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]
1EGFR_HUMAN135 100% 0.14 PF01030 C5_S1149 - (27)141 23 / 79 / 35 70
2DYR1B_HUMAN11 83% 0.29 PF00069 C1_S117 - (0)104 - / 11 / - 6
3ERN1_HUMAN5 100% 0.21 PF06479 C6_S15 - (0)32 1 / 4 / - 3
4FLT3_HUMAN16 99% 0.15 PF07714 C4_S116 - (2)20 - / 6 / 7 9
5FAK2_HUMAN30 100% 0.16 PF07714 C3_S131 - (4)20 7 / 15 / 8 24
6EPHA1_HUMAN43 62% 0.17 PF00536 C4_S148 - (5)20 5 / 30 / 8 33
7MP2K2_HUMAN51 87% 0.47 PF00069 C1_S184 - (43)20 7 / 39 / 11 22
8KS6A6_HUMAN13 88% 0.23 PF00433 C1_S113 - (2)20 - / 11 / 2 12
9CDKL5_HUMAN2 99% 0.14 PF00069 C1_S12 - (0)20 - / 2 / - 1
10MK09_HUMAN50 98% 0.39 PF00069 C1_S154 - (4)20 14 / 25 / 10 40
11CDK1_HUMAN442 100% 0.51 PF00069 C1_S1482 - (35)20 4 / 242 / 191 289
12MK08_HUMAN50 100% 0.39 PF00069 C1_S152 - (4)20 10 / 29 / 10 40
13EPHA4_HUMAN82 99% 0.21 PF00536 C2_S192 - (16)20 10 / 47 / 23 53
14MK01_HUMAN143 100% 0.78 PF00069 C1_S1183 - (24)20 19 / 65 / 54 110
15NTRK1_HUMAN33 100% 0.21 PF18613 C6_S139 - (0)20 19 / 13 / 1 26
16KPCI_HUMAN8 100% 0.36 PF00433 C2_S112 - (6)20 - / 7 / 1 5
17DDR1_HUMAN21 100% 0.20 PF07714 C2_S124 - (0)20 16 / 5 / - 13
18JAK2_HUMAN118 99% 0.14 PF00017 C1_S1128 - (0)20 6 / 88 / 24 79
19DMPK_HUMAN2 62% 0.35 PF00433 C3_S14 - (0)20 - / 1 / - 1
20VRK1_HUMAN33 97% 0.42 PF00069 C1_S133 - (0)20 - / 27 / 6 14
21TAOK1_HUMAN6 89% 0.18 PF00069 C2_S16 - (3)20 3 / - / 3 2
22KC1G3_HUMAN12 100% 0.34 PF00069 C1_S115 - (0)20 - / 11 / 1 11
23HCK_HUMAN195 100% 0.68 PF00018 C4_S1207 - (19)20 56 / 87 / 50 107
24KPCG_HUMAN3 75% 0.36 PF00433 C2_S13 - (2)20 - / 1 / 2 2
25BMX_HUMAN79 98% 0.23 PF00018 C1_S185 - (0)20 33 / 37 / 9 64
26PIM1_HUMAN116 100% 0.37 PF00069 C2_S1132 - (9)20 - / 63 / 52 101
27VGFR2_HUMAN47 100% 0.14 PF07714 C6_S152 - (0)20 35 / 12 / - 34
28GRK6_HUMAN14 100% 0.53 PF00615 C1_S114 - (13)20 1 / 1 / 12 5
29PAK1_HUMAN33 100% 0.30 PF00069 C1_S139 - (3)20 7 / 21 / 5 21
30KPCD_HUMAN6 73% 0.29 PF00433 C1_S110 - (0)20 3 / 3 / - 4
31MAPK3_HUMAN21 100% 0.39 PF00069 C1_S121 - (1)20 - / 18 / 3 13
32KCC2G_HUMAN20 99% 0.26 PF00069 C2_S125 - (3)20 4 / 12 / 4 10
33GSK3A_HUMAN97 89% 0.56 PF00069 C2_S1100 - (11)20 3 / 49 / 44 48
34IGF1R_HUMAN37 100% 0.18 PF01030 C3_S137 - (9)20 4 / 24 / 9 22
35TXK_HUMAN108 66% 0.25 PF00018 C1_S1121 - (1)20 25 / 63 / 22 77
36KS6A1_HUMAN13 100% 0.25 PF00433 C2_S113 - (2)20 - / 11 / 2 12
37PAK6_HUMAN37 100% 0.22 PF00069 C2_S157 - (10)20 1 / 22 / 14 20
38PAK7_HUMAN33 99% 0.24 PF00069 C2_S152 - (7)20 1 / 21 / 10 19
39CDK3_HUMAN446 78% 0.57 PF00069 C1_S1487 - (34)20 4 / 245 / 191 292
40ROS1_HUMAN4 100% 0.06 -C1_S14 - (0)20 - / 4 / - 2
41RAF1_HUMAN98 100% 0.18 PF02196 C3_S1101 - (0)20 51 / 42 / 5 45
42EPHA3_HUMAN80 100% 0.18 PF00536 C1_S187 - (16)20 10 / 45 / 23 52
43PDPK2_HUMAN49 100% 0.39 PF00069 C2_S166 - (20)20 5 / 26 / 17 29
44TGFR1_HUMAN55 100% 0.35 PF08515 C1_S166 - (0)20 3 / 43 / 8 32
45JAK1_HUMAN33 100% 0.15 PF07714 C2_S138 - (0)20 - / 24 / 9 17
46IRAK1_HUMAN3 100% 0.22 PF00069 C1_S13 - (0)20 - / 3 / - 1
47KPCZ_HUMAN8 84% 0.38 PF00433 C3_S110 - (6)20 - / 7 / 1 5
48ACV1C_HUMAN55 84% 0.31 PF08515 C1_S165 - (0)20 4 / 44 / 6 32
49MET_HUMAN77 100% 0.13 PF01833 C3_S190 - (3)20 54 / 19 / 2 58
50MERTK_HUMAN31 100% 0.17 PF07714 C5_S131 - (4)20 - / 23 / 8 15

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