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]
1AAK1_HUMAN16 100% 0.18 PF00069 C3_S118 - (0)16 3 / 13 / - 8
2AAPK1_HUMAN16 99% 0.36 PF00069 C4_S116 - (0)5 10 / 6 / - 3
3AAPK2_HUMAN16 99% 0.36 PF00069 C3_S116 - (0)6 10 / 6 / - 3
4ABL1_HUMAN96 100% 0.32 PF00018 C4_S1104 - (9)20 58 / 31 / 7 30
5ABL2_HUMAN99 100% 0.33 PF00018 C6_S1110 - (9)20 58 / 33 / 8 30
6ACK1_HUMAN14 100% 0.15 PF14604 C5_S114 - (2)20 6 / 4 / 4 7
7ACV1B_HUMAN55 90% 0.34 PF08515 C1_S167 - (0)20 3 / 43 / 8 32
8ACV1C_HUMAN55 84% 0.31 PF08515 C1_S165 - (0)20 4 / 44 / 6 32
9ACVL1_HUMAN53 79% 0.32 PF08515 C1_S160 - (0)20 5 / 42 / 6 32
10ACVR1_HUMAN55 100% 0.28 PF08515 C1_S162 - (0)20 3 / 46 / 5 32
11AKT1_HUMAN25 99% 0.36 PF00433 C2_S130 - (4)20 3 / 21 / 1 18
12AKT2_HUMAN35 99% 0.45 PF00433 C1_S139 - (4)20 11 / 22 / 2 29
13AKT3_HUMAN25 87% 0.39 PF00433 C1_S128 - (4)20 3 / 22 / 1 19
14ALK_HUMAN49 100% 0.10 PF07714 C1_S153 - (1)20 14 / 31 / 2 35
15ARAF_HUMAN98 77% 0.23 PF02196 C2_S1101 - (0)20 52 / 41 / 4 45
16ARBK1_HUMAN18 100% 0.49 PF00615 C2_S118 - (0)20 2 / 15 / 1 16
17ARBK2_HUMAN18 85% 0.48 PF00615 C1_S118 - (0)20 2 / 15 / 1 16
18AURKA_HUMAN168 100% 0.36 PF00069 C1_S1197 - (57)20 19 / 119 / 30 89
19AURKB_HUMAN186 99% 0.43 PF00069 C1_S1208 - (58)20 17 / 124 / 45 96
20AURKC_HUMAN185 84% 0.52 PF00069 C1_S1208 - (58)20 16 / 123 / 46 95
21AVR2A_HUMAN9 100% 0.30 PF00069 C1_S115 - (0)20 - / 5 / 4 4
22AVR2B_HUMAN9 98% 0.29 PF00069 C1_S117 - (0)20 - / 5 / 7 4
23BLK_HUMAN152 75% 0.43 PF00018 C2_S1160 - (14)20 45 / 69 / 36 87
24BMP2K_HUMAN16 99% 0.14 PF00069 C3_S119 - (0)16 3 / 13 / - 8
25BMR1A_HUMAN55 85% 0.31 PF08515 C1_S166 - (0)20 3 / 46 / 5 32
26BMR1B_HUMAN55 100% 0.31 PF08515 C1_S166 - (0)20 4 / 42 / 8 32
27BMX_HUMAN79 98% 0.23 PF00018 C1_S185 - (0)20 33 / 37 / 9 64
28BRAF_HUMAN98 100% 0.21 PF02196 C3_S1101 - (0)20 53 / 40 / 5 45
29BTK_HUMAN75 100% 0.28 PF00018 C3_S182 - (0)20 37 / 32 / 6 61
30BUB1_HUMAN3 100% 0.20 -C1_S13 - (0)2 2 / 1 / - 2
31CDC7_HUMAN2 100% 0.14 PF00069 C1_S12 - (0)6 - / 1 / 1 2
32CDK12_HUMAN12 99% 0.12 PF00069 C1_S118 - (6)19 1 / 11 / - 5
33CDK13_HUMAN12 100% 0.12 PF00069 C1_S118 - (6)20 1 / 11 / - 5
34CDK14_HUMAN1 61% 0.31 PF00069 C1_S12 - (0)18 1 / - / - 1
35CDK16_HUMAN3 99% 0.30 PF00069 C1_S15 - (0)20 3 / - / - 1
36CDK17_HUMAN3 81% 0.33 PF00069 C1_S15 - (0)20 3 / - / - 1
37CDK18_HUMAN3 78% 0.32 PF00069 C1_S15 - (0)20 3 / - / - 1
38CDK19_HUMAN21 93% 0.38 PF00069 C2_S135 - (0)20 3 / 14 / 2 19
39CDK1_HUMAN442 100% 0.51 PF00069 C1_S1482 - (35)20 4 / 242 / 191 289
40CDK2_HUMAN439 100% 0.81 PF00069 C1_S1479 - (33)20 4 / 244 / 185 289
41CDK3_HUMAN446 78% 0.57 PF00069 C1_S1487 - (34)20 4 / 245 / 191 292
42CDK4_HUMAN8 71% 0.51 PF00069 C1_S18 - (0)17 1 / 5 / 2 8
43CDK5_HUMAN10 100% 0.52 PF00069 C1_S110 - (0)20 - / 5 / 5 7
44CDK6_HUMAN8 100% 0.59 PF00069 C1_S18 - (0)19 1 / 6 / 1 8
45CDK7_HUMAN5 100% 0.44 PF00069 C1_S15 - (5)20 - / 4 / 1 1
46CDK8_HUMAN24 100% 0.43 PF00069 C2_S138 - (0)20 3 / 14 / 5 21
47CDK9_HUMAN9 99% 0.47 PF00069 C1_S19 - (2)20 - / 5 / 4 9
48CDKL1_HUMAN4 99% 0.42 PF00069 C1_S14 - (0)20 - / 4 / - 1
49CDKL2_HUMAN5 99% 0.33 PF00069 C1_S19 - (0)20 - / 3 / 2 2
50CDKL3_HUMAN2 99% 0.28 PF00069 C1_S12 - (0)20 - / 2 / - 1

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