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]
1Rv3439c0 44% 1.069 PF04253 5 - (0)? - / - / - 0
2Rv2539c34 100% 1.016 PF01202 C2_S175 - (65)11 - / 18 / 13 7
3Rv0500B1 27% 0.939 PF12844 0 - (0)? - / - / - 0
4Rv3602c105 99% 0.938 PF02569 C7_S1201 - (132)20 13 / 48 / 27 31
5Rv2432c0 31% 0.931 PF00111 12 - (0)? - / - / - 0
6Rv2763c31 100% 0.917 PF00186 C4_S1153 - (80)14 24 / 4 / 4 9
7Rv346545 100% 0.917 PF00908 C3_S188 - (41)19 - / 1 / 31 9
8Rv3247c20 100% 0.905 PF01712 C2_S1100 - (80)13 1 / 16 / 3 9
9Rv271120 100% 0.903 PF01325 2 - (0)? - / - / - 0
10Rv0137c22 100% 0.874 PF01625 C2_S18 - (1)4 - / - / 1 0
11Rv206312 35% 0.865 PF01402 7 - (0)? - / - / - 0
12Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
13Rv148478 100% 0.863 PF00106 C3_S1160 - (88)4 70 / 4 / - 3
14Rv24123 42% 0.862 PF01649 0 - (0)? - / - / - 0
15Rv1886c20 100% 0.857 PF00756 C2_S112 - (0)2 - / - / 2 0
16Rv0890c2 47% 0.856 PF00072 41 - (0)? - / - / - 0
17Rv3654c0 42% 0.854 PF00512 0 - (0)? - / - / - 0
18Rv0129c20 100% 0.852 PF00756 C2_S127 - (0)8 - / - / 5 3
19Rv287118 47% 0.850 PF03869 2 - (0)? - / - / - 0
20Rv2773c19 100% 0.846 PF01113 C6_S140 - (26)5 9 / - / - 3
21Rv12417 36% 0.846 PF00998 8 - (0)? - / - / - 0
22Rv3597c8 100% 0.844 PF11774 7 - (0)? - / - / - 0
23Rv170027 100% 0.824 PF00293 C2_S152 - (31)11 - / - / 11 3
24Rv11160 42% 0.822 PF02661 5 - (0)? - / - / - 0
25Rv03402 40% 0.811 PF02979 5 - (0)? - / - / - 0
26Rv3392c22 100% 0.809 PF02353 C1_S150 - (28)9 3 / 18 / 2 5
27Rv385320 100% 0.808 PF03737 C3_S128 - (0)5 - / - / 6 2
28Rv2816c10 48% 0.808 PF09827 2 - (0)? - / - / - 0
29Rv242919 100% 0.806 PF02985 5 - (0)? - / - / - 0
30Rv3599c0 37% 0.805 PF00121 2 - (1)? - / - / - 0
31Rv2096c5 37% 0.800 PF00291 3 - (0)? - / - / - 0
32Rv0764c33 100% 0.800 PF00067 C5_S1140 - (3)13 16 / 3 / 11 2
33Rv2147c8 37% 0.791 PF09154 0 - (0)? - / - / - 0
34Rv0470c22 100% 0.789 PF02353 C1_S154 - (28)11 3 / 18 / 3 4
35Rv227623 100% 0.789 PF00067 C5_S1114 - (0)2 17 / - / - 1
36Rv383312 38% 0.784 PF12833 29 - (0)? - / - / - 0
37Rv070020 71% 0.783 PF00338 0 - (0)? - / - / - 0
38Rv064020 69% 0.782 PF03946 C4_S16 - (0)2 - / - / 1 0
39Rv13886 62% 0.779 PF01765 10 - (0)? - / - / - 0
40Rv20141 36% 0.776 PF00730 6 - (0)? - / - / - 0
41Rv14878 42% 0.775 PF02427 0 - (0)? - / - / - 0
42Rv3843c0 37% 0.772 PF03604 0 - (0)? - / - / - 0
43Rv13448 33% 0.764 PF00550 10 - (0)? - / - / - 0
44Rv159643 100% 0.763 PF02749 C7_S140 - (16)8 - / - / 22 3
45Rv13248 34% 0.759 PF00085 0 - (0)? - / - / - 0
46Rv167715 100% 0.759 PF00578 5 - (0)? - / - / - 0
47Rv347416 52% 0.758 PF03221 7 - (0)? - / - / - 0
48Rv235416 52% 0.758 PF03221 7 - (0)? - / - / - 0
49Rv2815c16 52% 0.758 PF01498 7 - (0)? - / - / - 0
50Rv2480c16 52% 0.758 PF03221 7 - (0)? - / - / - 0

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