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]
150Rv0470c22 100% 0.789 PF02353 C1_S154 - (28)11 3 / 18 / 3 4
151Rv3834c33 42% 0.540 PF00587 C3_S132 - (30)11 - / 20 / 7 6
152Rv1399c39 46% 0.584 PF00135 C1_S170 - (0)11 - / - / 12 2
153Rv339131 41% 0.454 PF00106 C1_S172 - (47)11 1 / 5 / 3 2
154Rv0643c22 68% 0.609 PF02353 C1_S145 - (26)11 2 / 21 / 2 4
155Rv161740 43% 0.583 PF02887 C8_S126 - (3)11 - / - / 10 4
156Rv2539c34 100% 1.016 PF01202 C2_S175 - (65)11 - / 18 / 13 7
157Rv0447c20 41% 0.554 PF02353 C3_S156 - (35)11 - / 9 / 11 1
158Rv120822 100% 0.553 PF00535 C4_S151 - (22)11 2 / 6 / 11 5
159Rv1844c29 56% 0.616 PF03446 C2_S131 - (17)11 - / 3 / 11 6
160Rv3336c29 52% 0.625 PF00579 C4_S138 - (29)11 6 / 1 / 8 3
161Rv391349 100% 0.537 PF07992 C1_S1130 - (112)11 36 / 5 / 6 5
162Rv2737c32 100% 0.614 PF09336 C2_S132 - (0)11 - / 11 / 14 5
163Rv013427 42% 0.479 PF00561 C1_S141 - (6)11 - / 1 / 10 4
164Rv0642c22 100% ? PF02353 C1_S147 - (25)11 3 / 20 / 2 1
165Rv094533 37% 0.719 PF00106 C1_S1114 - (68)11 4 / 3 / 8 2
166Rv3568c24 100% 0.560 PF00903 C2_S132 - (22)11 - / - / 14 7
167Rv170027 100% 0.824 PF00293 C2_S152 - (31)11 - / - / 11 3
168Rv1865c41 37% 0.547 PF00106 C2_S1108 - (74)11 12 / 6 / 4 4
169Rv1538c43 35% 0.535 PF00710 C10_S135 - (31)11 - / - / 28 3
170Rv3339c46 100% 0.451 PF00180 C8_S185 - (81)11 21 / 15 / 6 4
171Rv0425c41 32% 0.345 PF08282 C1_S134 - (25)11 - / - / 14 2
172Rv3485c30 84% 0.565 PF00106 C1_S1123 - (66)11 - / 4 / 6 3
173Rv0503c21 100% 0.579 PF02353 C2_S151 - (26)11 3 / 20 / 2 2
174Rv143326 99% 0.594 PF03734 C3_S121 - (0)11 - / - / 3 2
175Rv164926 48% 0.378 PF01409 C3_S126 - (13)11 2 / 6 / 6 8
176Rv308548 38% 0.516 PF00106 C1_S1117 - (85)11 13 / 18 / 3 4
177Rv012639 100% 0.581 PF16657 C1_S141 - (0)10 - / - / 13 5
178Rv147336 33% 0.495 PF00005 C1_S127 - (0)10 - / 16 / 5 5
179Rv3419c22 48% 0.532 PF00814 C3_S136 - (26)10 - / 13 / 4 5
180Rv2500c34 45% 0.466 PF02771 C2_S156 - (47)10 3 / 16 / 4 4
181Rv3598c31 42% 0.542 PF01336 C6_S144 - (28)10 - / 7 / 1 4
182Rv0644c22 100% 0.658 PF02353 C1_S148 - (24)10 3 / 17 / 4 4
183Rv2157c20 34% 0.506 PF08245 C2_S149 - (20)10 1 / 3 / 4 4
184Rv185947 40% 0.470 PF08402 C1_S139 - (0)10 - / - / 27 5
185Rv2380c26 39% 0.499 PF00550 C1_S153 - (26)10 1 / 10 / 2 6
186Rv0422c30 48% 0.479 PF08543 C2_S156 - (41)10 - / 1 / 6 1
187Rv165549 45% 0.597 PF00202 C1_S158 - (34)10 - / 5 / 18 4
188Rv039121 100% 0.489 PF01053 C1_S126 - (19)10 - / - / 14 5
189Rv223426 100% 0.570 PF01451 C7_S118 - (2)10 - / - / 8 4
190Rv2947c29 67% 0.531 PF02801 C3_S119 - (5)10 - / 3 / 8 6
191Rv2832c43 47% 0.455 PF08402 C1_S133 - (0)10 - / 5 / 18 5
192Rv3314c26 47% 0.530 PF07831 C10_S127 - (3)10 - / - / 14 4
193Rv102351 62% 0.540 PF03952 C1_S135 - (32)10 - / 3 / 26 6
194Rv156924 76% 0.613 PF00155 C1_S133 - (22)10 - / - / 11 5
195Rv246736 35% 0.370 PF01433 C5_S138 - (6)10 - / 1 / 17 1
196Rv124029 100% 0.542 PF00056 C4_S148 - (31)10 9 / 10 / 3 4
197Rv161124 100% 0.642 PF00218 C2_S131 - (6)10 - / 5 / 4 5
198Rv123843 51% 0.497 PF08402 C1_S133 - (0)10 - / 7 / 16 5
199Rv2038c47 50% 0.499 PF08402 C1_S137 - (0)10 - / 4 / 23 5
200Rv2970c35 45% 0.520 PF00135 C1_S135 - (0)10 - / - / 7 2

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