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]
1Rv361791 51% 0.487 PF13419 C1_S1150 - (10)20 2 / 24 / 62 40
2Rv3602c105 99% 0.938 PF02569 C7_S1201 - (132)20 13 / 48 / 27 31
3Rv2861c93 100% 0.650 PF00557 C2_S185 - (0)20 - / 11 / 58 28
4Rv385535 100% 0.633 PF00440 C2_S156 - (0)20 13 / 19 / 1 26
5Rv073484 75% 0.599 PF00557 C2_S180 - (0)20 - / 1 / 57 26
6Rv2906c57 76% 0.457 PF01746 C9_S158 - (20)20 1 / 25 / 25 26
7Rv3608c61 100% 0.595 PF00809 C6_S176 - (30)20 - / 4 / 54 25
8Rv120770 100% 0.584 PF00809 C6_S184 - (31)20 - / - / 55 25
9Rv2068c89 100% 0.581 PF00905 C1_S1116 - (12)20 - / - / 57 25
10Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
11Rv3014c40 100% 0.419 PF03119 C4_S150 - (23)20 - / 9 / 30 20
12Rv2445c99 100% 0.587 PF00334 C7_S195 - (73)20 - / 27 / 60 20
13Rv2967c67 51% 0.503 PF02786 C1_S163 - (29)20 2 / 17 / 27 19
14Rv1703c50 38% 0.601 PF01596 C1_S182 - (35)20 8 / 30 / 13 18
15Rv328557 48% 0.465 PF02786 C3_S164 - (31)20 1 / 20 / 27 18
16Rv0973c61 47% 0.373 PF02786 C2_S160 - (29)20 2 / 14 / 31 18
17Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
18Rv174638 42% 0.545 PF00069 C3_S1101 - (20)20 2 / 15 / 11 15
19Rv3279c29 100% 0.560 PF08279 C5_S148 - (41)20 26 / - / 3 14
20Rv3382c60 51% 0.609 PF02401 C8_S1122 - (0)20 - / 2 / 74 14
21Rv033484 62% 0.570 PF00483 C1_S168 - (31)20 - / - / 75 14
22Rv2361c45 100% 0.584 PF01255 C7_S1107 - (30)20 3 / 23 / 17 14
23Rv095655 100% 0.693 PF00551 C3_S1147 - (19)20 - / 25 / 15 13
24Rv2501c56 54% 0.406 PF02786 C2_S163 - (31)20 2 / 15 / 30 13
25Rv143859 100% 0.618 PF00121 C7_S153 - (35)19 - / - / 32 12
26Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 12
27Rv111063 52% 0.627 PF02401 C7_S1126 - (0)20 - / 3 / 76 12
28Rv1018c49 100% 0.604 PF12804 C2_S154 - (36)19 2 / 31 / 9 12
29Rv2976c52 100% 0.615 PF03167 C9_S185 - (0)20 4 / 8 / 27 12
30Rv040935 78% 0.599 PF00871 C6_S161 - (51)20 2 / 9 / 17 12
31Rv1092c45 100% 0.495 PF00485 C3_S1110 - (37)20 6 / 33 / 5 11
32Rv1151c74 46% 0.517 PF02146 C5_S1179 - (0)20 21 / 42 / 19 11
33Rv3313c20 30% 0.416 PF00962 C3_S131 - (5)12 1 / 7 / 4 11
34Rv0946c55 99% 0.570 PF00342 C6_S140 - (39)20 - / - / 39 11
35Rv193845 100% 0.522 PF13419 C1_S1141 - (1)20 - / 2 / 26 10
36Rv000537 100% 0.477 PF01751 C3_S129 - (0)14 2 / 15 / 4 10
37Rv161282 100% 0.581 PF00291 C3_S196 - (88)18 7 / 13 / 39 10
38Rv3433c31 36% 0.502 PF03853 C3_S157 - (48)18 - / 9 / 13 10
39Rv2764c99 100% 0.654 PF00303 C8_S1162 - (95)20 - / 8 / 70 9
40Rv0429c90 100% 0.587 PF01327 C5_S1118 - (29)20 - / 15 / 52 9
41Rv153732 36% 0.473 PF11798 C2_S1135 - (130)16 - / - / 24 9
42Rv035089 66% 0.630 PF00012 C4_S1111 - (0)20 8 / 57 / 9 9
43Rv009129 34% 0.539 PF01048 C1_S148 - (0)19 - / 10 / 15 9
44Rv3624c71 100% 0.692 PF00156 C4_S1117 - (57)20 2 / 20 / 39 9
45Rv3398c47 50% 0.563 PF00348 C1_S169 - (54)19 - / - / 33 9
46Rv3247c20 100% 0.905 PF01712 C2_S1100 - (80)13 1 / 16 / 3 9
47Rv3397c32 33% 0.568 PF00494 C4_S149 - (0)18 2 / 2 / 13 9
48Rv2763c31 100% 0.917 PF00186 C4_S1153 - (80)14 24 / 4 / 4 9
49Rv346545 100% 0.917 PF00908 C3_S188 - (41)19 - / 1 / 31 9
50Rv143764 49% 0.645 PF00162 C9_S194 - (83)20 - / 30 / 22 9

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