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]
1Rv3602c105 99% 0.938 PF02569 C7_S1201 - (132)20 13 / 48 / 27 31
2Rv000999 100% 0.662 PF00160 C6_S1140 - (0)20 - / 43 / 26 5
3Rv2445c99 100% 0.587 PF00334 C7_S195 - (73)20 - / 27 / 60 20
4Rv2764c99 100% 0.654 PF00303 C8_S1162 - (95)20 - / 8 / 70 9
5Rv162994 47% 0.566 PF00476 C5_S1274 - (200)13 58 / 22 / 23 2
6Rv2861c93 100% 0.650 PF00557 C2_S185 - (0)20 - / 11 / 58 28
7Rv361791 51% 0.487 PF13419 C1_S1150 - (10)20 2 / 24 / 62 40
8Rv0429c90 100% 0.587 PF01327 C5_S1118 - (29)20 - / 15 / 52 9
9Rv2068c89 100% 0.581 PF00905 C1_S1116 - (12)20 - / - / 57 25
10Rv035089 66% 0.630 PF00012 C4_S1111 - (0)20 8 / 57 / 9 9
11Rv073387 100% 0.697 PF05191 C1_S1157 - (144)13 40 / 39 / 3 4
12Rv2210c86 100% 0.522 PF01063 C8_S1182 - (138)20 - / 13 / 77 8
13Rv033484 62% 0.570 PF00483 C1_S168 - (31)20 - / - / 75 14
14Rv297184 99% 0.622 PF00248 C6_S1148 - (120)15 55 / 9 / 4 4
15Rv073484 75% 0.599 PF00557 C2_S180 - (0)20 - / 1 / 57 26
16Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
17Rv161282 100% 0.581 PF00291 C3_S196 - (88)18 7 / 13 / 39 10
18Rv0070c82 67% 0.590 PF00464 C1_S1106 - (54)16 - / 1 / 63 4
19Rv3581c81 75% 0.573 PF02542 C11_S186 - (66)20 - / - / 64 3
20Rv2697c80 100% 0.640 PF00692 C4_S1179 - (144)16 - / - / 69 4
21Rv148478 100% 0.863 PF00106 C3_S1160 - (88)4 70 / 4 / - 3
22Rv1151c74 46% 0.517 PF02146 C5_S1179 - (0)20 21 / 42 / 19 11
23Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
24Rv3624c71 100% 0.692 PF00156 C4_S1117 - (57)20 2 / 20 / 39 9
25Rv109370 100% 0.549 PF00464 C1_S1106 - (54)16 - / 1 / 64 4
26Rv120770 100% 0.584 PF00809 C6_S184 - (31)20 - / - / 55 25
27Rv233469 100% 0.520 PF00291 C3_S184 - (54)20 - / 9 / 58 9
28Rv125368 46% 0.606 PF00271 C3_S193 - (0)15 3 / 16 / 34 6
29Rv2321c68 40% 0.281 PF00202 C6_S198 - (72)13 - / - / 26 0
30Rv2967c67 51% 0.503 PF02786 C1_S163 - (29)20 2 / 17 / 27 19
31Rv143764 49% 0.645 PF00162 C9_S194 - (83)20 - / 30 / 22 9
32Rv2924c64 37% 0.542 PF06827 C7_S1165 - (0)5 4 / 31 / 28 0
33Rv213964 100% 0.601 PF01180 C2_S1223 - (131)8 59 / 7 / 3 2
34Rv1273c64 40% 0.423 PF00005 C1_S164 - (64)13 - / 28 / 20 8
35Rv247164 47% 0.594 PF16657 C1_S1111 - (0)20 - / 1 / 43 9
36Rv068563 75% 0.588 PF03143 C1_S175 - (0)12 12 / 37 / 8 5
37Rv111063 52% 0.627 PF02401 C7_S1126 - (0)20 - / 3 / 76 12
38Rv138063 37% 0.582 PF02729 C7_S169 - (46)20 - / 24 / 14 8
39Rv1880c62 44% 0.492 PF00067 C7_S1161 - (0)6 58 / - / 3 1
40Rv118762 99% 0.529 PF00171 C3_S179 - (0)20 2 / 21 / 16 6
41Rv0973c61 47% 0.373 PF02786 C2_S160 - (29)20 2 / 14 / 31 18
42Rv134861 47% 0.382 PF00005 C3_S154 - (54)10 - / 34 / 12 6
43Rv2981c61 100% 0.652 PF01820 C1_S1103 - (75)14 - / 16 / 27 6
44Rv3608c61 100% 0.595 PF00809 C6_S176 - (30)20 - / 4 / 54 25
45Rv321160 46% 0.570 PF00271 C4_S169 - (0)12 3 / 11 / 31 7
46Rv3382c60 51% 0.609 PF02401 C8_S1122 - (0)20 - / 2 / 74 14
47Rv143859 100% 0.618 PF00121 C7_S153 - (35)19 - / - / 32 12
48Rv3411c59 97% 0.484 PF00478 C2_S181 - (56)20 - / 22 / 30 6
49Rv107759 47% 0.453 PF00291 C2_S185 - (57)14 - / 5 / 45 5
50Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 12

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