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]
1Rv143764 49% 0.645 PF00162 C9_S194 - (83)20 - / 30 / 22 9
2Rv2068c89 100% 0.581 PF00905 C1_S1116 - (12)20 - / - / 57 25
3Rv0162c58 34% 0.540 PF00107 C1_S1158 - (115)20 1 / - / 35 5
4Rv3608c61 100% 0.595 PF00809 C6_S176 - (30)20 - / 4 / 54 25
5Rv0946c55 99% 0.570 PF00342 C6_S140 - (39)20 - / - / 39 11
6Rv2501c56 54% 0.406 PF02786 C2_S163 - (31)20 2 / 15 / 30 13
7Rv3411c59 97% 0.484 PF00478 C2_S181 - (56)20 - / 22 / 30 6
8Rv111063 52% 0.627 PF02401 C7_S1126 - (0)20 - / 3 / 76 12
9Rv3014c40 100% 0.419 PF03119 C4_S150 - (23)20 - / 9 / 30 20
10Rv1092c45 100% 0.495 PF00485 C3_S1110 - (37)20 6 / 33 / 5 11
11Rv126353 41% 0.495 PF01425 C6_S153 - (0)20 - / - / 28 0
12Rv224541 100% 0.582 PF02801 C3_S167 - (5)20 14 / 7 / 9 8
13Rv3624c71 100% 0.692 PF00156 C4_S1117 - (57)20 2 / 20 / 39 9
14Rv3708c36 100% 0.508 PF00044 C3_S177 - (45)20 9 / 13 / 18 9
15Rv2210c86 100% 0.522 PF01063 C8_S1182 - (138)20 - / 13 / 77 8
16Rv2906c57 76% 0.457 PF01746 C9_S158 - (20)20 1 / 25 / 25 26
17Rv000999 100% 0.662 PF00160 C6_S1140 - (0)20 - / 43 / 26 5
18Rv0357c49 51% 0.561 PF00709 C8_S188 - (66)20 - / 40 / 9 8
19Rv233469 100% 0.520 PF00291 C3_S184 - (54)20 - / 9 / 58 9
20Rv0761c55 38% 0.502 PF00107 C1_S1143 - (88)20 2 / 8 / 35 1
21Rv247164 47% 0.594 PF16657 C1_S1111 - (0)20 - / 1 / 43 9
22Rv0858c45 100% 0.666 PF00155 C1_S171 - (47)20 - / 4 / 31 6
23Rv040935 78% 0.599 PF00871 C6_S161 - (51)20 2 / 9 / 17 12
24Rv3581c81 75% 0.573 PF02542 C11_S186 - (66)20 - / - / 64 3
25Rv2361c45 100% 0.584 PF01255 C7_S1107 - (30)20 3 / 23 / 17 14
26Rv2976c52 100% 0.615 PF03167 C9_S185 - (0)20 4 / 8 / 27 12
27Rv361791 51% 0.487 PF13419 C1_S1150 - (10)20 2 / 24 / 62 40
28Rv2861c93 100% 0.650 PF00557 C2_S185 - (0)20 - / 11 / 58 28
29Rv385535 100% 0.633 PF00440 C2_S156 - (0)20 13 / 19 / 1 26
30Rv328557 48% 0.465 PF02786 C3_S164 - (31)20 1 / 20 / 27 18
31Rv035089 66% 0.630 PF00012 C4_S1111 - (0)20 8 / 57 / 9 9
32Rv1151c74 46% 0.517 PF02146 C5_S1179 - (0)20 21 / 42 / 19 11
33Rv0973c61 47% 0.373 PF02786 C2_S160 - (29)20 2 / 14 / 31 18
34Rv033484 62% 0.570 PF00483 C1_S168 - (31)20 - / - / 75 14
35Rv138063 37% 0.582 PF02729 C7_S169 - (46)20 - / 24 / 14 8
36Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
37Rv120770 100% 0.584 PF00809 C6_S184 - (31)20 - / - / 55 25
38Rv224639 100% 0.526 PF02801 C3_S169 - (6)20 - / 22 / 5 7
39Rv1703c50 38% 0.601 PF01596 C1_S182 - (35)20 8 / 30 / 13 18
40Rv0429c90 100% 0.587 PF01327 C5_S1118 - (29)20 - / 15 / 52 9
41Rv2967c67 51% 0.503 PF02786 C1_S163 - (29)20 2 / 17 / 27 19
42Rv021150 100% 0.651 PF00821 C11_S167 - (48)20 17 / 12 / 10 8
43Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
44Rv095655 100% 0.693 PF00551 C3_S1147 - (19)20 - / 25 / 15 13
45Rv3602c105 99% 0.938 PF02569 C7_S1201 - (132)20 13 / 48 / 27 31
46Rv2764c99 100% 0.654 PF00303 C8_S1162 - (95)20 - / 8 / 70 9
47Rv0533c33 100% 0.696 PF08541 C1_S144 - (26)20 2 / 5 / 20 6
48Rv118762 99% 0.529 PF00171 C3_S179 - (0)20 2 / 21 / 16 6
49Rv3382c60 51% 0.609 PF02401 C8_S1122 - (0)20 - / 2 / 74 14
50Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 12

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