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]
1MPK1128 100% 0.61 PF00069 C1_S130 - (4)20 - / 13 / 10 18
2MPK322 99% 0.52 PF00069 C1_S120 - (0)3 2 / - / 2 2
3LINJ_35_103049 71% 0.55 PF00069 C1_S161 - (0)20 - / 27 / 18 16
4LINJ_35_172056 62% 0.56 PF00069 C1_S171 - (10)20 1 / 17 / 36 20
5LINJ_35_102028 60% 0.54 PF00069 C1_S132 - (0)20 - / 16 / 6 14
6LINJ_29_214025 60% 0.50 PF00069 C1_S118 - (1)12 2 / 8 / 3 7
7CRK127 58% 0.50 PF00069 C1_S125 - (4)20 3 / 10 / 7 15
8LINJ_25_164027 54% 0.47 PF00069 C1_S129 - (1)18 - / 13 / 5 11
9LINJ_35_401027 54% 0.49 PF00069 C1_S128 - (9)20 3 / 17 / 4 18
10LINJ_35_406029 54% 0.51 PF00069 C1_S132 - (4)20 1 / 12 / 15 22
11LINJ_22_037028 53% 0.42 PF00069 C1_S130 - (9)20 - / 1 / 21 4
12PKAC132 53% 0.62 PF00069 C1_S139 - (6)20 2 / 22 / 7 27
13LINJ_02_033026 51% 0.56 PF00069 C1_S137 - (7)20 - / 11 / 14 9
14CRK28 51% 0.44 PF00069 C1_S132 - (8)18 2 / 2 / 13 9
15GSK322 50% 0.52 PF00069 C1_S121 - (5)19 - / 9 / 10 15
16LINJ_32_345030 50% 0.51 PF00069 C1_S138 - (3)20 - / 12 / 11 14
17LINJ_32_027027 49% 0.60 PF00069 C1_S132 - (4)20 1 / 14 / 5 16
18LINJ_16_031023 48% 0.44 PF12474 C1_S123 - (2)17 3 / 8 / 5 10
19LINJ_17_077021 47% 0.57 PF00659 C1_S125 - (2)20 - / 15 / 4 11
20LINJ_14_151025 46% 0.54 PF00069 C1_S126 - (4)20 1 / 18 / 3 18
21LINJ_30_085031 45% 0.60 PF00433 C1_S135 - (7)20 1 / 22 / 5 16
22LINJ_34_285021 45% 0.45 PF00069 C1_S127 - (3)9 - / 5 / 5 4
23LMAIRK25 44% 0.56 PF00069 C1_S130 - (4)20 2 / 19 / 3 22
24LINJ_10_020021 44% 0.67 PF00069 C1_S136 - (0)20 3 / 11 / 7 19
25LMPK21 44% 0.54 PF00069 C1_S14 - (1)7 - / 1 / 2 3
26MPK1223 44% 0.40 PF00069 C1_S123 - (0)13 2 / 9 / 2 5
27MPK427 43% 0.55 PF00069 C1_S129 - (0)20 2 / 11 / 12 18
28LINJ_14_114020 41% 0.37 PF00069 C1_S116 - (1)13 - / - / 7 2
29LINJ_33_181024 40% 0.38 PF00069 C1_S117 - (0)15 - / 8 / 6 4
30LINJ_13_138026 40% 0.44 PF00069 C1_S126 - (7)19 1 / 7 / 10 10
31TOR219 40% 0.28 PF00454 C2_S12 - (1)1 - / - / 1 1
32LINJ_28_062019 40% 0.59 PF00069 C1_S122 - (3)12 - / 5 / 3 4
33LINJ_02_054031 39% 0.29 PF00069 C1_S137 - (8)16 - / 1 / 13 5
34LINJ_06_122024 39% 0.48 PF08912 C1_S126 - (3)19 1 / 10 / 7 13
35LINJ_05_039027 39% 0.44 PF00069 C1_S128 - (5)16 - / 5 / 9 10
36LINJ_26_095019 39% 0.44 PF00069 C1_S124 - (3)11 1 / 4 / 3 2
37LINJ_27_242028 39% 0.42 PF00069 C1_S129 - (7)18 - / 2 / 13 9
38TOR117 39% 0.34 PF00454 C2_S12 - (1)1 - / - / 1 1
39LINJ_30_293028 37% 0.53 PF00069 C1_S129 - (1)20 3 / 12 / 5 12
40LINJ_28_180025 37% 0.55 PF00433 C1_S127 - (4)17 - / 12 / 4 9
41LINJ_24_150033 36% 0.48 PF00069 C1_S134 - (6)19 - / 13 / 6 11
42LINJ_36_242035 36% 0.34 PF00069 C1_S137 - (9)18 - / 4 / 14 7
43MRK121 36% 0.47 PF00069 C1_S120 - (0)20 - / 9 / 8 13
44LINJ_26_260035 35% 0.51 PF00069 C1_S131 - (5)16 - / 6 / 10 12
45LINJ_29_142023 35% 0.47 PF00069 C1_S125 - (3)20 - / 14 / 4 8
46LINJ_17_055026 34% 0.38 PF00069 C1_S131 - (6)19 - / 9 / 6 12
47LINJ_14_002022 33% ? PF00613 C3_S14 - (1)4 - / 2 / 2 3
48LINJ_24_180023 33% ? PF00069 C1_S124 - (4)17 2 / 10 / 2 5
49LINJ_34_099032 33% 0.55 PF08912 C1_S133 - (6)16 - / 5 / 10 5
50LINJ_36_097025 32% 0.48 PF00069 C1_S126 - (0)13 - / 6 / 4 5

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