Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
PK_HUMAN_I30_2020M9 (2020 - 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]
1AAK1_HUMAN23 100% 0.18 PF00069 C4_S126 - (0)18 3 / 18 / 1 9
2AAPK1_HUMAN443 99% 0.36 PF00069 C5_S1519 - (91)20 34 / 233 / 162 140
3AAPK2_HUMAN448 100% 0.42 PF00069 C3_S1558 - (95)20 28 / 174 / 183 137
4ABL1_HUMAN507 100% 0.32 PF00018 C4_S1596 - (30)20 163 / 224 / 116 131
5ABL2_HUMAN504 100% 0.33 PF00018 C5_S1582 - (32)20 157 / 225 / 120 130
6ACK1_HUMAN365 100% 0.16 PF00018 C5_S1424 - (62)20 98 / 147 / 111 58
7ACV1B_HUMAN80 90% 0.36 PF08515 C1_S170 - (11)20 - / 30 / 28 10
8ACV1C_HUMAN83 84% 0.30 PF08515 C2_S199 - (3)20 1 / 49 / 13 24
9ACVL1_HUMAN106 99% 0.31 PF08515 C1_S1126 - (0)20 5 / 69 / 20 43
10ACVR1_HUMAN93 100% 0.28 PF08515 C1_S1128 - (3)20 5 / 74 / 11 42
11ADCK3_HUMAN16 100% 0.36 PF03109 C5_S110 - (0)3 - / - / 3 1
12ADCK4_HUMAN13 61% 0.41 PF03109 C4_S110 - (0)3 - / - / 3 1
13AKT1_HUMAN444 100% 0.45 PF00069 C2_S1605 - (107)20 45 / 241 / 138 202
14AKT2_HUMAN443 99% 0.45 PF00069 C2_S1620 - (108)20 53 / 245 / 137 198
15AKT3_HUMAN447 87% 0.46 PF00069 C1_S1556 - (117)20 28 / 240 / 162 181
16ALK_HUMAN391 100% 0.10 PF00018 C2_S1459 - (57)20 98 / 176 / 99 94
17ALPK1_HUMAN18 100% 0.19 PF02816 C3_S13 - (3)? - / - / - 0
18ALPK2_HUMAN11 27% 0.04 PF16519 C2_S19 - (9)1 - / - / 1 0
19ALPK3_HUMAN11 22% 0.04 PF16519 C3_S19 - (9)? - / - / - 0
20AMHR2_HUMAN33 42% 0.27 PF08515 C1_S144 - (0)99 - / 9 / 21 24
21ANKK1_HUMAN100 45% 0.16 PF07714 C5_S1101 - (7)58 8 / 46 / 43 75
22ARAF_HUMAN188 77% 0.27 PF02196 C3_S1222 - (10)20 85 / 67 / 20 69
23ARBK1_HUMAN152 100% 0.49 PF00615 C2_S1206 - (45)20 4 / 63 / 70 45
24ARBK2_HUMAN145 85% 0.48 PF00615 C1_S1250 - (47)20 5 / 58 / 68 41
25ATM_HUMAN20 100% 0.22 PF00454 C1_S10 - (0)? - / - / - 0
26ATR_HUMAN20 100% 0.00 PF00454 C3_S13 - (2)1 - / - / - 0
27AURKA_HUMAN374 100% 0.36 PF00069 C1_S1488 - (101)20 29 / 231 / 105 163
28AURKB_HUMAN415 99% 0.44 PF00069 C1_S1511 - (115)20 28 / 231 / 153 196
29AURKC_HUMAN408 98% 0.49 PF00069 C1_S1533 - (108)20 27 / 209 / 153 195
30AVR2A_HUMAN235 100% 0.29 PF02196 C4_S1300 - (13)20 47 / 124 / 60 57
31AVR2B_HUMAN129 98% 0.29 PF08515 C2_S1178 - (13)20 4 / 91 / 36 45
32BAZ1B_HUMAN16 35% 0.05 PF01342 C6_S15 - (0)? - / - / - 0
33BCR_HUMAN14 41% 0.08 PF00620 C3_S113 - (0)1 - / - / - 0
34BLK_HUMAN508 75% 0.43 PF00018 C3_S1597 - (31)20 179 / 214 / 109 209
35BMP2K_HUMAN37 99% 0.14 PF00069 C1_S154 - (6)51 3 / 14 / 14 22
36BMPR2_HUMAN129 100% 0.17 PF08515 C4_S1171 - (7)20 18 / 78 / 29 30
37BMR1A_HUMAN167 86% 0.31 PF08515 C1_S1219 - (6)20 4 / 110 / 38 49
38BMR1B_HUMAN111 100% 0.31 PF08515 C1_S1146 - (3)20 5 / 67 / 23 44
39BMX_HUMAN513 98% 0.26 PF00018 C1_S1586 - (32)20 167 / 234 / 103 198
40BRAF_HUMAN176 100% 0.22 PF02196 C3_S1209 - (6)20 91 / 51 / 15 67
41BRSK1_HUMAN398 83% 0.25 PF00069 C2_S1453 - (56)19 12 / 160 / 199 101
42BRSK2_HUMAN420 99% 0.24 PF00069 C2_S1523 - (46)18 17 / 199 / 185 92
43BTK_HUMAN502 100% 0.36 PF00018 C3_S1546 - (31)20 181 / 209 / 106 213
44BUB1_HUMAN16 100% 0.20 PF00069 C5_S111 - (0)19 2 / 5 / 4 11
45BUB1B_HUMAN10 100% 0.14 PF08311 C11_S12 - (0)1 - / - / 2 1
46CD11A_HUMAN476 45% 0.20 PF00069 C1_S1527 - (43)20 1 / 117 / 339 209
47CD11B_HUMAN477 45% 0.20 PF00069 C1_S1527 - (43)20 1 / 118 / 337 215
48CDC7_HUMAN16 100% 0.17 PF00069 C3_S14 - (0)? - / 3 / 12 15
49CDK10_HUMAN509 46% 0.40 PF00069 C1_S1555 - (46)20 3 / 235 / 267 303
50CDK12_HUMAN510 100% 0.12 PF00069 C3_S1549 - (45)20 7 / 262 / 228 172

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