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]
1Rv2976c52 100% 0.615 PF03167 C9_S185 - (0)20 4 / 8 / 27 12
2Rv3624c71 100% 0.692 PF00156 C4_S1117 - (57)20 2 / 20 / 39 9
3Rv143764 49% 0.645 PF00162 C9_S194 - (83)20 - / 30 / 22 9
4Rv033484 62% 0.570 PF00483 C1_S168 - (31)20 - / - / 75 14
5Rv0946c55 99% 0.570 PF00342 C6_S140 - (39)20 - / - / 39 11
6Rv361791 51% 0.487 PF13419 C1_S1150 - (10)20 2 / 24 / 62 40
7Rv233469 100% 0.520 PF00291 C3_S184 - (54)20 - / 9 / 58 9
8Rv1092c45 100% 0.495 PF00485 C3_S1110 - (37)20 6 / 33 / 5 11
9Rv035089 66% 0.630 PF00012 C4_S1111 - (0)20 8 / 57 / 9 9
10Rv1151c74 46% 0.517 PF02146 C5_S1179 - (0)20 21 / 42 / 19 11
11Rv126353 41% 0.495 PF01425 C6_S153 - (0)20 - / - / 28 0
12Rv111063 52% 0.627 PF02401 C7_S1126 - (0)20 - / 3 / 76 12
13Rv118762 99% 0.529 PF00171 C3_S179 - (0)20 2 / 21 / 16 6
14Rv3581c81 75% 0.573 PF02542 C11_S186 - (66)20 - / - / 64 3
15Rv0429c90 100% 0.587 PF01327 C5_S1118 - (29)20 - / 15 / 52 9
16Rv2210c86 100% 0.522 PF01063 C8_S1182 - (138)20 - / 13 / 77 8
17Rv3014c40 100% 0.419 PF03119 C4_S150 - (23)20 - / 9 / 30 20
18Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
19Rv040935 78% 0.599 PF00871 C6_S161 - (51)20 2 / 9 / 17 12
20Rv3382c60 51% 0.609 PF02401 C8_S1122 - (0)20 - / 2 / 74 14
21Rv0973c61 47% 0.373 PF02786 C2_S160 - (29)20 2 / 14 / 31 18
22Rv3608c61 100% 0.595 PF00809 C6_S176 - (30)20 - / 4 / 54 25
23Rv2501c56 54% 0.406 PF02786 C2_S163 - (31)20 2 / 15 / 30 13
24Rv073484 75% 0.599 PF00557 C2_S180 - (0)20 - / 1 / 57 26
25Rv328557 48% 0.465 PF02786 C3_S164 - (31)20 1 / 20 / 27 18
26Rv3708c36 100% 0.508 PF00044 C3_S177 - (45)20 9 / 13 / 18 9
27Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 12
28Rv224541 100% 0.582 PF02801 C3_S167 - (5)20 14 / 7 / 9 8
29Rv000999 100% 0.662 PF00160 C6_S1140 - (0)20 - / 43 / 26 5
30Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
31Rv193845 100% 0.522 PF13419 C1_S1141 - (1)20 - / 2 / 26 10
32Rv0761c55 38% 0.502 PF00107 C1_S1143 - (88)20 2 / 8 / 35 1
33Rv095655 100% 0.693 PF00551 C3_S1147 - (19)20 - / 25 / 15 13
34Rv0162c58 34% 0.540 PF00107 C1_S1158 - (115)20 1 / - / 35 5
35Rv2906c57 76% 0.457 PF01746 C9_S158 - (20)20 1 / 25 / 25 26
36Rv2361c45 100% 0.584 PF01255 C7_S1107 - (30)20 3 / 23 / 17 14
37Rv2967c67 51% 0.503 PF02786 C1_S163 - (29)20 2 / 17 / 27 19
38Rv2445c99 100% 0.587 PF00334 C7_S195 - (73)20 - / 27 / 60 20
39Rv3279c29 100% 0.560 PF08279 C5_S148 - (41)20 26 / - / 3 14
40Rv385535 100% 0.633 PF00440 C2_S156 - (0)20 13 / 19 / 1 26
41Rv2068c89 100% 0.581 PF00905 C1_S1116 - (12)20 - / - / 57 25
42Rv2764c99 100% 0.654 PF00303 C8_S1162 - (95)20 - / 8 / 70 9
43Rv021150 100% 0.651 PF00821 C11_S167 - (48)20 17 / 12 / 10 8
44Rv2861c93 100% 0.650 PF00557 C2_S185 - (0)20 - / 11 / 58 28
45Rv120770 100% 0.584 PF00809 C6_S184 - (31)20 - / - / 55 25
46Rv3411c59 97% 0.484 PF00478 C2_S181 - (56)20 - / 22 / 30 6
47Rv247164 47% 0.594 PF16657 C1_S1111 - (0)20 - / 1 / 43 9
48Rv224639 100% 0.526 PF02801 C3_S169 - (6)20 - / 22 / 5 7
49Rv138063 37% 0.582 PF02729 C7_S169 - (46)20 - / 24 / 14 8
50Rv1703c50 38% 0.601 PF01596 C1_S182 - (35)20 8 / 30 / 13 18

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