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_36_242035 36% 0.34 PF00069 C1_S137 - (9)18 - / 4 / 14 7
4LINJ_26_260035 35% 0.51 PF00069 C1_S131 - (5)16 - / 6 / 10 12
5LINJ_24_150033 36% 0.48 PF00069 C1_S134 - (6)19 - / 13 / 6 11
6LINJ_34_099032 33% 0.55 PF08912 C1_S133 - (6)16 - / 5 / 10 5
7PKAC132 53% 0.62 PF00069 C1_S139 - (6)20 2 / 22 / 7 27
8LINJ_30_085031 45% 0.60 PF00433 C1_S135 - (7)20 1 / 22 / 5 16
9LINJ_02_054031 39% 0.29 PF00069 C1_S137 - (8)16 - / 1 / 13 5
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_35_102028 60% 0.54 PF00069 C1_S132 - (0)20 - / 16 / 6 14
14MPK1128 100% 0.61 PF00069 C1_S130 - (4)20 - / 13 / 10 18
15LINJ_30_293028 37% 0.53 PF00069 C1_S129 - (1)20 3 / 12 / 5 12
16LINJ_27_242028 39% 0.42 PF00069 C1_S129 - (7)18 - / 2 / 13 9
17LINJ_22_037028 53% 0.42 PF00069 C1_S130 - (9)20 - / 1 / 21 4
18LINJ_32_027027 49% 0.60 PF00069 C1_S132 - (4)20 1 / 14 / 5 16
19CRK127 58% 0.50 PF00069 C1_S125 - (4)20 3 / 10 / 7 15
20LINJ_05_039027 39% 0.44 PF00069 C1_S128 - (5)16 - / 5 / 9 10
21MPK427 43% 0.55 PF00069 C1_S129 - (0)20 2 / 11 / 12 18
22LINJ_35_401027 54% 0.49 PF00069 C1_S128 - (9)20 3 / 17 / 4 18
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_17_055026 34% 0.38 PF00069 C1_S131 - (6)19 - / 9 / 6 12
26LINJ_13_138026 40% 0.44 PF00069 C1_S126 - (7)19 1 / 7 / 10 10
27LINJ_36_097025 32% 0.48 PF00069 C1_S126 - (0)13 - / 6 / 4 5
28LINJ_29_214025 60% 0.50 PF00069 C1_S118 - (1)12 2 / 8 / 3 7
29LMAIRK25 44% 0.56 PF00069 C1_S130 - (4)20 2 / 19 / 3 22
30LINJ_14_151025 46% 0.54 PF00069 C1_S126 - (4)20 1 / 18 / 3 18
31LINJ_28_180025 37% 0.55 PF00433 C1_S127 - (4)17 - / 12 / 4 9
32LINJ_06_122024 39% 0.48 PF08912 C1_S126 - (3)19 1 / 10 / 7 13
33LINJ_33_181024 40% 0.38 PF00069 C1_S117 - (0)15 - / 8 / 6 4
34LINJ_02_026024 31% 0.35 PF00069 C1_S129 - (6)12 1 / 5 / 4 8
35LINJ_29_142023 35% 0.47 PF00069 C1_S125 - (3)20 - / 14 / 4 8
36LINJ_16_031023 48% 0.44 PF12474 C1_S123 - (2)17 3 / 8 / 5 10
37LINJ_24_180023 33% ? PF00069 C1_S124 - (4)17 2 / 10 / 2 5
38MPK1223 44% 0.40 PF00069 C1_S123 - (0)13 2 / 9 / 2 5
39LINJ_14_002022 33% ? PF00613 C3_S14 - (1)4 - / 2 / 2 3
40GSK322 50% 0.52 PF00069 C1_S121 - (5)19 - / 9 / 10 15
41MPK322 99% 0.52 PF00069 C1_S120 - (0)3 2 / - / 2 2
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_28_062019 40% 0.59 PF00069 C1_S122 - (3)12 - / 5 / 3 4
50TOR219 40% 0.28 PF00454 C2_S12 - (1)1 - / - / 1 1

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