Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
LIPK_CYS (2018 - Leishmania - Leishmania kinases with cystein in binding site)

Download : Data.csv | 3D Common Core | 3D Models


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]
1LINJ_35_172056 62% 0.56 PF00069 C1_S171 - (10)20 1 / 17 / 36 20
2LINJ_35_103049 71% 0.55 PF00069 C1_S161 - (0)20 - / 27 / 18 16
3LINJ_26_260035 35% 0.51 PF00069 C1_S131 - (5)16 - / 6 / 10 12
4LINJ_36_242035 36% 0.34 PF00069 C1_S137 - (9)18 - / 4 / 14 7
5LINJ_24_150033 36% 0.48 PF00069 C1_S134 - (6)19 - / 13 / 6 11
6PKAC132 53% 0.62 PF00069 C1_S139 - (6)20 2 / 22 / 7 27
7LINJ_34_099032 33% 0.55 PF08912 C1_S133 - (6)16 - / 5 / 10 5
8LINJ_02_054031 39% 0.29 PF00069 C1_S137 - (8)16 - / 1 / 13 5
9LINJ_30_085031 45% 0.60 PF00433 C1_S135 - (7)20 1 / 22 / 5 16
10LINJ_32_345030 50% 0.51 PF00069 C1_S138 - (3)20 - / 12 / 11 14
11LINJ_35_406029 54% 0.51 PF00069 C1_S132 - (4)20 1 / 12 / 15 22
12CRK28 51% 0.44 PF00069 C1_S132 - (8)18 2 / 2 / 13 9
13LINJ_30_293028 37% 0.53 PF00069 C1_S129 - (1)20 3 / 12 / 5 12
14LINJ_35_102028 60% 0.54 PF00069 C1_S132 - (0)20 - / 16 / 6 14
15LINJ_27_242028 39% 0.42 PF00069 C1_S129 - (7)18 - / 2 / 13 9
16LINJ_22_037028 53% 0.42 PF00069 C1_S130 - (9)20 - / 1 / 21 4
17MPK1128 100% 0.61 PF00069 C1_S130 - (4)20 - / 13 / 10 18
18MPK427 43% 0.55 PF00069 C1_S129 - (0)20 2 / 11 / 12 18
19LINJ_35_401027 54% 0.49 PF00069 C1_S128 - (9)20 3 / 17 / 4 18
20LINJ_32_027027 49% 0.60 PF00069 C1_S132 - (4)20 1 / 14 / 5 16
21LINJ_05_039027 39% 0.44 PF00069 C1_S128 - (5)16 - / 5 / 9 10
22CRK127 58% 0.50 PF00069 C1_S125 - (4)20 3 / 10 / 7 15
23LINJ_25_164027 54% 0.47 PF00069 C1_S129 - (1)18 - / 13 / 5 11
24LINJ_02_033026 51% 0.56 PF00069 C1_S137 - (7)20 - / 11 / 14 9
25LINJ_13_138026 40% 0.44 PF00069 C1_S126 - (7)19 1 / 7 / 10 10
26LINJ_17_055026 34% 0.38 PF00069 C1_S131 - (6)19 - / 9 / 6 12
27LMAIRK25 44% 0.56 PF00069 C1_S130 - (4)20 2 / 19 / 3 22
28LINJ_28_180025 37% 0.55 PF00433 C1_S127 - (4)17 - / 12 / 4 9
29LINJ_14_151025 46% 0.54 PF00069 C1_S126 - (4)20 1 / 18 / 3 18
30LINJ_29_214025 60% 0.50 PF00069 C1_S118 - (1)12 2 / 8 / 3 7
31LINJ_36_097025 32% 0.48 PF00069 C1_S126 - (0)13 - / 6 / 4 5
32LINJ_02_026024 31% 0.35 PF00069 C1_S129 - (6)12 1 / 5 / 4 8
33LINJ_06_122024 39% 0.48 PF08912 C1_S126 - (3)19 1 / 10 / 7 13
34LINJ_33_181024 40% 0.38 PF00069 C1_S117 - (0)15 - / 8 / 6 4
35LINJ_24_180023 33% ? PF00069 C1_S124 - (4)17 2 / 10 / 2 5
36LINJ_29_142023 35% 0.47 PF00069 C1_S125 - (3)20 - / 14 / 4 8
37LINJ_16_031023 48% 0.44 PF12474 C1_S123 - (2)17 3 / 8 / 5 10
38MPK1223 44% 0.40 PF00069 C1_S123 - (0)13 2 / 9 / 2 5
39GSK322 50% 0.52 PF00069 C1_S121 - (5)19 - / 9 / 10 15
40MPK322 99% 0.52 PF00069 C1_S120 - (0)3 2 / - / 2 2
41LINJ_14_002022 33% ? PF00613 C3_S14 - (1)4 - / 2 / 2 3
42LMPK21 44% 0.54 PF00069 C1_S14 - (1)7 - / 1 / 2 3
43LINJ_34_285021 45% 0.45 PF00069 C1_S127 - (3)9 - / 5 / 5 4
44LINJ_17_077021 47% 0.57 PF00659 C1_S125 - (2)20 - / 15 / 4 11
45LINJ_10_020021 44% 0.67 PF00069 C1_S136 - (0)20 3 / 11 / 7 19
46MRK121 36% 0.47 PF00069 C1_S120 - (0)20 - / 9 / 8 13
47LINJ_34_191020 30% 0.54 PF00069 C1_S124 - (3)7 - / - / 5 1
48LINJ_14_114020 41% 0.37 PF00069 C1_S116 - (1)13 - / - / 7 2
49LINJ_26_095019 39% 0.44 PF00069 C1_S124 - (3)11 1 / 4 / 3 2
50TOR219 40% 0.28 PF00454 C2_S12 - (1)1 - / - / 1 1

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