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]
150Rv0447c20 41% 0.554 PF02353 C3_S156 - (35)11 - / 9 / 11 1
151Rv2737c32 100% 0.614 PF09336 C2_S132 - (0)11 - / 11 / 14 5
152Rv0425c41 32% 0.345 PF08282 C1_S134 - (25)11 - / - / 14 2
153Rv164926 48% 0.378 PF01409 C3_S126 - (13)11 2 / 6 / 6 8
154Rv1865c41 37% 0.547 PF00106 C2_S1108 - (74)11 12 / 6 / 4 4
155Rv3568c24 100% 0.560 PF00903 C2_S132 - (22)11 - / - / 14 7
156Rv094533 37% 0.719 PF00106 C1_S1114 - (68)11 4 / 3 / 8 2
157Rv013427 42% 0.479 PF00561 C1_S141 - (6)11 - / 1 / 10 4
158Rv009232 40% 0.404 PF00403 C2_S117 - (0)11 - / 3 / 9 3
159Rv3339c46 100% 0.451 PF00180 C8_S185 - (81)11 21 / 15 / 6 4
160Rv0642c22 100% ? PF02353 C1_S147 - (25)11 3 / 20 / 2 1
161Rv308548 38% 0.516 PF00106 C1_S1117 - (85)11 13 / 18 / 3 4
162Rv0643c22 68% 0.609 PF02353 C1_S145 - (26)11 2 / 21 / 2 4
163Rv170027 100% 0.824 PF00293 C2_S152 - (31)11 - / - / 11 3
164Rv3336c29 52% 0.625 PF00579 C4_S138 - (29)11 6 / 1 / 8 3
165Rv0503c21 100% 0.579 PF02353 C2_S151 - (26)11 3 / 20 / 2 2
166Rv2857c35 85% 0.584 PF00106 C1_S1110 - (86)11 8 / 10 / 5 4
167Rv1399c39 46% 0.584 PF00135 C1_S170 - (0)11 - / - / 12 2
168Rv3834c33 42% 0.540 PF00587 C3_S132 - (30)11 - / 20 / 7 6
169Rv120822 100% 0.553 PF00535 C4_S151 - (22)11 2 / 6 / 11 5
170Rv143326 99% 0.594 PF03734 C3_S121 - (0)11 - / - / 3 2
171Rv2539c34 100% 1.016 PF01202 C2_S175 - (65)11 - / 18 / 13 7
172Rv339131 41% 0.454 PF00106 C1_S172 - (47)11 1 / 5 / 3 2
173Rv1538c43 35% 0.535 PF00710 C10_S135 - (31)11 - / - / 28 3
174Rv3001c23 100% 0.420 PF07991 C2_S142 - (0)11 6 / 7 / 4 4
175Rv391349 100% 0.537 PF07992 C1_S1130 - (112)11 36 / 5 / 6 5
176Rv161740 43% 0.583 PF02887 C8_S126 - (3)11 - / - / 10 4
177Rv123843 51% 0.497 PF08402 C1_S133 - (0)10 - / 7 / 16 5
178Rv3598c31 42% 0.542 PF01336 C6_S144 - (28)10 - / 7 / 1 4
179Rv012639 100% 0.581 PF16657 C1_S141 - (0)10 - / - / 13 5
180Rv340654 100% 0.558 PF02668 C4_S162 - (41)10 - / - / 20 4
181Rv090520 100% 0.528 PF00378 C1_S127 - (0)10 - / 11 / - 5
182Rv3436c28 46% 0.616 PF01380 C2_S115 - (14)10 - / - / 11 5
183Rv3248c35 100% 0.559 PF00670 C4_S142 - (28)10 13 / 6 / 2 3
184Rv2947c29 67% 0.531 PF02801 C3_S119 - (5)10 - / 3 / 8 6
185Rv0198c18 100% 0.490 PF05649 C4_S124 - (0)10 - / 5 / 8 6
186Rv246736 35% 0.370 PF01433 C5_S138 - (6)10 - / 1 / 17 1
187Rv102351 62% 0.540 PF03952 C1_S135 - (32)10 - / 3 / 26 6
188Rv3758c44 42% 0.436 PF08402 C1_S126 - (0)10 - / 4 / 21 5
189Rv2832c43 47% 0.455 PF08402 C1_S133 - (0)10 - / 5 / 18 5
190Rv161124 100% 0.642 PF00218 C2_S131 - (6)10 - / 5 / 4 5
191Rv2157c20 34% 0.506 PF08245 C2_S149 - (20)10 1 / 3 / 4 4
192Rv2970c35 45% 0.520 PF00135 C1_S135 - (0)10 - / - / 7 2
193Rv165549 45% 0.597 PF00202 C1_S158 - (34)10 - / 5 / 18 4
194Rv124029 100% 0.542 PF00056 C4_S148 - (31)10 9 / 10 / 3 4
195Rv3663c30 39% 0.508 PF08402 C2_S112 - (0)10 - / - / 9 5
196Rv0422c30 48% 0.479 PF08543 C2_S156 - (41)10 - / 1 / 6 1
197Rv185947 40% 0.470 PF08402 C1_S139 - (0)10 - / - / 27 5
198Rv2150c48 100% 0.616 PF00091 C3_S157 - (0)10 1 / 29 / 13 5
199Rv134861 47% 0.382 PF00005 C3_S154 - (54)10 - / 34 / 12 6
200Rv107935 86% 0.562 PF01053 C1_S126 - (20)10 - / 1 / 15 5

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