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]
1Rv00984 100% 0.419 PF03061 C5_S19 - (0)2 - / - / 4 2
2Rv2697c80 100% 0.640 PF00692 C4_S1179 - (144)16 - / - / 69 4
3Rv04313 100% 0.579 PF03911 2 - (0)? - / - / - 0
4Rv28445 100% 0.401 PF00210 5 - (0)? - / - / - 0
5Rv271120 100% 0.903 PF01325 2 - (0)? - / - / - 0
6Rv0223c21 100% 0.577 PF00171 30 - (30)1 - / - / - 0
7Rv1449c21 100% 0.618 PF00456 C1_S17 - (0)2 - / - / 1 1
8Rv157010 100% 0.524 PF02374 C1_S153 - (45)3 - / 3 / 1 1
9Rv1326c20 100% 0.559 PF02922 10 - (0)? - / - / - 0
10Rv227623 100% 0.789 PF00067 C5_S1114 - (0)2 17 / - / - 1
11Rv3315c52 100% 0.583 PF00383 C4_S169 - (51)14 - / - / 33 6
12Rv2386c25 100% 0.605 PF00425 C1_S117 - (0)9 - / 1 / 7 5
13Rv310620 100% 0.654 PF07992 C4_S146 - (35)2 9 / - / - 1
14Rv1908c27 100% 0.476 PF00141 C5_S131 - (0)6 6 / - / 1 2
15Rv3809c40 100% 0.587 PF03275 C1_S1137 - (87)6 35 / 2 / - 2
16Rv163615 100% 0.588 PF00582 C2_S147 - (0)3 - / 6 / - 1
17Rv2175c18 100% 0.590 PF01680 7 - (0)? - / - / - 0
18Rv162612 100% 0.699 PF00072 5 - (0)1 - / - / - 0
19Rv3646c20 100% 0.518 PF01396 C1_S112 - (0)6 2 / - / 5 2
20Rv133515 100% 0.654 PF02597 1 - (0)? - / - / - 0
21Rv0548c20 100% 0.490 PF00378 0 - (0)? - / - / - 0
22Rv124029 100% 0.542 PF00056 C4_S148 - (31)10 9 / 10 / 3 4
23Rv224321 100% 0.625 PF00698 C2_S118 - (14)9 - / 1 / 3 2
24Rv128425 100% 0.611 PF00484 8 - (0)2 - / - / - 0
25Rv3392c22 100% 0.809 PF02353 C1_S150 - (28)9 3 / 18 / 2 5
26Rv165220 100% 0.568 PF02774 C1_S125 - (12)3 4 / 1 / - 1
27Rv3566c20 100% 0.476 PF00797 C5_S117 - (13)8 - / 3 / 5 3
28Rv223426 100% 0.570 PF01451 C7_S118 - (2)10 - / - / 8 4
29Rv133647 100% 0.561 PF00291 C4_S186 - (60)18 - / 1 / 31 8
30Rv048946 100% 0.524 PF00300 C2_S146 - (39)13 - / - / 23 6
31Rv000220 100% 0.685 PF02768 3 - (0)? - / - / - 0
32Rv046721 100% 0.688 PF00463 C5_S116 - (8)5 - / - / 2 1
33Rv129521 100% 0.406 PF00291 C2_S139 - (33)4 - / 2 / 7 2
34Rv147818 100% ? PF00877 C3_S114 - (0)4 - / - / 3 1
35Rv3518c30 100% 0.480 PF00067 C6_S1147 - (0)7 16 / 2 / 1 2
36Rv206917 100% 0.681 PF08281 0 - (0)? - / - / - 0
37Rv2178c22 100% 0.630 PF01474 C6_S112 - (8)7 - / 2 / 3 3
38Rv006220 100% 0.629 PF01341 C4_S163 - (49)13 - / 1 / 10 4
39Rv3378c20 100% 0.656 PF01255 C5_S128 - (0)7 - / 2 / 4 4
40Rv2987c16 100% 0.532 PF00694 5 - (5)? - / - / - 0
41Rv326215 100% 0.541 PF00881 C5_S170 - (39)5 - / 6 / 1 2
42Rv062612 100% 0.652 PF02604 0 - (0)? - / - / - 0
43Rv2837c15 100% 0.483 PF02833 C4_S17 - (0)2 - / 2 / - 0
44Rv073611 100% 0.496 PF13490 0 - (0)? - / - / - 0
45Rv143859 100% 0.618 PF00121 C7_S153 - (35)19 - / - / 32 12
46Rv239123 100% 0.524 PF03460 C2_S162 - (21)5 6 / - / 16 1
47Rv2754c19 100% 0.616 PF02511 C5_S171 - (55)3 - / 2 / 1 1
48Rv2523c13 100% 0.530 PF01648 C6_S130 - (27)1 - / 1 / - 1
49Rv181619 100% 0.632 PF00440 C1_S129 - (0)? - / - / 2 0
50Rv165320 100% 0.635 PF01960 66 - (0)? - / - / - 0

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