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]
1Rv2925c17 100% 0.693 PF14622 C2_S122 - (0)6 - / - / 6 0
2Rv067520 100% 0.530 PF00378 23 - (7)? - / - / - 0
3Rv0202c8 100% 0.354 PF00873 0 - (0)? - / - / - 0
4Rv239123 100% 0.524 PF03460 C2_S162 - (21)5 6 / - / 16 1
5Rv3557c15 100% 0.614 PF00440 C1_S125 - (0)1 2 / - / - 1
6Rv021150 100% 0.651 PF00821 C11_S167 - (48)20 17 / 12 / 10 8
7Rv2966c19 100% 0.656 PF00145 54 - (36)? - / - / - 0
8Rv092820 100% 0.459 PF12849 3 - (0)? - / - / - 0
9Rv2111c5 100% 0.642 PF01751 4 - (0)? - / - / - 0
10Rv23024 100% 0.574 PF00628 4 - (0)? - / - / - 0
11Rv167715 100% 0.759 PF00578 5 - (0)? - / - / - 0
12Rv3534c18 100% 0.618 PF00682 C2_S118 - (12)1 - / - / 1 1
13Rv262317 100% 0.575 PF00582 C4_S138 - (0)2 - / 1 / 1 1
14Rv0445c17 100% 0.674 PF04545 0 - (0)? - / - / - 0
15Rv3361c10 100% 0.465 PF13599 0 - (0)? - / - / - 0
16Rv3053c16 100% 0.757 PF00462 C4_S11 - (0)1 - / - / 1 0
17Rv025320 100% 0.563 PF00355 15 - (0)? - / - / - 0
18Rv165430 100% 0.604 PF00696 C2_S139 - (32)5 - / - / 7 2
19Rv3220c19 100% 0.619 PF01751 6 - (0)? - / - / - 0
20Rv160322 100% 0.750 PF00977 C1_S133 - (0)8 2 / 4 / 2 5
21Rv2027c20 100% 0.570 PF07730 C1_S129 - (0)4 20 / - / 1 2
22Rv1326c20 100% 0.559 PF02922 10 - (0)? - / - / - 0
23Rv0642c22 100% ? PF02353 C1_S147 - (25)11 3 / 20 / 2 1
24Rv073611 100% 0.496 PF13490 0 - (0)? - / - / - 0
25Rv165737 100% 0.684 PF02863 C10_S1168 - (0)4 - / - / 18 2
26Rv354621 100% 0.484 PF00108 C7_S115 - (6)4 - / - / 3 2
27Rv287410 100% 0.554 PF00578 5 - (0)? - / - / - 0
28Rv1411c17 100% 0.550 PF07161 C6_S116 - (0)2 2 / - / - 2
29Rv184720 100% 0.565 PF03061 C1_S165 - (0)2 - / - / 1 0
30Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
31Rv3541c19 100% 0.481 PF01575 9 - (0)1 - / - / - 0
32Rv1098c30 100% 0.495 PF00206 C3_S116 - (10)7 - / - / 7 2
33Rv161124 100% 0.642 PF00218 C2_S131 - (6)10 - / 5 / 4 5
34Rv271120 100% 0.903 PF01325 2 - (0)? - / - / - 0
35Rv2118c22 100% 0.557 PF08704 C1_S138 - (25)4 3 / 10 / 4 0
36Rv387515 100% 0.661 PF06013 4 - (0)? - / - / - 0
37Rv1885c19 100% 0.618 PF01817 C2_S114 - (8)1 - / 1 / - 1
38Rv222520 100% 0.542 PF02548 9 - (3)1 - / - / - 0
39Rv3809c40 100% 0.587 PF03275 C1_S1137 - (87)6 35 / 2 / - 2
40Rv062418 100% 0.502 PF01850 1 - (0)? - / - / - 0
41Rv124029 100% 0.542 PF00056 C4_S148 - (31)10 9 / 10 / 3 4
42Rv3462c15 100% 0.683 PF01176 0 - (0)? - / - / - 0
43Rv0533c33 100% 0.696 PF08541 C1_S144 - (26)20 2 / 5 / 20 6
44Rv166520 100% 0.657 PF00195 23 - (8)? - / - / - 0
45Rv2717c16 100% 0.565 PF08768 9 - (0)? - / - / - 0
46Rv3569c28 100% 0.601 PF12697 C1_S144 - (4)14 - / - / 15 7
47Rv3303c20 100% 0.536 PF02852 C1_S139 - (35)1 2 / - / - 1
48Rv2346c15 100% 0.303 PF06013 3 - (0)? - / - / - 0
49Rv18253 100% 0.667 PF00512 7 - (0)? - / - / - 0
50Rv3583c14 100% 0.661 PF00166 3 - (0)? - / - / - 0

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