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]
1Rv148478 100% 0.863 PF00106 C3_S1160 - (88)4 70 / 4 / - 3
2Rv213964 100% 0.601 PF01180 C2_S1223 - (131)8 59 / 7 / 3 2
3Rv162994 47% 0.566 PF00476 C5_S1274 - (200)13 58 / 22 / 23 2
4Rv1880c62 44% 0.492 PF00067 C7_S1161 - (0)6 58 / - / 3 1
5Rv297184 99% 0.622 PF00248 C6_S1148 - (120)15 55 / 9 / 4 4
6Rv3545c51 100% 0.540 PF00067 C4_S1151 - (0)7 45 / - / 1 2
7Rv226649 100% 0.536 PF00067 C7_S1153 - (0)5 44 / - / 2 1
8Rv077846 38% 0.483 PF00067 C6_S1140 - (0)3 41 / - / 1 1
9Rv073387 100% 0.697 PF05191 C1_S1157 - (144)13 40 / 39 / 3 4
10Rv1869c38 40% 0.570 PF02852 C1_S1162 - (102)3 38 / - / 1 1
11Rv391349 100% 0.537 PF07992 C1_S1130 - (112)11 36 / 5 / 6 5
12Rv3809c40 100% 0.587 PF03275 C1_S1137 - (87)6 35 / 2 / - 2
13Rv0799c38 60% 0.564 PF04261 C3_S150 - (0)4 35 / - / 1 1
14Rv379034 100% 0.511 PF01565 C1_S1103 - (55)3 34 / - / 1 1
15Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
16Rv046243 100% 0.542 PF02852 C2_S165 - (58)2 30 / 4 / - 1
17Rv015737 62% 0.403 PF02776 C6_S145 - (37)10 30 / - / 2 4
18Rv331849 49% 0.495 PF02910 C2_S149 - (44)6 29 / - / 3 3
19Rv155249 55% 0.572 PF02910 C1_S151 - (45)5 28 / 1 / 1 2
20Rv068832 37% 0.606 PF02852 C1_S1165 - (104)6 27 / 1 / 4 3
21Rv0248c49 39% 0.515 PF02910 C3_S149 - (44)7 27 / - / 3 4
22Rv3279c29 100% 0.560 PF08279 C5_S148 - (41)20 26 / - / 3 14
23Rv2763c31 100% 0.917 PF00186 C4_S1153 - (80)14 24 / 4 / 4 9
24Rv275037 76% 0.578 PF00106 C1_S1114 - (80)5 24 / - / 1 2
25Rv346424 61% 0.521 PF16363 C1_S181 - (73)4 24 / - / - 2
26Rv068725 80% 0.565 PF00106 C1_S1118 - (87)2 24 / - / - 1
27Rv1151c74 46% 0.517 PF02146 C5_S1179 - (0)20 21 / 42 / 19 11
28Rv3339c46 100% 0.451 PF00180 C8_S185 - (81)11 21 / 15 / 6 4
29Rv354724 100% 0.636 PF04075 C5_S135 - (0)2 20 / 1 / - 1
30Rv2027c20 100% 0.570 PF07730 C1_S129 - (0)4 20 / - / 1 2
31Rv3132c20 100% 0.636 PF07730 C2_S129 - (2)2 20 / - / - 1
32Rv114435 88% 0.585 PF00106 C1_S197 - (70)12 19 / 9 / 6 5
33Rv1872c38 38% 0.598 PF01070 C5_S171 - (49)13 19 / 2 / 7 2
34Rv1542c24 100% 0.610 PF01152 C6_S1105 - (0)8 19 / - / 3 2
35Rv271327 36% 0.510 PF02852 C2_S155 - (49)2 19 / - / - 1
36Rv021150 100% 0.651 PF00821 C11_S167 - (48)20 17 / 12 / 10 8
37Rv227623 100% 0.789 PF00067 C5_S1114 - (0)2 17 / - / - 1
38Rv0764c33 100% 0.800 PF00067 C5_S1140 - (3)13 16 / 3 / 11 2
39Rv3518c30 100% 0.480 PF00067 C6_S1147 - (0)7 16 / 2 / 1 2
40Rv0766c36 37% 0.479 PF00067 C7_S1131 - (0)7 16 / - / 4 1
41Rv3028c21 48% 0.576 PF00766 C6_S125 - (23)3 16 / - / - 1
42Rv171538 37% 0.455 PF02737 C3_S153 - (43)4 14 / 8 / - 2
43Rv224541 100% 0.582 PF02801 C3_S167 - (5)20 14 / 7 / 9 8
44Rv0400c35 69% 0.535 PF02771 C2_S162 - (45)6 14 / 4 / 2 4
45Rv076935 81% 0.586 PF00106 C1_S175 - (54)4 14 / 3 / - 2
46Rv3602c105 99% 0.938 PF02569 C7_S1201 - (132)20 13 / 48 / 27 31
47Rv385535 100% 0.633 PF00440 C2_S156 - (0)20 13 / 19 / 1 26
48Rv308548 38% 0.516 PF00106 C1_S1117 - (85)11 13 / 18 / 3 4
49Rv154452 45% 0.557 PF00106 C1_S1135 - (86)13 13 / 12 / 7 3
50Rv3248c35 100% 0.559 PF00670 C4_S142 - (28)10 13 / 6 / 2 3

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