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]
1Rv361791 51% 0.487 PF13419 C1_S1150 - (10)20 2 / 24 / 62 40
2Rv095655 100% 0.693 PF00551 C3_S1147 - (19)20 - / 25 / 15 13
3Rv000999 100% 0.662 PF00160 C6_S1140 - (0)20 - / 43 / 26 5
4Rv1703c50 38% 0.601 PF01596 C1_S182 - (35)20 8 / 30 / 13 18
5Rv2068c89 100% 0.581 PF00905 C1_S1116 - (12)20 - / - / 57 25
6Rv118762 99% 0.529 PF00171 C3_S179 - (0)20 2 / 21 / 16 6
7Rv3708c36 100% 0.508 PF00044 C3_S177 - (45)20 9 / 13 / 18 9
8Rv224541 100% 0.582 PF02801 C3_S167 - (5)20 14 / 7 / 9 8
9Rv233469 100% 0.520 PF00291 C3_S184 - (54)20 - / 9 / 58 9
10Rv040935 78% 0.599 PF00871 C6_S161 - (51)20 2 / 9 / 17 12
11Rv1092c45 100% 0.495 PF00485 C3_S1110 - (37)20 6 / 33 / 5 11
12Rv143764 49% 0.645 PF00162 C9_S194 - (83)20 - / 30 / 22 9
13Rv021150 100% 0.651 PF00821 C11_S167 - (48)20 17 / 12 / 10 8
14Rv0429c90 100% 0.587 PF01327 C5_S1118 - (29)20 - / 15 / 52 9
15Rv2906c57 76% 0.457 PF01746 C9_S158 - (20)20 1 / 25 / 25 26
16Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
17Rv0761c55 38% 0.502 PF00107 C1_S1143 - (88)20 2 / 8 / 35 1
18Rv0533c33 100% 0.696 PF08541 C1_S144 - (26)20 2 / 5 / 20 6
19Rv2967c67 51% 0.503 PF02786 C1_S163 - (29)20 2 / 17 / 27 19
20Rv328557 48% 0.465 PF02786 C3_S164 - (31)20 1 / 20 / 27 18
21Rv0973c61 47% 0.373 PF02786 C2_S160 - (29)20 2 / 14 / 31 18
22Rv174638 42% 0.545 PF00069 C3_S1101 - (20)20 2 / 15 / 11 15
23Rv120770 100% 0.584 PF00809 C6_S184 - (31)20 - / - / 55 25
24Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
25Rv033484 62% 0.570 PF00483 C1_S168 - (31)20 - / - / 75 14
26Rv3602c105 99% 0.938 PF02569 C7_S1201 - (132)20 13 / 48 / 27 31
27Rv3014c40 100% 0.419 PF03119 C4_S150 - (23)20 - / 9 / 30 20
28Rv126353 41% 0.495 PF01425 C6_S153 - (0)20 - / - / 28 0
29Rv138063 37% 0.582 PF02729 C7_S169 - (46)20 - / 24 / 14 8
30Rv385535 100% 0.633 PF00440 C2_S156 - (0)20 13 / 19 / 1 26
31Rv2501c56 54% 0.406 PF02786 C2_S163 - (31)20 2 / 15 / 30 13
32Rv3581c81 75% 0.573 PF02542 C11_S186 - (66)20 - / - / 64 3
33Rv073484 75% 0.599 PF00557 C2_S180 - (0)20 - / 1 / 57 26
34Rv035089 66% 0.630 PF00012 C4_S1111 - (0)20 8 / 57 / 9 9
35Rv193845 100% 0.522 PF13419 C1_S1141 - (1)20 - / 2 / 26 10
36Rv3382c60 51% 0.609 PF02401 C8_S1122 - (0)20 - / 2 / 74 14
37Rv2210c86 100% 0.522 PF01063 C8_S1182 - (138)20 - / 13 / 77 8
38Rv0858c45 100% 0.666 PF00155 C1_S171 - (47)20 - / 4 / 31 6
39Rv111063 52% 0.627 PF02401 C7_S1126 - (0)20 - / 3 / 76 12
40Rv224639 100% 0.526 PF02801 C3_S169 - (6)20 - / 22 / 5 7
41Rv3608c61 100% 0.595 PF00809 C6_S176 - (30)20 - / 4 / 54 25
42Rv3624c71 100% 0.692 PF00156 C4_S1117 - (57)20 2 / 20 / 39 9
43Rv2361c45 100% 0.584 PF01255 C7_S1107 - (30)20 3 / 23 / 17 14
44Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 12
45Rv3279c29 100% 0.560 PF08279 C5_S148 - (41)20 26 / - / 3 14
46Rv2445c99 100% 0.587 PF00334 C7_S195 - (73)20 - / 27 / 60 20
47Rv2861c93 100% 0.650 PF00557 C2_S185 - (0)20 - / 11 / 58 28
48Rv0357c49 51% 0.561 PF00709 C8_S188 - (66)20 - / 40 / 9 8
49Rv0946c55 99% 0.570 PF00342 C6_S140 - (39)20 - / - / 39 11
50Rv2764c99 100% 0.654 PF00303 C8_S1162 - (95)20 - / 8 / 70 9

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