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]
50Rv113125 100% 0.564 PF00285 C7_S115 - (11)6 - / 5 / 6 2
51Rv3709c12 100% 0.631 PF00696 C1_S116 - (10)3 - / - / 1 1
52Rv0116c20 100% 0.565 PF03734 C5_S111 - (0)5 - / - / 2 2
53Rv2202c20 100% 0.555 PF00294 C2_S167 - (36)8 - / 5 / 4 4
54Rv030019 100% 0.687 PF01402 6 - (0)1 - / - / - 0
55Rv02899 100% 0.595 PF14011 C6_S15 - (0)? - / - / 1 0
56Rv129320 100% 0.579 PF00278 C1_S132 - (28)6 - / - / 5 2
57Rv0802c17 100% 0.486 PF13302 C1_S123 - (0)1 - / 1 / - 1
58Rv224722 100% 0.552 PF01039 C2_S16 - (0)3 - / - / 3 1
59Rv0040c9 100% 0.542 PF10738 1 - (0)? - / - / - 0
60Rv073611 100% 0.496 PF13490 0 - (0)? - / - / - 0
61Rv2773c19 100% 0.846 PF01113 C6_S140 - (26)5 9 / - / - 3
62Rv0223c21 100% 0.577 PF00171 30 - (30)1 - / - / - 0
63Rv165737 100% 0.684 PF02863 C10_S1168 - (0)4 - / - / 18 2
64Rv160120 100% 0.493 PF00475 0 - (0)? - / - / - 0
65Rv1885c19 100% 0.618 PF01817 C2_S114 - (8)1 - / 1 / - 1
66Rv2175c18 100% 0.590 PF01680 7 - (0)? - / - / - 0
67Rv2118c22 100% 0.557 PF08704 C1_S138 - (25)4 3 / 10 / 4 0
68Rv148478 100% 0.863 PF00106 C3_S1160 - (88)4 70 / 4 / - 3
69Rv2833c17 100% 0.550 PF01547 37 - (0)? - / - / - 0
70Rv1908c27 100% 0.476 PF00141 C5_S131 - (0)6 6 / - / 1 2
71Rv2981c61 100% 0.652 PF01820 C1_S1103 - (75)14 - / 16 / 27 6
72Rv2460c20 100% 0.514 PF00574 77 - (0)0 - / - / - 0
73Rv2361c45 100% 0.584 PF01255 C7_S1107 - (30)20 3 / 23 / 17 14
74Rv3279c29 100% 0.560 PF08279 C5_S148 - (41)20 26 / - / 3 14
75Rv17946 100% 0.583 PF14011 6 - (0)? - / - / - 0
76Rv000220 100% 0.685 PF02768 3 - (0)? - / - / - 0
77Rv2431c15 100% 0.507 PF00934 5 - (0)? - / - / - 0
78Rv0985c8 100% 0.139 PF01741 5 - (0)? - / - / - 0
79Rv2996c32 100% 0.664 PF02826 C1_S166 - (50)9 - / 18 / - 3
80Rv167715 100% 0.759 PF00578 5 - (0)? - / - / - 0
81Rv308922 100% 0.574 PF13193 C1_S157 - (20)6 - / 2 / 4 4
82Rv0242c36 100% 0.626 PF00106 C2_S145 - (26)13 6 / 2 / 7 3
83Rv206917 100% 0.681 PF08281 0 - (0)? - / - / - 0
84Rv387410 100% 0.554 PF06013 8 - (0)? - / - / - 0
85Rv3020c16 100% 0.297 PF06013 4 - (0)? - / - / - 0
86Rv3881c15 100% 0.549 PF06013 3 - (0)1 - / - / - 0
87Rv2969c17 100% 0.639 PF01323 13 - (0)1 - / - / - 0
88Rv0533c33 100% 0.696 PF08541 C1_S144 - (26)20 2 / 5 / 20 6
89Rv0815c20 100% 0.500 PF00581 C2_S15 - (0)2 - / - / 3 0
90Rv2861c93 100% 0.650 PF00557 C2_S185 - (0)20 - / 11 / 58 28
91Rv37806 100% 0.506 PF01642 7 - (0)1 - / - / - 0
92Rv224321 100% 0.625 PF00698 C2_S118 - (14)9 - / 1 / 3 2
93Rv2925c17 100% 0.693 PF14622 C2_S122 - (0)6 - / - / 6 0
94Rv0153c19 100% 0.654 PF00782 2 - (0)? - / - / - 0
95Rv287512 100% 0.547 PF02469 0 - (0)? - / - / - 0
96Rv3608c61 100% 0.595 PF00809 C6_S176 - (30)20 - / 4 / 54 25
97Rv2150c48 100% 0.616 PF00091 C3_S157 - (0)10 1 / 29 / 13 5
98Rv3413c3 100% 0.583 PF16751 0 - (0)? - / - / - 0
99Rv044020 100% 0.629 PF00118 0 - (0)? - / - / - 0
100Rv1625c50 100% 0.701 PF00211 C6_S192 - (38)18 - / 1 / 31 5

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