Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
PK_HUMAN_I60_2019M5 (2019 - Homo sapiens - Protein Kinase family)

Download : Data.csv | 3D Common Core | 3D Models | DB.fasta


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1CDK3_HUMAN446 78% 0.57 PF00069 C1_S1487 - (34)20 4 / 245 / 191 292
2CDK1_HUMAN442 100% 0.51 PF00069 C1_S1482 - (35)20 4 / 242 / 191 289
3CDK2_HUMAN439 100% 0.81 PF00069 C1_S1479 - (33)20 4 / 244 / 185 289
4MK12_HUMAN196 99% 0.49 PF00069 C1_S1214 - (1)20 59 / 103 / 38 164
5HCK_HUMAN195 100% 0.68 PF00018 C4_S1207 - (19)20 56 / 87 / 50 107
6MK14_HUMAN195 100% 0.78 PF00069 C1_S1215 - (0)20 81 / 92 / 22 163
7MK11_HUMAN194 99% 0.48 PF00069 C1_S1214 - (0)20 80 / 92 / 21 162
8LCK_HUMAN189 100% 0.56 PF00018 C3_S1201 - (16)20 56 / 85 / 46 103
9LYN_HUMAN189 100% 0.48 PF00018 C4_S1201 - (16)20 54 / 86 / 47 103
10MK13_HUMAN187 100% 0.52 PF00069 C1_S1204 - (1)20 55 / 96 / 37 160
11AURKB_HUMAN186 99% 0.43 PF00069 C1_S1208 - (58)20 17 / 124 / 45 96
12AURKC_HUMAN185 84% 0.52 PF00069 C1_S1208 - (58)20 16 / 123 / 46 95
13CSK21_HUMAN178 100% 0.67 PF00069 C1_S1255 - (37)18 15 / 73 / 80 94
14CSK23_HUMAN175 99% 0.66 PF00069 C1_S1251 - (37)20 15 / 73 / 79 94
15AURKA_HUMAN168 100% 0.36 PF00069 C1_S1197 - (57)20 19 / 119 / 30 89
16CSK22_HUMAN159 100% 0.68 PF00069 C1_S1200 - (32)20 6 / 75 / 72 83
17BLK_HUMAN152 75% 0.43 PF00018 C2_S1160 - (14)20 45 / 69 / 36 87
18FGFR2_HUMAN146 100% 0.21 PF07714 C4_S1173 - (39)20 28 / 62 / 52 47
19FGFR3_HUMAN146 98% 0.22 PF07714 C4_S1173 - (39)20 28 / 62 / 52 47
20FGFR1_HUMAN145 100% 0.21 PF07714 C6_S1172 - (38)20 28 / 62 / 51 47
21FGFR4_HUMAN144 100% 0.22 PF07714 C4_S1171 - (37)20 22 / 63 / 58 48
22MK01_HUMAN143 100% 0.78 PF00069 C1_S1183 - (24)20 19 / 65 / 54 110
23PIM3_HUMAN141 76% 0.44 PF00069 C1_S1161 - (9)20 - / 80 / 62 120
24EGFR_HUMAN135 100% 0.14 PF01030 C5_S1149 - (27)141 23 / 79 / 35 70
25MK03_HUMAN134 100% 0.69 PF00069 C1_S1175 - (21)20 18 / 62 / 53 104
26FGR_HUMAN133 80% 0.52 PF00018 C1_S1140 - (11)20 34 / 65 / 34 76
27YES_HUMAN133 90% 0.68 PF00018 C3_S1140 - (11)20 34 / 63 / 34 76
28FYN_HUMAN132 85% 0.50 PF00018 C3_S1139 - (11)20 33 / 64 / 34 76
29SRC_HUMAN127 100% 0.69 PF00018 C3_S1134 - (11)20 34 / 59 / 33 75
30TEC_HUMAN126 67% 0.21 PF00018 C3_S1141 - (1)20 36 / 68 / 22 92
31JAK2_HUMAN118 99% 0.14 PF00017 C1_S1128 - (0)20 6 / 88 / 24 79
32PIM1_HUMAN116 100% 0.37 PF00069 C2_S1132 - (9)20 - / 63 / 52 101
33TXK_HUMAN108 66% 0.25 PF00018 C1_S1121 - (1)20 25 / 63 / 22 77
34CHK1_HUMAN103 100% 0.31 PF00069 C4_S1105 - (1)20 3 / 62 / 38 94
35ABL2_HUMAN99 100% 0.33 PF00018 C6_S1110 - (9)20 58 / 33 / 8 30
36BRAF_HUMAN98 100% 0.21 PF02196 C3_S1101 - (0)20 53 / 40 / 5 45
37ARAF_HUMAN98 77% 0.23 PF02196 C2_S1101 - (0)20 52 / 41 / 4 45
38RAF1_HUMAN98 100% 0.18 PF02196 C3_S1101 - (0)20 51 / 42 / 5 45
39GSK3B_HUMAN98 100% 0.72 PF00069 C1_S1101 - (11)20 3 / 51 / 42 47
40GSK3A_HUMAN97 89% 0.56 PF00069 C2_S1100 - (11)20 3 / 49 / 44 48
41ABL1_HUMAN96 100% 0.32 PF00018 C4_S1104 - (9)20 58 / 31 / 7 30
42KAPCB_HUMAN91 93% 0.82 PF00069 C1_S1100 - (23)19 8 / 45 / 37 64
43EPHB1_HUMAN83 98% 0.17 PF00536 C2_S190 - (16)20 10 / 49 / 23 55
44EPHB3_HUMAN83 99% 0.17 PF00536 C3_S188 - (16)20 11 / 46 / 24 54
45EPHA2_HUMAN82 100% 0.18 PF00536 C3_S190 - (16)20 10 / 47 / 24 54
46EPHA4_HUMAN82 99% 0.21 PF00536 C2_S192 - (16)20 10 / 47 / 23 53
47EPHA5_HUMAN81 88% 0.17 PF00536 C2_S189 - (16)20 10 / 45 / 24 52
48EPHB4_HUMAN81 100% 0.18 PF00536 C2_S188 - (16)20 9 / 48 / 22 54
49EPHA6_HUMAN81 77% 0.17 PF00536 C2_S188 - (16)20 10 / 44 / 25 53
50EPHA7_HUMAN81 100% 0.18 PF00536 C2_S188 - (16)20 8 / 21 / 51 54

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