Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
LIPK (2018 - Leishmania infantum - Protein Kinase)

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_406026 54% 0.46 PF00069 C1_S127 - (10)20 4 / 14 / 5 16
2LinJ_35_401024 54% 0.49 PF00069 C1_S125 - (9)20 3 / 14 / 6 14
3LinJ_21_132027 58% 0.50 PF00069 C1_S124 - (4)19 3 / 10 / 8 14
4LinJ_10_020020 44% 0.67 PF00069 C1_S133 - (0)20 3 / 8 / 5 6
5LinJ_18_109028 53% 0.62 PF00069 C1_S133 - (5)20 2 / 20 / 6 23
6LinJ_25_245024 41% 0.57 PF00433 C1_S131 - (3)20 2 / 14 / 4 4
7LinJ_29_243020 38% 0.47 PF00069 C1_S131 - (14)13 2 / 10 / 1 1
8LinJ_32_086020 31% 0.37 PF00069 C1_S119 - (0)15 2 / 5 / 3 2
9LinJ_16_100024 51% 0.44 PF00069 C1_S128 - (7)18 2 / 2 / 11 7
10LinJ_19_017019 38% 0.51 PF00069 C1_S113 - (2)8 2 / 2 / - 0
11LinJ_30_364022 51% 0.46 PF00069 C1_S128 - (6)11 2 / 1 / 4 3
12LinJ_10_054021 99% 0.52 PF00069 C1_S119 - (0)3 2 / - / 1 1
13LinJ_11_006019 35% 0.47 PF00069 C1_S115 - (3)8 2 / - / - 0
14LinJ_30_085028 45% 0.60 PF00433 C1_S128 - (7)20 1 / 20 / 3 9
15LinJ_36_092020 41% 0.44 PF00069 C1_S129 - (12)20 1 / 16 / 7 6
16LinJ_32_027028 49% 0.60 PF00069 C1_S133 - (4)20 1 / 14 / 5 15
17LinJ_28_055020 44% 0.59 PF00069 C1_S121 - (4)20 1 / 14 / 4 8
18LinJ_29_268021 46% 0.56 PF00069 C1_S121 - (2)20 1 / 14 / 3 9
19LinJ_14_151021 46% 0.54 PF00069 C1_S122 - (4)20 1 / 13 / 2 1
20LinJ_36_078022 51% 0.43 PF00069 C1_S122 - (4)18 1 / 10 / 7 12
21LinJ_06_066025 31% 0.53 PF00069 C1_S123 - (5)16 1 / 9 / 4 4
22LinJ_30_037022 44% 0.45 PF00069 C1_S121 - (0)13 1 / 8 / 2 3
23LinJ_18_065021 50% 0.52 PF00069 C1_S118 - (0)13 1 / 7 / 5 1
24LinJ_06_122020 38% 0.48 PF08912 C1_S120 - (3)18 1 / 6 / 8 7
25LinJ_24_180020 33% ? PF00069 C1_S120 - (4)11 1 / 6 / 1 1
26LinJ_02_026024 31% 0.35 PF00069 C1_S128 - (5)12 1 / 5 / 4 7
27LinJ_29_214020 60% 0.50 PF00069 C1_S19 - (0)10 1 / 5 / 2 4
28LinJ_13_138024 40% 0.44 PF00069 C1_S124 - (7)16 1 / 4 / 10 4
29LinJ_07_103019 57% 0.58 PF00069 C1_S112 - (0)13 1 / 4 / 2 3
30LinJ_36_096018 52% 0.54 PF00069 C1_S17 - (0)10 1 / 4 / 1 4
31LinJ_26_095019 39% 0.44 PF00069 C1_S122 - (4)10 1 / 3 / 3 1
32LinJ_35_103043 71% 0.55 PF00069 C1_S153 - (0)20 - / 25 / 15 14
33LinJ_35_102024 60% 0.54 PF00069 C1_S127 - (0)20 - / 15 / 3 12
34LinJ_35_172047 62% 0.56 PF00069 C1_S154 - (7)20 - / 14 / 29 21
35LinJ_17_077020 47% 0.57 PF00659 C1_S124 - (2)20 - / 14 / 4 5
36LinJ_21_187021 52% 0.58 PF00069 C1_S125 - (1)20 - / 13 / 6 1
37LinJ_25_164026 54% 0.47 PF00069 C1_S127 - (1)17 - / 13 / 5 11
38LinJ_32_345023 50% 0.51 PF00069 C1_S124 - (1)20 - / 12 / 6 10
39LinJ_14_138024 33% 0.50 PF00069 C1_S126 - (4)20 - / 12 / 6 5
40LinJ_33_147025 100% 0.61 PF00069 C1_S126 - (4)20 - / 10 / 11 14
41LinJ_27_010023 41% 0.55 PF00069 C1_S125 - (4)20 - / 10 / 9 14
42LinJ_30_353021 49% 0.52 PF00069 C1_S125 - (0)20 - / 10 / 6 0
43LinJ_29_142019 35% 0.47 PF00069 C1_S121 - (3)20 - / 10 / 4 1
44LinJ_36_060030 58% 0.60 PF00069 C1_S144 - (0)20 - / 9 / 16 21
45LinJ_19_148021 43% 0.55 PF00069 C1_S122 - (0)20 - / 9 / 10 14
46LinJ_18_027021 50% 0.52 PF00069 C1_S119 - (5)20 - / 9 / 10 15
47LinJ_28_180021 37% 0.55 PF00433 C1_S120 - (3)16 - / 9 / 3 7
48LinJ_14_089024 46% 0.39 PF00069 C1_S116 - (1)10 - / 9 / - 3
49LinJ_27_257024 47% 0.55 PF00069 C1_S123 - (2)20 - / 8 / 9 16
50LinJ_32_012020 36% 0.47 PF00069 C1_S119 - (0)19 - / 8 / 8 9

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