RESEARCH FOR STRUCTURAL ALIGNMENT
TARGET CDK7_HUMAN (atomeDB@cbs.cnrs.fr)
AUTHOR Atome2 (http://atome.cbs.cnrs.fr/ATOME_V3/PK_HUMAN_I60_2019M5/CDK7_HUMAN/atome.html)
AUTHOR Pons & Labesse - Nucleic Acids Research, 2009 Jul 1-37 
METHOD Consensus of structural alignment (SA) research (Psiblast,Fugue,HHSearch,SP3)
METHOD Evaluation by SA & 3D criteria. Annotation & ligands information   

# Rank=1;Atome_Score=93.27;
# Template:1UA2;D;287(13-311);Experiment=X-ray;
# Alignment:HHSearch=100.00;Identity=100%;Tcoffee_Score=88;
# 3D:Tito_Score=-115.46;Qmean_Score=0.441;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK7_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.23;Taxonomy=HEbav;
# Ligand:ATP_H_8;Weight=507.183;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00002;Score:1;BSite=C1_S1;BSiteConservation=55/55;Info=ADENOSINE-5'-TRIPHOSPHATE;
>1UA2_D
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
------------EKLDFLGEGQFATVYKARDKNTNQIVAIKKI------------NRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPN-----------------------------------

# Rank=2;Atome_Score=92.88;
# Template:1UA2;D;286(13-311);Experiment=X-ray;
# Alignment:PsiBlast=709;Identity=99%;Tcoffee_Score=88;
# 3D:Tito_Score=-115.46;Qmean_Score=0.441;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK7_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.23;Taxonomy=HEbav;
# Ligand:ATP_H_8;Weight=507.183;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00002;Score:1;BSite=C1_S1;BSiteConservation=55/55;Info=ADENOSINE-5'-TRIPHOSPHATE;
>1UA2_D
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
------------EKLDFLGEGQFATVYKARDKNTNQIVAIKKI------------NRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPN-----------------------------------

# Rank=3;Atome_Score=92.81;
# Template:1UA2;A;287(13-311);Experiment=X-ray;
# Alignment:PsiBlast=714;Identity=99%;Tcoffee_Score=88;
# 3D:Tito_Score=-114.13;Qmean_Score=0.435;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK7_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.23;Taxonomy=HEbav;
# Ligand:ATP_E_5;Weight=507.183;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00002;Score:1;BSite=C1_S1;BSiteConservation=53/53;Info=ADENOSINE-5'-TRIPHOSPHATE;
>1UA2_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
------------EKLDFLGEGQFATVYKARDKNTNQIVAIKKI------------NRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPN-----------------------------------

# Rank=4;Atome_Score=92.41;
# Template:1UA2;C;286(13-311);Experiment=X-ray;
# Alignment:PsiBlast=709;Identity=99%;Tcoffee_Score=88;
# 3D:Tito_Score=-112.90;Qmean_Score=0.414;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK7_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.23;Taxonomy=HEbav;
# Ligand:ATP_G_7;Weight=507.183;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00002;Score:1;BSite=C1_S1;BSiteConservation=57/57;Info=ADENOSINE-5'-TRIPHOSPHATE;
>1UA2_C
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
------------EKLDFLGEGQFATVYKARDKNTNQIVAIKKI------------NRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPN-----------------------------------

# Rank=5;Atome_Score=91.08;
# Template:1UA2;B;286(13-311);Experiment=X-ray;
# Alignment:PsiBlast=709;Identity=99%;Tcoffee_Score=88;
# 3D:Tito_Score=-112.48;Qmean_Score=0.392;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK7_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.23;Taxonomy=HEbav;
# Ligand:ATP_F_6;Weight=507.183;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00002;Score:1;BSite=C1_S1;BSiteConservation=59/59;Info=ADENOSINE-5'-TRIPHOSPHATE;
>1UA2_B
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
------------EKLDFLGEGQFATVYKARDKNTNQIVAIKKI------------NRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPN-----------------------------------

# Rank=6;Atome_Score=75.95;
# Template:1V0B;A;285(2-286);Experiment=X-ray;
# Alignment:HHSearch=100.00;Identity=42%;Tcoffee_Score=73;
# 3D:Tito_Score=-105.22;Qmean_Score=0.460;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDC2H_PLAFK;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.23;Taxonomy=HEbav;
>1V0B_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVT-FKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------EKYHGLEKIGEGTYGVVYKAQNN-YGETFALKKIRLEKE---DEGIPSTTIREISILKELKHSNIVKLYDVIHTKKRLVLVFEHLDQDLKKLLDVCEGGLESVTAKSFLLQLLNGIAYCHDRRVLHRDLKPQNLLINREGELKIADFGLARAFGIPVRKYTHEVVTLWYRAPDVLMGSKKYSTTIDIWSVGCIFAEMVNGAPLFPGVSEADQLMRIFRILGTPNSKNWPNVTELPKYDPNFTVYEPLPWESFLKGLDESGIDLLSKMLKLDPNQRITAKQALEHAYFKE-------------------------------------------------

# Rank=7;Atome_Score=75.85;
# Template:2BKZ;A;297(7-303);Experiment=X-ray;
# Alignment:PsiBlast=277;Identity=44%;Tcoffee_Score=77;
# 3D:Tito_Score=-58.91;Qmean_Score=0.483;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:SBC_A_7;Weight=356.358;Procognate=Base:Cath,Pfam,;Kegg:C00008;Score:0.13;BSite=C1_S1;BSiteConservation=28/45;Info=1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE;
>2BKZ_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETE---GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------

# Rank=8;Atome_Score=75.70;
# Template:5OSJ;A;292(7-301);Experiment=X-ray;
# Alignment:PsiBlast=273;Identity=44%;Tcoffee_Score=75;
# 3D:Tito_Score=-56.53;Qmean_Score=0.502;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:AAK_A_2;Weight=290.357;Procognate=None;BSite=C1_S6;BSiteConservation=10/24;Info=~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate;
>5OSJ_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLD---E---GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHL-----------------------------------------

# Rank=9;Atome_Score=75.60;
# Template:2BPM;A;297(7-303);Experiment=X-ray;
# Alignment:PsiBlast=277;Identity=44%;Tcoffee_Score=77;
# 3D:Tito_Score=-48.62;Qmean_Score=0.492;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:529_A_7;Weight=337.380;Procognate=Base:Cath,Pfam,;Kegg:C00017;Score:0.16;BSite=C1_S1;BSiteConservation=23/41;Info=(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE;
>2BPM_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETE---GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------

# Rank=10;Atome_Score=75.53;
# Template:2C4G;A;296(7-302);Experiment=X-ray;
# Alignment:PsiBlast=277;Identity=44%;Tcoffee_Score=77;
# 3D:Tito_Score=-50.54;Qmean_Score=0.492;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:514_A_7;Weight=267.267;Procognate=Base:Cath,Pfam,;Kegg:C00017;Score:0.24;BSite=C1_S1;BSiteConservation=25/43;Info=(3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM;
>2C4G_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETE---GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLR----------------------------------------

# Rank=11;Atome_Score=75.35;
# Template:2WIH;A;297(7-303);Experiment=X-ray;
# Alignment:PsiBlast=277;Identity=44%;Tcoffee_Score=77;
# 3D:Tito_Score=-50.91;Qmean_Score=0.480;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:P48_A_5;Weight=460.581;Procognate=None;BSite=C1_S1;BSiteConservation=30/50;Info=N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE;
>2WIH_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETE---GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------

# Rank=12;Atome_Score=75.16;
# Template:1VYW;A;297(7-303);Experiment=X-ray;
# Alignment:PsiBlast=277;Identity=44%;Tcoffee_Score=77;
# 3D:Tito_Score=-51.33;Qmean_Score=0.472;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:292_A_7;Weight=291.352;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00017;Score:0.18;BSite=C1_S1;BSiteConservation=23/40;Info=N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE;
>1VYW_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETE---GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------

# Rank=13;Atome_Score=75.03;
# Template:2WPA;A;297(7-303);Experiment=X-ray;
# Alignment:PsiBlast=277;Identity=44%;Tcoffee_Score=77;
# 3D:Tito_Score=-52.47;Qmean_Score=0.477;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:889_A_6;Weight=361.486;Procognate=None;BSite=C1_S1;BSiteConservation=30/47;Info=N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE;
>2WPA_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETE---GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------

# Rank=14;Atome_Score=74.90;
# Template:2WXV;A;297(7-303);Experiment=X-ray;
# Alignment:PsiBlast=277;Identity=44%;Tcoffee_Score=77;
# 3D:Tito_Score=-51.52;Qmean_Score=0.474;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:WXV_A_5;Weight=417.485;Procognate=None;BSite=C1_S1;BSiteConservation=28/48;Info=N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE;
>2WXV_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETE---GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------

# Rank=15;Atome_Score=74.31;
# Template:5OO0;A;288(7-301);Experiment=X-ray;
# Alignment:PsiBlast=273;Identity=44%;Tcoffee_Score=77;
# 3D:Tito_Score=-58.58;Qmean_Score=0.482;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:9YZ_A_2;Weight=248.278;Procognate=None;BSite=C1_S6;BSiteConservation=10/24;Info=methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate;
>5OO0_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----------VPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHL-----------------------------------------

# Rank=16;Atome_Score=72.90;
# Template:6Q4G;A;281(10-306);Experiment=?;
# Alignment:PsiBlast=274;Identity=45%;Tcoffee_Score=73;
# 3D:Tito_Score=-55.00;Qmean_Score=0.502;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=?;Cath=?;Smart=?;Prosite=?;Pfam=?;EC=?;Taxonomy=?;
# Ligand:HJK_A_2;Weight=269.259;Procognate=None;BSite=C1_S1;BSiteConservation=28/44;Info=2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid;
>6Q4G_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFEKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLD---------PSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFG----------VTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------

# Rank=17;Atome_Score=72.80;
# Template:1BUH;A;286(2-294);Experiment=X-ray;
# Alignment:PsiBlast=273;Identity=44%;Tcoffee_Score=75;
# 3D:Tito_Score=-55.27;Qmean_Score=0.475;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
>1BUH_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDT----------TAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVP-------------------------------------------

# Rank=18;Atome_Score=72.65;
# Template:1FIN;A;297(2-298);Experiment=X-ray;
# Alignment:PsiBlast=273;Identity=44%;Tcoffee_Score=77;
# 3D:Tito_Score=-49.67;Qmean_Score=0.433;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:ATP_E_5;Weight=507.183;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00002;Score:1;BSite=C1_S1;BSiteConservation=29/46;Info=ADENOSINE-5'-TRIPHOSPHATE;
>1FIN_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETE---GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------

# Rank=19;Atome_Score=72.63;
# Template:1FVT;A;281(2-298);Experiment=X-ray;
# Alignment:PsiBlast=273;Identity=44%;Tcoffee_Score=76;
# 3D:Tito_Score=-57.49;Qmean_Score=0.494;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:106_A_2;Weight=393.214;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00017;Score:0.17;BSite=C1_S1;BSiteConservation=27/48;Info=4-(5-BROMO-2-OXO-2H-INDOL-3-YLAZO)-BENZENESULFONAMIDE;
>1FVT_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----------VPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFG---------VVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------

# Rank=20;Atome_Score=72.34;
# Template:1CKP;A;278(2-298);Experiment=X-ray;
# Alignment:PsiBlast=273;Identity=44%;Tcoffee_Score=77;
# 3D:Tito_Score=-64.98;Qmean_Score=0.459;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:EDO_A_3;Weight=62.068;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00017;Score:0.25;BSite=C1_S1;BSiteConservation=22/30;Info=1,2-ETHANEDIOL;
# Ligand:PVB_A_2;Weight=432.909;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00008;Score:0.27;BSite=C1_S1;BSiteConservation=24/40;Info=PURVALANOL B;
>1CKP_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKI-----------VPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAF-----------VTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------

# Rank=21;Atome_Score=71.60;
# Template:2WIP;A;292(7-303);Experiment=X-ray;
# Alignment:PsiBlast=277;Identity=44%;Tcoffee_Score=74;
# 3D:Tito_Score=-52.85;Qmean_Score=0.452;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=CDK2_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.22;Taxonomy=HEbav;
# Ligand:P49_A_5;Weight=321.338;Procognate=None;BSite=C1_S1;BSiteConservation=25/39;Info=1-METHYL-8-(PHENYLAMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXYLIC ACID;
>2WIP_A
MALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGHRSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTP-SHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYV-TFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF
---------ENFQKVEKIG-----VVYKARNKLTGEVVALKKIRLDTETE---GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL---------------------------------------