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]
150Rv220737 49% 0.532 PF02277 C10_S166 - (41)17 - / - / 21 7
151Rv3696c37 63% 0.515 PF00370 C4_S156 - (56)14 - / 3 / 17 4
152Rv1354c37 39% 0.475 PF00196 C3_S134 - (0)6 1 / 8 / 12 2
153Rv165737 100% 0.684 PF02863 C10_S1168 - (0)4 - / - / 18 2
154Rv047837 82% 0.622 PF01791 C2_S137 - (10)8 - / - / 11 1
155Rv275037 76% 0.578 PF00106 C1_S1114 - (80)5 24 / - / 1 2
156Rv015737 62% 0.403 PF02776 C6_S145 - (37)10 30 / - / 2 4
157Rv314036 36% 0.417 PF02771 C2_S156 - (44)9 1 / 16 / - 5
158Rv147336 33% 0.495 PF00005 C1_S127 - (0)10 - / 16 / 5 5
159Rv1014c36 100% 0.557 PF01195 C6_S119 - (0)12 - / 1 / 8 4
160Rv3708c36 100% 0.508 PF00044 C3_S177 - (45)20 9 / 13 / 18 9
161Rv0752c36 53% 0.537 PF02771 C2_S156 - (51)4 1 / 15 / 5 2
162Rv0242c36 100% 0.626 PF00106 C2_S145 - (26)13 6 / 2 / 7 3
163Rv296436 58% 0.570 PF00551 C4_S174 - (18)9 - / 10 / 3 6
164Rv246736 35% 0.370 PF01433 C5_S138 - (6)10 - / 1 / 17 1
165Rv3582c36 100% 0.522 PF01128 C2_S144 - (29)16 - / 22 / 9 4
166Rv052436 51% 0.520 PF00202 C2_S157 - (27)14 - / - / 36 5
167Rv0766c36 37% 0.479 PF00067 C7_S1131 - (0)7 16 / - / 4 1
168Rv199736 34% 0.380 PF08282 C1_S134 - (25)9 - / 5 / 9 3
169Rv082035 34% 0.562 PF00005 C1_S130 - (0)12 - / 13 / 14 6
170Rv046835 51% 0.572 PF02737 C4_S142 - (41)6 2 / 13 / 9 2
171Rv023735 70% 0.497 PF00933 C2_S138 - (16)18 - / - / 18 4
172Rv107935 86% 0.562 PF01053 C1_S126 - (20)10 - / 1 / 15 5
173Rv2970c35 45% 0.520 PF00135 C1_S135 - (0)10 - / - / 7 2
174Rv148335 100% 0.595 PF00106 C1_S158 - (36)12 7 / 5 / 2 3
175Rv114435 88% 0.585 PF00106 C1_S197 - (70)12 19 / 9 / 6 5
176Rv0400c35 69% 0.535 PF02771 C2_S162 - (45)6 14 / 4 / 2 4
177Rv2857c35 85% 0.584 PF00106 C1_S1110 - (86)11 8 / 10 / 5 4
178Rv0374c35 59% 0.604 PF01799 C8_S134 - (17)7 - / - / 7 0
179Rv040935 78% 0.599 PF00871 C6_S161 - (51)20 2 / 9 / 17 12
180Rv3248c35 100% 0.559 PF00670 C4_S142 - (28)10 13 / 6 / 2 3
181Rv076935 81% 0.586 PF00106 C1_S175 - (54)4 14 / 3 / - 2
182Rv385535 100% 0.633 PF00440 C2_S156 - (0)20 13 / 19 / 1 26
183Rv3356c35 100% 0.528 PF02882 C8_S147 - (34)14 3 / 15 / 7 4
184Rv1245c34 37% 0.518 PF00106 C2_S1104 - (73)9 5 / 10 / 1 3
185Rv2539c34 100% 1.016 PF01202 C2_S175 - (65)11 - / 18 / 13 7
186Rv3274c34 91% 0.520 PF02771 C1_S146 - (42)7 6 / 9 / 7 3
187Rv135034 46% 0.572 PF00106 C1_S1105 - (69)15 10 / 2 / 3 3
188Rv3057c34 38% 0.553 PF00106 C1_S1111 - (73)9 13 / 5 / 1 4
189Rv141534 100% 0.624 PF00926 C6_S122 - (0)8 - / - / 15 3
190Rv108634 100% 0.662 PF01255 C6_S1111 - (32)14 - / 8 / 12 6
191Rv3423c34 100% 0.518 PF01168 C2_S141 - (30)9 - / 6 / 14 3
192Rv379034 100% 0.511 PF01565 C1_S1103 - (55)3 34 / - / 1 1
193Rv2500c34 45% 0.466 PF02771 C2_S156 - (47)10 3 / 16 / 4 4
194Rv0533c33 100% 0.696 PF08541 C1_S144 - (26)20 2 / 5 / 20 6
195Rv2214c33 38% 0.546 PF00106 C2_S172 - (58)8 10 / 12 / 2 3
196Rv3609c33 57% 0.477 PF01227 C11_S123 - (0)8 - / - / 21 3
197Rv3834c33 42% 0.540 PF00587 C3_S132 - (30)11 - / 20 / 7 6
198Rv094533 37% 0.719 PF00106 C1_S1114 - (68)11 4 / 3 / 8 2
199Rv2701c33 100% 0.565 PF00459 C3_S138 - (26)12 - / - / 10 3
200Rv0764c33 100% 0.800 PF00067 C5_S1140 - (3)13 16 / 3 / 11 2

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