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]
1Rv223426 100% 0.570 PF01451 C7_S118 - (2)10 - / - / 8 4
2Rv227623 100% 0.789 PF00067 C5_S1114 - (0)2 17 / - / - 1
3Rv1411c17 100% 0.550 PF07161 C6_S116 - (0)2 2 / - / - 2
4Rv2925c17 100% 0.693 PF14622 C2_S122 - (0)6 - / - / 6 0
5Rv1985c16 100% 0.581 PF03466 C3_S110 - (0)1 - / - / 1 0
6Rv089911 100% 0.625 PF00691 57 - (0)1 - / - / - 0
7Rv1885c19 100% 0.618 PF01817 C2_S114 - (8)1 - / 1 / - 1
8Rv129320 100% 0.579 PF00278 C1_S132 - (28)6 - / - / 5 2
9Rv000999 100% 0.662 PF00160 C6_S1140 - (0)20 - / 43 / 26 5
10Rv143859 100% 0.618 PF00121 C7_S153 - (35)19 - / - / 32 12
11Rv3378c20 100% 0.656 PF01255 C5_S128 - (0)7 - / 2 / 4 4
12Rv184820 100% 0.658 PF00547 0 - (0)? - / - / - 0
13Rv270325 100% 0.617 PF04545 C6_S136 - (0)2 13 / - / 8 0
14Rv2882c20 100% 0.614 PF01765 5 - (0)? - / - / - 0
15Rv0046c20 100% 0.566 PF07994 C2_S139 - (26)1 4 / - / - 1
16Rv3315c52 100% 0.583 PF00383 C4_S169 - (51)14 - / - / 33 6
17Rv3808c18 100% 0.584 PF00652 C3_S118 - (7)2 - / - / 2 1
18Rv17946 100% 0.583 PF14011 6 - (0)? - / - / - 0
19Rv0451c3 100% 0.366 PF05423 0 - (0)? - / - / - 0
20Rv088011 100% 0.601 PF01047 15 - (0)? - / - / - 0
21Rv2461c20 100% 0.497 PF00574 77 - (0)0 - / - / - 0
22Rv3392c22 100% 0.809 PF02353 C1_S150 - (28)9 3 / 18 / 2 5
23Rv163819 100% 0.492 PF00005 C1_S116 - (0)1 - / - / 1 0
24Rv384919 100% 0.715 PF00141 C4_S111 - (0)2 - / - / 1 0
25Rv100919 100% 0.444 PF06737 C5_S110 - (0)3 - / - / 4 2
26Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 12
27Rv062313 100% 0.435 PF07704 2 - (0)? - / - / - 0
28Rv086029 100% 0.640 PF02737 C2_S138 - (37)4 5 / 5 / - 2
29Rv0045c15 100% 0.557 PF12697 26 - (0)? - / - / - 0
30Rv1018c49 100% 0.604 PF12804 C2_S154 - (36)19 2 / 31 / 9 12
31Rv18113 100% 0.624 PF07925 0 - (0)? - / - / - 0
32Rv2992c26 100% 0.600 PF00749 C6_S119 - (16)3 - / - / 7 2
33Rv2794c19 100% 0.505 PF01648 C4_S115 - (13)4 4 / - / 1 1
34Rv2878c13 100% 0.571 PF00578 3 - (0)? - / - / - 0
35Rv3389c20 100% 0.526 PF01575 C3_S113 - (0)3 - / - / 1 0
36Rv235915 100% 0.613 PF01475 0 - (0)? - / - / - 0
37Rv3339c46 100% 0.451 PF00180 C8_S185 - (81)11 21 / 15 / 6 4
38Rv0948c18 100% 0.537 PF01817 C4_S110 - (7)2 - / - / 2 1
39Rv3588c18 100% 0.635 PF00484 C6_S113 - (0)2 - / - / 1 0
40Rv226649 100% 0.536 PF00067 C7_S1153 - (0)5 44 / - / 2 1
41Rv222520 100% 0.542 PF02548 9 - (3)1 - / - / - 0
42Rv0470c22 100% 0.789 PF02353 C1_S154 - (28)11 3 / 18 / 3 4
43Rv115520 100% 0.587 PF01243 C2_S130 - (0)3 - / 1 / 1 1
44Rv328319 100% 0.516 PF00581 6 - (0)? - / - / - 0
45Rv201814 100% 0.606 PF13411 C8_S18 - (0)? - / - / 1 0
46Rv165320 100% 0.635 PF01960 66 - (0)? - / - / - 0
47Rv3025c30 100% 0.526 PF00266 C2_S154 - (42)8 - / - / 22 2
48Rv207420 100% 0.551 PF01243 16 - (0)1 - / - / - 0
49Rv311924 100% 0.561 PF02391 C3_S118 - (0)6 - / - / 8 1
50Rv2793c30 100% 0.637 PF01509 C6_S137 - (0)4 10 / 3 / 7 0

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