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_32_345030 50% 0.51 PF00069 C1_S138 - (3)20 - / 12 / 11 14
2LINJ_35_172056 62% 0.56 PF00069 C1_S171 - (10)20 1 / 17 / 36 20
3LINJ_32_027027 49% 0.60 PF00069 C1_S132 - (4)20 1 / 14 / 5 16
4LINJ_02_033026 51% 0.56 PF00069 C1_S137 - (7)20 - / 11 / 14 9
5LINJ_22_037028 53% 0.42 PF00069 C1_S130 - (9)20 - / 1 / 21 4
6LINJ_35_406029 54% 0.51 PF00069 C1_S132 - (4)20 1 / 12 / 15 22
7LINJ_30_085031 45% 0.60 PF00433 C1_S135 - (7)20 1 / 22 / 5 16
8LINJ_17_077021 47% 0.57 PF00659 C1_S125 - (2)20 - / 15 / 4 11
9LINJ_10_020021 44% 0.67 PF00069 C1_S136 - (0)20 3 / 11 / 7 19
10MRK121 36% 0.47 PF00069 C1_S120 - (0)20 - / 9 / 8 13
11MPK427 43% 0.55 PF00069 C1_S129 - (0)20 2 / 11 / 12 18
12PKAC132 53% 0.62 PF00069 C1_S139 - (6)20 2 / 22 / 7 27
13LINJ_29_142023 35% 0.47 PF00069 C1_S125 - (3)20 - / 14 / 4 8
14LINJ_35_103049 71% 0.55 PF00069 C1_S161 - (0)20 - / 27 / 18 16
15LINJ_35_401027 54% 0.49 PF00069 C1_S128 - (9)20 3 / 17 / 4 18
16LINJ_14_151025 46% 0.54 PF00069 C1_S126 - (4)20 1 / 18 / 3 18
17MPK1128 100% 0.61 PF00069 C1_S130 - (4)20 - / 13 / 10 18
18LINJ_30_293028 37% 0.53 PF00069 C1_S129 - (1)20 3 / 12 / 5 12
19LMAIRK25 44% 0.56 PF00069 C1_S130 - (4)20 2 / 19 / 3 22
20CRK127 58% 0.50 PF00069 C1_S125 - (4)20 3 / 10 / 7 15
21LINJ_35_102028 60% 0.54 PF00069 C1_S132 - (0)20 - / 16 / 6 14
22GSK322 50% 0.52 PF00069 C1_S121 - (5)19 - / 9 / 10 15
23LINJ_13_138026 40% 0.44 PF00069 C1_S126 - (7)19 1 / 7 / 10 10
24LINJ_24_150033 36% 0.48 PF00069 C1_S134 - (6)19 - / 13 / 6 11
25LINJ_06_122024 39% 0.48 PF08912 C1_S126 - (3)19 1 / 10 / 7 13
26LINJ_17_055026 34% 0.38 PF00069 C1_S131 - (6)19 - / 9 / 6 12
27LINJ_27_242028 39% 0.42 PF00069 C1_S129 - (7)18 - / 2 / 13 9
28LINJ_25_164027 54% 0.47 PF00069 C1_S129 - (1)18 - / 13 / 5 11
29LINJ_36_242035 36% 0.34 PF00069 C1_S137 - (9)18 - / 4 / 14 7
30CRK28 51% 0.44 PF00069 C1_S132 - (8)18 2 / 2 / 13 9
31LINJ_28_180025 37% 0.55 PF00433 C1_S127 - (4)17 - / 12 / 4 9
32LINJ_24_180023 33% ? PF00069 C1_S124 - (4)17 2 / 10 / 2 5
33LINJ_16_031023 48% 0.44 PF12474 C1_S123 - (2)17 3 / 8 / 5 10
34LINJ_05_039027 39% 0.44 PF00069 C1_S128 - (5)16 - / 5 / 9 10
35LINJ_02_054031 39% 0.29 PF00069 C1_S137 - (8)16 - / 1 / 13 5
36LINJ_34_099032 33% 0.55 PF08912 C1_S133 - (6)16 - / 5 / 10 5
37LINJ_26_260035 35% 0.51 PF00069 C1_S131 - (5)16 - / 6 / 10 12
38LINJ_33_181024 40% 0.38 PF00069 C1_S117 - (0)15 - / 8 / 6 4
39LINJ_36_097025 32% 0.48 PF00069 C1_S126 - (0)13 - / 6 / 4 5
40MPK1223 44% 0.40 PF00069 C1_S123 - (0)13 2 / 9 / 2 5
41LINJ_14_114020 41% 0.37 PF00069 C1_S116 - (1)13 - / - / 7 2
42LINJ_02_026024 31% 0.35 PF00069 C1_S129 - (6)12 1 / 5 / 4 8
43LINJ_28_062019 40% 0.59 PF00069 C1_S122 - (3)12 - / 5 / 3 4
44LINJ_29_214025 60% 0.50 PF00069 C1_S118 - (1)12 2 / 8 / 3 7
45LINJ_26_095019 39% 0.44 PF00069 C1_S124 - (3)11 1 / 4 / 3 2
46LINJ_34_285021 45% 0.45 PF00069 C1_S127 - (3)9 - / 5 / 5 4
47LINJ_34_191020 30% 0.54 PF00069 C1_S124 - (3)7 - / - / 5 1
48LMPK21 44% 0.54 PF00069 C1_S14 - (1)7 - / 1 / 2 3
49LINJ_14_002022 33% ? PF00613 C3_S14 - (1)4 - / 2 / 2 3
50MPK322 99% 0.52 PF00069 C1_S120 - (0)3 2 / - / 2 2

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