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]
1Rv3602c105 99% 0.938 PF02569 C7_S1201 - (132)20 13 / 48 / 27 31
2Rv328557 48% 0.465 PF02786 C3_S164 - (31)20 1 / 20 / 27 18
3Rv2967c67 51% 0.503 PF02786 C1_S163 - (29)20 2 / 17 / 27 19
4Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 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
7Rv143764 49% 0.645 PF00162 C9_S194 - (83)20 - / 30 / 22 9
8Rv0429c90 100% 0.587 PF01327 C5_S1118 - (29)20 - / 15 / 52 9
9Rv073484 75% 0.599 PF00557 C2_S180 - (0)20 - / 1 / 57 26
10Rv3708c36 100% 0.508 PF00044 C3_S177 - (45)20 9 / 13 / 18 9
11Rv224541 100% 0.582 PF02801 C3_S167 - (5)20 14 / 7 / 9 8
12Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
13Rv3581c81 75% 0.573 PF02542 C11_S186 - (66)20 - / - / 64 3
14Rv035089 66% 0.630 PF00012 C4_S1111 - (0)20 8 / 57 / 9 9
15Rv2976c52 100% 0.615 PF03167 C9_S185 - (0)20 4 / 8 / 27 12
16Rv233469 100% 0.520 PF00291 C3_S184 - (54)20 - / 9 / 58 9
17Rv3608c61 100% 0.595 PF00809 C6_S176 - (30)20 - / 4 / 54 25
18Rv2361c45 100% 0.584 PF01255 C7_S1107 - (30)20 3 / 23 / 17 14
19Rv1151c74 46% 0.517 PF02146 C5_S1179 - (0)20 21 / 42 / 19 11
20Rv033484 62% 0.570 PF00483 C1_S168 - (31)20 - / - / 75 14
21Rv1703c50 38% 0.601 PF01596 C1_S182 - (35)20 8 / 30 / 13 18
22Rv385535 100% 0.633 PF00440 C2_S156 - (0)20 13 / 19 / 1 26
23Rv193845 100% 0.522 PF13419 C1_S1141 - (1)20 - / 2 / 26 10
24Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
25Rv040935 78% 0.599 PF00871 C6_S161 - (51)20 2 / 9 / 17 12
26Rv095655 100% 0.693 PF00551 C3_S1147 - (19)20 - / 25 / 15 13
27Rv0761c55 38% 0.502 PF00107 C1_S1143 - (88)20 2 / 8 / 35 1
28Rv0162c58 34% 0.540 PF00107 C1_S1158 - (115)20 1 / - / 35 5
29Rv0533c33 100% 0.696 PF08541 C1_S144 - (26)20 2 / 5 / 20 6
30Rv247164 47% 0.594 PF16657 C1_S1111 - (0)20 - / 1 / 43 9
31Rv0357c49 51% 0.561 PF00709 C8_S188 - (66)20 - / 40 / 9 8
32Rv174638 42% 0.545 PF00069 C3_S1101 - (20)20 2 / 15 / 11 15
33Rv138063 37% 0.582 PF02729 C7_S169 - (46)20 - / 24 / 14 8
34Rv111063 52% 0.627 PF02401 C7_S1126 - (0)20 - / 3 / 76 12
35Rv3014c40 100% 0.419 PF03119 C4_S150 - (23)20 - / 9 / 30 20
36Rv2861c93 100% 0.650 PF00557 C2_S185 - (0)20 - / 11 / 58 28
37Rv021150 100% 0.651 PF00821 C11_S167 - (48)20 17 / 12 / 10 8
38Rv0946c55 99% 0.570 PF00342 C6_S140 - (39)20 - / - / 39 11
39Rv120770 100% 0.584 PF00809 C6_S184 - (31)20 - / - / 55 25
40Rv2764c99 100% 0.654 PF00303 C8_S1162 - (95)20 - / 8 / 70 9
41Rv361791 51% 0.487 PF13419 C1_S1150 - (10)20 2 / 24 / 62 40
42Rv1092c45 100% 0.495 PF00485 C3_S1110 - (37)20 6 / 33 / 5 11
43Rv224639 100% 0.526 PF02801 C3_S169 - (6)20 - / 22 / 5 7
44Rv126353 41% 0.495 PF01425 C6_S153 - (0)20 - / - / 28 0
45Rv2210c86 100% 0.522 PF01063 C8_S1182 - (138)20 - / 13 / 77 8
46Rv2906c57 76% 0.457 PF01746 C9_S158 - (20)20 1 / 25 / 25 26
47Rv3382c60 51% 0.609 PF02401 C8_S1122 - (0)20 - / 2 / 74 14
48Rv3411c59 97% 0.484 PF00478 C2_S181 - (56)20 - / 22 / 30 6
49Rv0973c61 47% 0.373 PF02786 C2_S160 - (29)20 2 / 14 / 31 18
50Rv2068c89 100% 0.581 PF00905 C1_S1116 - (12)20 - / - / 57 25

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