Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
PK_HUMAN_I90_2019M4 (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_HUMAN5 100% 0.18 PF00069 C1_S15 - (0)14 2 / 3 / - 3
2AAPK1_HUMAN3 99% 0.36 PF00069 C1_S13 - (0)2 1 / 2 / - 1
3AAPK2_HUMAN3 99% 0.36 PF00069 C1_S13 - (0)4 - / 3 / - 3
4ABL1_HUMAN95 100% 0.33 PF00018 C1_S1103 - (8)20 59 / 30 / 6 29
5ABL2_HUMAN85 100% 0.19 PF00018 C1_S196 - (8)20 49 / 29 / 7 27
6ACK1_HUMAN13 100% 0.15 PF14604 C1_S113 - (2)15 6 / 3 / 4 7
7ACV1B_HUMAN1 90% 0.29 PF08515 C1_S11 - (0)15 - / 1 / - 1
8ACVR1_HUMAN27 99% 0.28 PF08515 C1_S132 - (0)20 - / 27 / - 12
9AKT1_HUMAN15 99% 0.36 PF00433 C1_S117 - (0)15 3 / 11 / 1 12
10AKT2_HUMAN12 99% 0.37 PF00433 C1_S113 - (2)20 2 / 10 / - 10
11ALK_HUMAN47 100% 0.10 PF07714 C1_S149 - (0)20 12 / 31 / 2 35
12ARBK1_HUMAN18 100% 0.49 PF00615 C1_S118 - (0)18 2 / 15 / 1 16
13AURKA_HUMAN162 100% 0.35 PF00069 C1_S1190 - (54)20 18 / 115 / 29 87
14AURKB_HUMAN1 99% 0.40 PF00069 C1_S11 - (0)18 - / 1 / - 1
15AVR2A_HUMAN6 100% 0.30 PF00069 C2_S110 - (0)18 - / 4 / 2 3
16AVR2B_HUMAN1 98% 0.29 PF00069 C2_S11 - (0)16 - / - / 1 1
17BMP2K_HUMAN7 99% 0.14 PF00069 C1_S18 - (0)13 - / 7 / - 5
18BMR1B_HUMAN2 100% 0.31 PF08515 C1_S12 - (0)17 - / 2 / - 1
19BMX_HUMAN3 98% 0.23 PF00017 C1_S13 - (0)20 - / 3 / - 2
20BRAF_HUMAN96 100% 0.21 PF02196 C1_S199 - (0)20 53 / 39 / 4 45
21BTK_HUMAN69 100% 0.28 PF00018 C1_S175 - (0)20 35 / 28 / 6 60
22BUB1_HUMAN2 100% 0.20 -C1_S12 - (0)2 1 / 1 / - 2
23CDK12_HUMAN11 99% 0.12 PF00069 C1_S116 - (0)13 1 / 10 / - 5
24CDK13_HUMAN9 99% 0.12 PF00069 C1_S113 - (0)13 1 / 8 / - 5
25CDK16_HUMAN2 99% 0.30 PF00069 C1_S13 - (0)15 2 / - / - 1
26CDK19_HUMAN8 93% 0.38 PF00069 C1_S116 - (0)20 - / 8 / - 8
27CDK1_HUMAN7 100% 0.51 PF00069 C1_S17 - (0)17 - / 6 / - 5
28CDK2_HUMAN424 100% 0.80 PF00069 C1_S1464 - (31)20 4 / 233 / 183 289
29CDK5_HUMAN5 100% 0.52 PF00069 C1_S15 - (0)16 - / 2 / 3 4
30CDK6_HUMAN8 100% 0.59 PF00069 C1_S18 - (0)8 1 / 6 / 1 8
31CDK7_HUMAN4 99% 0.43 PF00069 C1_S14 - (4)17 - / 3 / 1 1
32CDK8_HUMAN23 100% 0.43 PF00069 C1_S137 - (0)20 3 / 14 / 4 21
33CDK9_HUMAN9 99% 0.43 PF00069 C1_S19 - (0)10 - / 5 / 4 9
34CDKL1_HUMAN3 98% 0.42 PF00069 C1_S13 - (0)19 - / 3 / - 1
35CDKL2_HUMAN3 99% 0.33 PF00069 C1_S15 - (0)17 - / 2 / 1 2
36CDKL3_HUMAN1 99% 0.28 PF00069 C1_S11 - (0)16 - / 1 / - 1
37CDKL5_HUMAN1 99% 0.14 PF00069 C1_S11 - (0)15 - / 1 / - 1
38CHK1_HUMAN103 100% 0.27 PF00069 C2_S1105 - (0)20 3 / 62 / 38 94
39CHK2_HUMAN30 100% 0.28 PF00069 C1_S136 - (1)20 1 / 16 / 13 30
40CLK1_HUMAN24 99% 0.38 PF00069 C1_S137 - (0)20 5 / 15 / 4 13
41CLK2_HUMAN10 100% 0.35 PF00069 C1_S110 - (0)20 - / 9 / 1 5
42CLK3_HUMAN8 100% 0.26 PF00069 C1_S19 - (0)19 - / 6 / 1 6
43CLK4_HUMAN1 100% 0.38 PF00069 C1_S11 - (0)20 - / 1 / - 1
44CSK21_HUMAN113 100% 0.67 PF00069 C1_S1156 - (0)18 14 / 48 / 42 54
45CSK22_HUMAN16 100% 0.73 PF00069 C1_S121 - (0)20 1 / 10 / 5 8
46CSK23_HUMAN110 99% 0.66 PF00069 C1_S1152 - (0)20 14 / 48 / 41 54
47CSK_HUMAN2 99% 0.34 PF00018 C1_S12 - (0)15 - / 2 / - 1
48CSKP_HUMAN8 100% 0.20 PF07653 C2_S18 - (0)15 - / - / 8 3
49DAPK1_HUMAN42 100% 0.12 PF00069 C1_S143 - (20)20 1 / 12 / 24 19
50DAPK2_HUMAN6 99% 0.43 PF00069 C1_S16 - (0)11 - / - / 6 2

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