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]
150Rv014920 60% 0.534 PF00107 C1_S152 - (23)1 - / - / 1 0
151Rv0150c0 22% 0.295 PF00345 4 - (0)? - / - / - 0
152Rv0151c6 28% 0.383 PF03949 2 - (1)? - / - / - 0
153Rv0152c10 32% 0.279 PF00202 14 - (1)? - / - / - 0
154Rv0153c19 100% 0.654 PF00782 2 - (0)? - / - / - 0
155Rv0154c20 51% 0.496 PF02771 C1_S158 - (46)2 4 / - / - 1
156Rv015543 72% 0.598 PF05222 C3_S167 - (64)12 3 / 11 / 8 4
157Rv01561 55% 0.042 PF11511 0 - (0)? - / - / - 0
158Rv015737 62% 0.403 PF02776 C6_S145 - (37)10 30 / - / 2 4
159Rv015814 37% 0.582 PF00440 16 - (0)? - / - / - 0
160Rv0159c8 39% 0.203 PF00258 11 - (0)? - / - / - 0
161Rv0160c12 36% 0.322 PF01083 7 - (0)? - / - / - 0
162Rv016119 41% 0.524 PF01565 41 - (28)? - / - / - 0
163Rv0162c58 34% 0.540 PF00107 C1_S1158 - (115)20 1 / - / 35 5
164Rv016316 43% 0.493 PF03061 19 - (6)1 - / - / - 0
165Rv016420 16% 0.471 PF10604 10 - (0)? - / - / - 0
166Rv0165c13 41% 0.508 PF00392 0 - (0)? - / - / - 0
167Rv016621 36% 0.520 PF13193 C3_S160 - (21)3 - / - / 4 2
168Rv01670 58% -0.083 PF00398 7 - (0)? - / - / - 0
169Rv01680 50% 0.148 PF00403 0 - (0)? - / - / - 0
170Rv01690 30% 0.136 PF07654 0 - (0)? - / - / - 0
171Rv01700 33% 0.532 PF06160 2 - (0)? - / - / - 0
172Rv01715 23% 0.368 PF00015 1 - (0)? - / - / - 0
173Rv01720 34% 0.173 PF05394 3 - (0)? - / - / - 0
174Rv01730 38% 0.467 PF03465 0 - (0)? - / - / - 0
175Rv01741 33% 0.433 PF08336 0 - (0)? - / - / - 0
176Rv01753 38% 0.235 PF00857 2 - (0)? - / - / - 0
177Rv01764 27% 0.177 PF13577 13 - (0)? - / - / - 0
178Rv01775 35% 0.186 PF04335 8 - (0)? - / - / - 0
179Rv01783 24% 0.212 PF00069 11 - (0)? - / - / - 0
180Rv0179c1 34% 0.291 PF04378 7 - (0)? - / - / - 0
181Rv0180c2 45% 0.120 PF05552 3 - (0)? - / - / - 0
182Rv0181c12 41% 0.308 PF05726 8 - (1)? - / - / - 0
183Rv0182c13 43% 0.587 PF12680 0 - (0)? - / - / - 0
184Rv018319 36% 0.546 PF12146 C1_S128 - (0)3 - / - / 3 0
185Rv01840 37% 0.014 PF02540 12 - (0)? - / - / - 0
186Rv01853 44% 0.262 PF01471 C4_S110 - (0)1 - / - / 1 0
187Rv018620 38% 0.449 PF01915 C1_S122 - (1)3 - / - / 4 2
188Rv018726 50% 0.528 PF01596 C1_S1106 - (66)4 - / 7 / 3 0
189Rv01880 42% 0.167 PF01565 36 - (21)? - / - / - 0
190Rv0189c0 38% 0.427 PF03737 8 - (0)? - / - / - 0
191Rv019010 58% 0.565 PF02583 1 - (0)? - / - / - 0
192Rv019119 20% 0.256 PF07690 10 - (0)? - / - / - 0
193Rv019221 50% 0.459 PF03734 C4_S118 - (0)10 - / - / 4 3
194Rv0192A0 21% 0.225 PF10766 0 - (0)? - / - / - 0
195Rv0193c7 27% 0.264 PF05721 14 - (7)? - / - / - 0
196Rv019449 42% 0.375 PF00005 C1_S138 - (0)8 - / 23 / 5 6
197Rv019510 44% 0.576 PF00072 16 - (0)? - / - / - 0
198Rv019615 36% 0.530 PF00440 13 - (0)? - / - / - 0
199Rv019720 39% 0.430 PF01568 55 - (0)? - / - / - 0
200Rv0198c18 100% 0.490 PF05649 C4_S124 - (0)10 - / 5 / 8 6

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