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
5MK14_HUMAN195 100% 0.78 PF00069 C1_S1215 - (0)20 81 / 92 / 22 163
6MK11_HUMAN194 99% 0.48 PF00069 C1_S1214 - (0)20 80 / 92 / 21 162
7MK13_HUMAN187 100% 0.52 PF00069 C1_S1204 - (1)20 55 / 96 / 37 160
8PIM3_HUMAN141 76% 0.44 PF00069 C1_S1161 - (9)20 - / 80 / 62 120
9MK01_HUMAN143 100% 0.78 PF00069 C1_S1183 - (24)20 19 / 65 / 54 110
10HCK_HUMAN195 100% 0.68 PF00018 C4_S1207 - (19)20 56 / 87 / 50 107
11MK03_HUMAN134 100% 0.69 PF00069 C1_S1175 - (21)20 18 / 62 / 53 104
12LYN_HUMAN189 100% 0.48 PF00018 C4_S1201 - (16)20 54 / 86 / 47 103
13LCK_HUMAN189 100% 0.56 PF00018 C3_S1201 - (16)20 56 / 85 / 46 103
14PIM1_HUMAN116 100% 0.37 PF00069 C2_S1132 - (9)20 - / 63 / 52 101
15AURKB_HUMAN186 99% 0.43 PF00069 C1_S1208 - (58)20 17 / 124 / 45 96
16AURKC_HUMAN185 84% 0.52 PF00069 C1_S1208 - (58)20 16 / 123 / 46 95
17CSK23_HUMAN175 99% 0.66 PF00069 C1_S1251 - (37)20 15 / 73 / 79 94
18CSK21_HUMAN178 100% 0.67 PF00069 C1_S1255 - (37)18 15 / 73 / 80 94
19CHK1_HUMAN103 100% 0.31 PF00069 C4_S1105 - (1)20 3 / 62 / 38 94
20TEC_HUMAN126 67% 0.21 PF00018 C3_S1141 - (1)20 36 / 68 / 22 92
21AURKA_HUMAN168 100% 0.36 PF00069 C1_S1197 - (57)20 19 / 119 / 30 89
22BLK_HUMAN152 75% 0.43 PF00018 C2_S1160 - (14)20 45 / 69 / 36 87
23CSK22_HUMAN159 100% 0.68 PF00069 C1_S1200 - (32)20 6 / 75 / 72 83
24JAK2_HUMAN118 99% 0.14 PF00017 C1_S1128 - (0)20 6 / 88 / 24 79
25TXK_HUMAN108 66% 0.25 PF00018 C1_S1121 - (1)20 25 / 63 / 22 77
26YES_HUMAN133 90% 0.68 PF00018 C3_S1140 - (11)20 34 / 63 / 34 76
27FGR_HUMAN133 80% 0.52 PF00018 C1_S1140 - (11)20 34 / 65 / 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
30EGFR_HUMAN135 100% 0.14 PF01030 C5_S1149 - (27)141 23 / 79 / 35 70
31BMX_HUMAN79 98% 0.23 PF00018 C1_S185 - (0)20 33 / 37 / 9 64
32KAPCB_HUMAN91 93% 0.82 PF00069 C1_S1100 - (23)19 8 / 45 / 37 64
33BTK_HUMAN75 100% 0.28 PF00018 C3_S182 - (0)20 37 / 32 / 6 61
34KSYK_HUMAN71 100% 0.45 PF00017 C4_S178 - (3)20 6 / 60 / 5 58
35MET_HUMAN77 100% 0.13 PF01833 C3_S190 - (3)20 54 / 19 / 2 58
36EPHB1_HUMAN83 98% 0.17 PF00536 C2_S190 - (16)20 10 / 49 / 23 55
37EPHB4_HUMAN81 100% 0.18 PF00536 C2_S188 - (16)20 9 / 48 / 22 54
38EPHA2_HUMAN82 100% 0.18 PF00536 C3_S190 - (16)20 10 / 47 / 24 54
39EPHA8_HUMAN77 100% 0.15 PF00536 C4_S184 - (12)20 10 / 44 / 22 54
40EPHA7_HUMAN81 100% 0.18 PF00536 C2_S188 - (16)20 8 / 21 / 51 54
41EPHB3_HUMAN83 99% 0.17 PF00536 C3_S188 - (16)20 11 / 46 / 24 54
42EPHA6_HUMAN81 77% 0.17 PF00536 C2_S188 - (16)20 10 / 44 / 25 53
43EPHA4_HUMAN82 99% 0.21 PF00536 C2_S192 - (16)20 10 / 47 / 23 53
44EPHB2_HUMAN80 99% 0.17 PF00536 C1_S185 - (14)20 9 / 47 / 21 53
45EPHA5_HUMAN81 88% 0.17 PF00536 C2_S189 - (16)20 10 / 45 / 24 52
46EPHA3_HUMAN80 100% 0.18 PF00536 C1_S187 - (16)20 10 / 45 / 23 52
47ZAP70_HUMAN61 100% 0.23 PF00017 C2_S164 - (1)20 5 / 52 / 4 52
48GSK3A_HUMAN97 89% 0.56 PF00069 C2_S1100 - (11)20 3 / 49 / 44 48
49FGFR4_HUMAN144 100% 0.22 PF07714 C4_S1171 - (37)20 22 / 63 / 58 48
50GSK3B_HUMAN98 100% 0.72 PF00069 C1_S1101 - (11)20 3 / 51 / 42 47

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