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_10_020021 44% 0.67 PF00069 C1_S136 - (0)20 3 / 11 / 7 19
2PKAC132 53% 0.62 PF00069 C1_S139 - (6)20 2 / 22 / 7 27
3MPK1128 100% 0.61 PF00069 C1_S130 - (4)20 - / 13 / 10 18
4LINJ_30_085031 45% 0.60 PF00433 C1_S135 - (7)20 1 / 22 / 5 16
5LINJ_32_027027 49% 0.60 PF00069 C1_S132 - (4)20 1 / 14 / 5 16
6LINJ_28_062019 40% 0.59 PF00069 C1_S122 - (3)12 - / 5 / 3 4
7LINJ_17_077021 47% 0.57 PF00659 C1_S125 - (2)20 - / 15 / 4 11
8LINJ_35_172056 62% 0.56 PF00069 C1_S171 - (10)20 1 / 17 / 36 20
9LMAIRK25 44% 0.56 PF00069 C1_S130 - (4)20 2 / 19 / 3 22
10LINJ_02_033026 51% 0.56 PF00069 C1_S137 - (7)20 - / 11 / 14 9
11LINJ_28_180025 37% 0.55 PF00433 C1_S127 - (4)17 - / 12 / 4 9
12LINJ_34_099032 33% 0.55 PF08912 C1_S133 - (6)16 - / 5 / 10 5
13LINJ_35_103049 71% 0.55 PF00069 C1_S161 - (0)20 - / 27 / 18 16
14MPK427 43% 0.55 PF00069 C1_S129 - (0)20 2 / 11 / 12 18
15LINJ_34_191020 30% 0.54 PF00069 C1_S124 - (3)7 - / - / 5 1
16LINJ_14_151025 46% 0.54 PF00069 C1_S126 - (4)20 1 / 18 / 3 18
17LMPK21 44% 0.54 PF00069 C1_S14 - (1)7 - / 1 / 2 3
18LINJ_35_102028 60% 0.54 PF00069 C1_S132 - (0)20 - / 16 / 6 14
19LINJ_30_293028 37% 0.53 PF00069 C1_S129 - (1)20 3 / 12 / 5 12
20MPK322 99% 0.52 PF00069 C1_S120 - (0)3 2 / - / 2 2
21GSK322 50% 0.52 PF00069 C1_S121 - (5)19 - / 9 / 10 15
22LINJ_26_260035 35% 0.51 PF00069 C1_S131 - (5)16 - / 6 / 10 12
23LINJ_32_345030 50% 0.51 PF00069 C1_S138 - (3)20 - / 12 / 11 14
24LINJ_35_406029 54% 0.51 PF00069 C1_S132 - (4)20 1 / 12 / 15 22
25LINJ_29_214025 60% 0.50 PF00069 C1_S118 - (1)12 2 / 8 / 3 7
26CRK127 58% 0.50 PF00069 C1_S125 - (4)20 3 / 10 / 7 15
27LINJ_35_401027 54% 0.49 PF00069 C1_S128 - (9)20 3 / 17 / 4 18
28LINJ_06_122024 39% 0.48 PF08912 C1_S126 - (3)19 1 / 10 / 7 13
29LINJ_24_150033 36% 0.48 PF00069 C1_S134 - (6)19 - / 13 / 6 11
30LINJ_36_097025 32% 0.48 PF00069 C1_S126 - (0)13 - / 6 / 4 5
31MRK121 36% 0.47 PF00069 C1_S120 - (0)20 - / 9 / 8 13
32LINJ_25_164027 54% 0.47 PF00069 C1_S129 - (1)18 - / 13 / 5 11
33LINJ_29_142023 35% 0.47 PF00069 C1_S125 - (3)20 - / 14 / 4 8
34LINJ_34_285021 45% 0.45 PF00069 C1_S127 - (3)9 - / 5 / 5 4
35LINJ_16_031023 48% 0.44 PF12474 C1_S123 - (2)17 3 / 8 / 5 10
36LINJ_05_039027 39% 0.44 PF00069 C1_S128 - (5)16 - / 5 / 9 10
37LINJ_13_138026 40% 0.44 PF00069 C1_S126 - (7)19 1 / 7 / 10 10
38LINJ_26_095019 39% 0.44 PF00069 C1_S124 - (3)11 1 / 4 / 3 2
39CRK28 51% 0.44 PF00069 C1_S132 - (8)18 2 / 2 / 13 9
40LINJ_22_037028 53% 0.42 PF00069 C1_S130 - (9)20 - / 1 / 21 4
41LINJ_27_242028 39% 0.42 PF00069 C1_S129 - (7)18 - / 2 / 13 9
42MPK1223 44% 0.40 PF00069 C1_S123 - (0)13 2 / 9 / 2 5
43LINJ_17_055026 34% 0.38 PF00069 C1_S131 - (6)19 - / 9 / 6 12
44LINJ_33_181024 40% 0.38 PF00069 C1_S117 - (0)15 - / 8 / 6 4
45LINJ_14_114020 41% 0.37 PF00069 C1_S116 - (1)13 - / - / 7 2
46LINJ_02_026024 31% 0.35 PF00069 C1_S129 - (6)12 1 / 5 / 4 8
47LINJ_36_242035 36% 0.34 PF00069 C1_S137 - (9)18 - / 4 / 14 7
48TOR117 39% 0.34 PF00454 C2_S12 - (1)1 - / - / 1 1
49LINJ_02_054031 39% 0.29 PF00069 C1_S137 - (8)16 - / 1 / 13 5
50TOR219 40% 0.28 PF00454 C2_S12 - (1)1 - / - / 1 1

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