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
3PKAC132 53% 0.62 PF00069 C1_S139 - (6)20 2 / 22 / 7 27
4LINJ_32_345030 50% 0.51 PF00069 C1_S138 - (3)20 - / 12 / 11 14
5LINJ_02_033026 51% 0.56 PF00069 C1_S137 - (7)20 - / 11 / 14 9
6LINJ_36_242035 36% 0.34 PF00069 C1_S137 - (9)18 - / 4 / 14 7
7LINJ_02_054031 39% 0.29 PF00069 C1_S137 - (8)16 - / 1 / 13 5
8LINJ_10_020021 44% 0.67 PF00069 C1_S136 - (0)20 3 / 11 / 7 19
9LINJ_30_085031 45% 0.60 PF00433 C1_S135 - (7)20 1 / 22 / 5 16
10LINJ_24_150033 36% 0.48 PF00069 C1_S134 - (6)19 - / 13 / 6 11
11LINJ_34_099032 33% 0.55 PF08912 C1_S133 - (6)16 - / 5 / 10 5
12LINJ_32_027027 49% 0.60 PF00069 C1_S132 - (4)20 1 / 14 / 5 16
13CRK28 51% 0.44 PF00069 C1_S132 - (8)18 2 / 2 / 13 9
14LINJ_35_102028 60% 0.54 PF00069 C1_S132 - (0)20 - / 16 / 6 14
15LINJ_35_406029 54% 0.51 PF00069 C1_S132 - (4)20 1 / 12 / 15 22
16LINJ_17_055026 34% 0.38 PF00069 C1_S131 - (6)19 - / 9 / 6 12
17LINJ_26_260035 35% 0.51 PF00069 C1_S131 - (5)16 - / 6 / 10 12
18MPK1128 100% 0.61 PF00069 C1_S130 - (4)20 - / 13 / 10 18
19LINJ_22_037028 53% 0.42 PF00069 C1_S130 - (9)20 - / 1 / 21 4
20LMAIRK25 44% 0.56 PF00069 C1_S130 - (4)20 2 / 19 / 3 22
21MPK427 43% 0.55 PF00069 C1_S129 - (0)20 2 / 11 / 12 18
22LINJ_02_026024 31% 0.35 PF00069 C1_S129 - (6)12 1 / 5 / 4 8
23LINJ_30_293028 37% 0.53 PF00069 C1_S129 - (1)20 3 / 12 / 5 12
24LINJ_27_242028 39% 0.42 PF00069 C1_S129 - (7)18 - / 2 / 13 9
25LINJ_25_164027 54% 0.47 PF00069 C1_S129 - (1)18 - / 13 / 5 11
26LINJ_05_039027 39% 0.44 PF00069 C1_S128 - (5)16 - / 5 / 9 10
27LINJ_35_401027 54% 0.49 PF00069 C1_S128 - (9)20 3 / 17 / 4 18
28LINJ_28_180025 37% 0.55 PF00433 C1_S127 - (4)17 - / 12 / 4 9
29LINJ_34_285021 45% 0.45 PF00069 C1_S127 - (3)9 - / 5 / 5 4
30LINJ_36_097025 32% 0.48 PF00069 C1_S126 - (0)13 - / 6 / 4 5
31LINJ_14_151025 46% 0.54 PF00069 C1_S126 - (4)20 1 / 18 / 3 18
32LINJ_06_122024 39% 0.48 PF08912 C1_S126 - (3)19 1 / 10 / 7 13
33LINJ_13_138026 40% 0.44 PF00069 C1_S126 - (7)19 1 / 7 / 10 10
34LINJ_29_142023 35% 0.47 PF00069 C1_S125 - (3)20 - / 14 / 4 8
35CRK127 58% 0.50 PF00069 C1_S125 - (4)20 3 / 10 / 7 15
36LINJ_17_077021 47% 0.57 PF00659 C1_S125 - (2)20 - / 15 / 4 11
37LINJ_34_191020 30% 0.54 PF00069 C1_S124 - (3)7 - / - / 5 1
38LINJ_24_180023 33% ? PF00069 C1_S124 - (4)17 2 / 10 / 2 5
39LINJ_26_095019 39% 0.44 PF00069 C1_S124 - (3)11 1 / 4 / 3 2
40LINJ_16_031023 48% 0.44 PF12474 C1_S123 - (2)17 3 / 8 / 5 10
41MPK1223 44% 0.40 PF00069 C1_S123 - (0)13 2 / 9 / 2 5
42LINJ_28_062019 40% 0.59 PF00069 C1_S122 - (3)12 - / 5 / 3 4
43GSK322 50% 0.52 PF00069 C1_S121 - (5)19 - / 9 / 10 15
44MPK322 99% 0.52 PF00069 C1_S120 - (0)3 2 / - / 2 2
45MRK121 36% 0.47 PF00069 C1_S120 - (0)20 - / 9 / 8 13
46LINJ_29_214025 60% 0.50 PF00069 C1_S118 - (1)12 2 / 8 / 3 7
47LINJ_33_181024 40% 0.38 PF00069 C1_S117 - (0)15 - / 8 / 6 4
48LINJ_14_114020 41% 0.37 PF00069 C1_S116 - (1)13 - / - / 7 2
49LINJ_14_002022 33% ? PF00613 C3_S14 - (1)4 - / 2 / 2 3
50LMPK21 44% 0.54 PF00069 C1_S14 - (1)7 - / 1 / 2 3

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