Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001584 (Mycobacterium tuberculosis April 2016)

Download : Data.csv | 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]
1Rv305631 73% 0.601 PF11798 C5_S1328 - (301)18 - / - / 13 7
2Rv162994 47% 0.566 PF00476 C5_S1274 - (200)13 58 / 22 / 23 2
3Rv213964 100% 0.601 PF01180 C2_S1223 - (131)8 59 / 7 / 3 2
4Rv3602c105 99% 0.938 PF02569 C7_S1201 - (132)20 13 / 48 / 27 31
5Rv154320 33% 0.463 PF00106 190 - (107)? - / - / - 0
6Rv2210c86 100% 0.522 PF01063 C8_S1182 - (138)20 - / 13 / 77 8
7Rv317020 37% 0.520 PF01593 180 - (128)? - / - / - 0
8Rv1151c74 46% 0.517 PF02146 C5_S1179 - (0)20 21 / 42 / 19 11
9Rv2697c80 100% 0.640 PF00692 C4_S1179 - (144)16 - / - / 69 4
10Rv177728 32% 0.494 PF00067 C5_S1170 - (0)6 6 / - / 2 1
11Rv1256c23 100% 0.539 PF00067 C4_S1168 - (0)4 1 / - / 1 1
12Rv165737 100% 0.684 PF02863 C10_S1168 - (0)4 - / - / 18 2
13Rv2924c64 37% 0.542 PF06827 C7_S1165 - (0)5 4 / 31 / 28 0
14Rv068832 37% 0.606 PF02852 C1_S1165 - (104)6 27 / 1 / 4 3
15Rv1869c38 40% 0.570 PF02852 C1_S1162 - (102)3 38 / - / 1 1
16Rv2764c99 100% 0.654 PF00303 C8_S1162 - (95)20 - / 8 / 70 9
17Rv1880c62 44% 0.492 PF00067 C7_S1161 - (0)6 58 / - / 3 1
18Rv094412 42% 0.640 PF06827 160 - (0)1 - / - / - 0
19Rv148478 100% 0.863 PF00106 C3_S1160 - (88)4 70 / 4 / - 3
20Rv0162c58 34% 0.540 PF00107 C1_S1158 - (115)20 1 / - / 35 5
21Rv073387 100% 0.697 PF05191 C1_S1157 - (144)13 40 / 39 / 3 4
22Rv226649 100% 0.536 PF00067 C7_S1153 - (0)5 44 / - / 2 1
23Rv2763c31 100% 0.917 PF00186 C4_S1153 - (80)14 24 / 4 / 4 9
24Rv2129c27 38% 0.576 PF00106 C1_S1152 - (101)4 - / - / 1 1
25Rv3545c51 100% 0.540 PF00067 C4_S1151 - (0)7 45 / - / 1 2
26Rv1175c14 40% 0.466 PF00724 151 - (78)? - / - / - 0
27Rv361791 51% 0.487 PF13419 C1_S1150 - (10)20 2 / 24 / 62 40
28Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 12
29Rv297184 99% 0.622 PF00248 C6_S1148 - (120)15 55 / 9 / 4 4
30Rv3518c30 100% 0.480 PF00067 C6_S1147 - (0)7 16 / 2 / 1 2
31Rv095655 100% 0.693 PF00551 C3_S1147 - (19)20 - / 25 / 15 13
32Rv1000c0 35% 0.369 PF13532 144 - (0)? - / - / - 0
33Rv0761c55 38% 0.502 PF00107 C1_S1143 - (88)20 2 / 8 / 35 1
34Rv193845 100% 0.522 PF13419 C1_S1141 - (1)20 - / 2 / 26 10
35Rv0851c30 78% 0.695 PF00106 C1_S1141 - (91)9 1 / - / 10 1
36Rv077846 38% 0.483 PF00067 C6_S1140 - (0)3 41 / - / 1 1
37Rv0764c33 100% 0.800 PF00067 C5_S1140 - (3)13 16 / 3 / 11 2
38Rv308627 34% 0.500 PF00107 C1_S1140 - (87)6 - / - / 9 1
39Rv000999 100% 0.662 PF00160 C6_S1140 - (0)20 - / 43 / 26 5
40Rv26450 50% 0.487 PF14716 138 - (0)? - / - / - 0
41Rv3809c40 100% 0.587 PF03275 C1_S1137 - (87)6 35 / 2 / - 2
42Rv154452 45% 0.557 PF00106 C1_S1135 - (86)13 13 / 12 / 7 3
43Rv153732 36% 0.473 PF11798 C2_S1135 - (130)16 - / - / 24 9
44Rv03315 32% 0.427 PF07992 133 - (50)? - / - / - 0
45Rv0766c36 37% 0.479 PF00067 C7_S1131 - (0)7 16 / - / 4 1
46Rv391349 100% 0.537 PF07992 C1_S1130 - (112)11 36 / 5 / 6 5
47Rv2965c39 100% 0.574 PF01467 C3_S1129 - (66)12 - / 1 / 17 5
48Rv2268c28 35% 0.497 PF00067 C5_S1129 - (0)5 7 / 2 / 2 1
49Rv1785c22 33% 0.567 PF00067 C7_S1129 - (0)3 3 / - / - 1
50Rv105022 42% 0.611 PF00106 C1_S1127 - (79)4 7 / - / - 2

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