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]
1Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
2Rv0858c45 100% 0.666 PF00155 C1_S171 - (47)20 - / 4 / 31 6
3Rv2764c99 100% 0.654 PF00303 C8_S1162 - (95)20 - / 8 / 70 9
4Rv2976c52 100% 0.615 PF03167 C9_S185 - (0)20 4 / 8 / 27 12
5Rv000999 100% 0.662 PF00160 C6_S1140 - (0)20 - / 43 / 26 5
6Rv2445c99 100% 0.587 PF00334 C7_S195 - (73)20 - / 27 / 60 20
7Rv073484 75% 0.599 PF00557 C2_S180 - (0)20 - / 1 / 57 26
8Rv2210c86 100% 0.522 PF01063 C8_S1182 - (138)20 - / 13 / 77 8
9Rv2906c57 76% 0.457 PF01746 C9_S158 - (20)20 1 / 25 / 25 26
10Rv3708c36 100% 0.508 PF00044 C3_S177 - (45)20 9 / 13 / 18 9
11Rv328557 48% 0.465 PF02786 C3_S164 - (31)20 1 / 20 / 27 18
12Rv0162c58 34% 0.540 PF00107 C1_S1158 - (115)20 1 / - / 35 5
13Rv3608c61 100% 0.595 PF00809 C6_S176 - (30)20 - / 4 / 54 25
14Rv095655 100% 0.693 PF00551 C3_S1147 - (19)20 - / 25 / 15 13
15Rv361791 51% 0.487 PF13419 C1_S1150 - (10)20 2 / 24 / 62 40
16Rv0761c55 38% 0.502 PF00107 C1_S1143 - (88)20 2 / 8 / 35 1
17Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
18Rv247164 47% 0.594 PF16657 C1_S1111 - (0)20 - / 1 / 43 9
19Rv1151c74 46% 0.517 PF02146 C5_S1179 - (0)20 21 / 42 / 19 11
20Rv0946c55 99% 0.570 PF00342 C6_S140 - (39)20 - / - / 39 11
21Rv3279c29 100% 0.560 PF08279 C5_S148 - (41)20 26 / - / 3 14
22Rv126353 41% 0.495 PF01425 C6_S153 - (0)20 - / - / 28 0
23Rv2068c89 100% 0.581 PF00905 C1_S1116 - (12)20 - / - / 57 25
24Rv2361c45 100% 0.584 PF01255 C7_S1107 - (30)20 3 / 23 / 17 14
25Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 12
26Rv3382c60 51% 0.609 PF02401 C8_S1122 - (0)20 - / 2 / 74 14
27Rv3624c71 100% 0.692 PF00156 C4_S1117 - (57)20 2 / 20 / 39 9
28Rv035089 66% 0.630 PF00012 C4_S1111 - (0)20 8 / 57 / 9 9
29Rv138063 37% 0.582 PF02729 C7_S169 - (46)20 - / 24 / 14 8
30Rv174638 42% 0.545 PF00069 C3_S1101 - (20)20 2 / 15 / 11 15
31Rv0533c33 100% 0.696 PF08541 C1_S144 - (26)20 2 / 5 / 20 6
32Rv3602c105 99% 0.938 PF02569 C7_S1201 - (132)20 13 / 48 / 27 31
33Rv0357c49 51% 0.561 PF00709 C8_S188 - (66)20 - / 40 / 9 8
34Rv021150 100% 0.651 PF00821 C11_S167 - (48)20 17 / 12 / 10 8
35Rv224639 100% 0.526 PF02801 C3_S169 - (6)20 - / 22 / 5 7
36Rv2501c56 54% 0.406 PF02786 C2_S163 - (31)20 2 / 15 / 30 13
37Rv2967c67 51% 0.503 PF02786 C1_S163 - (29)20 2 / 17 / 27 19
38Rv2861c93 100% 0.650 PF00557 C2_S185 - (0)20 - / 11 / 58 28
39Rv224541 100% 0.582 PF02801 C3_S167 - (5)20 14 / 7 / 9 8
40Rv1703c50 38% 0.601 PF01596 C1_S182 - (35)20 8 / 30 / 13 18
41Rv118762 99% 0.529 PF00171 C3_S179 - (0)20 2 / 21 / 16 6
42Rv193845 100% 0.522 PF13419 C1_S1141 - (1)20 - / 2 / 26 10
43Rv3581c81 75% 0.573 PF02542 C11_S186 - (66)20 - / - / 64 3
44Rv040935 78% 0.599 PF00871 C6_S161 - (51)20 2 / 9 / 17 12
45Rv0973c61 47% 0.373 PF02786 C2_S160 - (29)20 2 / 14 / 31 18
46Rv385535 100% 0.633 PF00440 C2_S156 - (0)20 13 / 19 / 1 26
47Rv0429c90 100% 0.587 PF01327 C5_S1118 - (29)20 - / 15 / 52 9
48Rv233469 100% 0.520 PF00291 C3_S184 - (54)20 - / 9 / 58 9
49Rv3411c59 97% 0.484 PF00478 C2_S181 - (56)20 - / 22 / 30 6
50Rv143764 49% 0.645 PF00162 C9_S194 - (83)20 - / 30 / 22 9

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