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]
1Rv354621 100% 0.484 PF00108 C7_S115 - (6)4 - / - / 3 2
2Rv0902c20 100% 0.696 PF00512 C4_S134 - (29)2 - / - / 1 1
3Rv3903c15 100% 0.504 PF06013 2 - (0)? - / - / - 0
4Rv067817 100% 0.460 PF01047 9 - (0)? - / - / - 0
5Rv3303c20 100% 0.536 PF02852 C1_S139 - (35)1 2 / - / - 1
6Rv262317 100% 0.575 PF00582 C4_S138 - (0)2 - / 1 / 1 1
7Rv239123 100% 0.524 PF03460 C2_S162 - (21)5 6 / - / 16 1
8Rv2697c80 100% 0.640 PF00692 C4_S1179 - (144)16 - / - / 69 4
9Rv3808c18 100% 0.584 PF00652 C3_S118 - (7)2 - / - / 2 1
10Rv1886c20 100% 0.857 PF00756 C2_S112 - (0)2 - / - / 2 0
11Rv160120 100% 0.493 PF00475 0 - (0)? - / - / - 0
12Rv1985c16 100% 0.581 PF03466 C3_S110 - (0)1 - / - / 1 0
13Rv2495c20 100% 0.584 PF02817 28 - (28)? - / - / - 0
14Rv161124 100% 0.642 PF00218 C2_S131 - (6)10 - / 5 / 4 5
15Rv000220 100% 0.685 PF02768 3 - (0)? - / - / - 0
16Rv384919 100% 0.715 PF00141 C4_S111 - (0)2 - / - / 1 0
17Rv38777 100% 0.755 PF11976 0 - (0)? - / - / - 0
18Rv2833c17 100% 0.550 PF01547 37 - (0)? - / - / - 0
19Rv391444 100% 0.641 PF00085 C1_S136 - (0)7 - / - / 5 0
20Rv391349 100% 0.537 PF07992 C1_S1130 - (112)11 36 / 5 / 6 5
21Rv1201c20 100% 0.550 PF14789 C5_S125 - (20)5 - / 2 / 3 2
22Rv165320 100% 0.635 PF01960 66 - (0)? - / - / - 0
23Rv286512 100% 0.620 PF02604 1 - (0)? - / - / - 0
24Rv2992c26 100% 0.600 PF00749 C6_S119 - (16)3 - / - / 7 2
25Rv3800c20 100% 0.490 PF00975 C2_S18 - (0)1 - / - / 7 0
26Rv1449c21 100% 0.618 PF00456 C1_S17 - (0)2 - / - / 1 1
27Rv060320 100% 0.598 PF03413 1 - (0)? - / - / - 0
28Rv0198c18 100% 0.490 PF05649 C4_S124 - (0)10 - / 5 / 8 6
29Rv097712 100% 0.515 PF07966 10 - (0)1 - / - / - 0
30Rv3588c18 100% 0.635 PF00484 C6_S113 - (0)2 - / - / 1 0
31Rv384118 100% ? PF00210 6 - (0)2 - / - / - 0
32Rv3309c44 100% 0.511 PF14681 C5_S155 - (42)13 - / 9 / 20 4
33Rv1314c23 100% 0.531 PF01923 C10_S137 - (19)5 - / - / 8 2
34Rv0129c20 100% 0.852 PF00756 C2_S127 - (0)8 - / - / 5 3
35Rv3053c16 100% 0.757 PF00462 C4_S11 - (0)1 - / - / 1 0
36Rv2430c18 100% 0.427 PF00823 4 - (0)? - / - / - 0
37Rv287512 100% 0.547 PF02469 0 - (0)? - / - / - 0
38Rv3250c5 100% 0.556 PF00301 1 - (0)? - / - / - 0
39Rv2717c16 100% 0.565 PF08768 9 - (0)? - / - / - 0
40Rv2210c86 100% 0.522 PF01063 C8_S1182 - (138)20 - / 13 / 77 8
41Rv2175c18 100% 0.590 PF01680 7 - (0)? - / - / - 0
42Rv371715 100% 0.596 PF01520 C4_S111 - (0)? - / - / 2 0
43Rv1267c13 100% 0.598 PF00498 C1_S16 - (0)? - / 2 / 1 0
44Rv3566c20 100% 0.476 PF00797 C5_S117 - (13)8 - / 3 / 5 3
45Rv242919 100% 0.806 PF02985 5 - (0)? - / - / - 0
46Rv3413c3 100% 0.583 PF16751 0 - (0)? - / - / - 0
47Rv2068c89 100% 0.581 PF00905 C1_S1116 - (12)20 - / - / 57 25
48Rv086029 100% 0.640 PF02737 C2_S138 - (37)4 5 / 5 / - 2
49Rv0444c3 100% 0.701 PF00135 4 - (0)? - / - / - 0
50Rv2027c20 100% 0.570 PF07730 C1_S129 - (0)4 20 / - / 1 2

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