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]
200Rv165647 99% 0.645 PF02729 C9_S172 - (48)15 - / 8 / 24 6
201Rv2047c17 53% 0.482 PF01370 72 - (61)? - / - / - 0
202Rv3918c16 58% 0.561 PF01656 C1_S172 - (70)4 - / 4 / 2 1
203Rv137315 26% 0.302 PF00685 72 - (50)? - / - / - 0
204Rv372516 45% 0.467 PF13460 72 - (63)? - / - / - 0
205Rv2214c33 38% 0.546 PF00106 C2_S172 - (58)8 10 / 12 / 2 3
206Rv2754c19 100% 0.616 PF02511 C5_S171 - (55)3 - / 2 / 1 1
207Rv0561c11 23% 0.444 PF01494 71 - (35)? - / - / - 0
208Rv218721 40% 0.477 PF13193 C4_S171 - (29)4 - / 2 / 2 2
209Rv0858c45 100% 0.666 PF00155 C1_S171 - (47)20 - / 4 / 31 6
210Rv038518 33% 0.312 PF00175 71 - (41)1 - / - / - 0
211Rv1872c38 38% 0.598 PF01070 C5_S171 - (49)13 19 / 2 / 7 2
212Rv1399c39 46% 0.584 PF00135 C1_S170 - (0)11 - / - / 12 2
213Rv371918 30% 0.332 PF01565 70 - (48)? - / - / - 0
214Rv006320 38% 0.481 PF01565 70 - (47)? - / - / - 0
215Rv326215 100% 0.541 PF00881 C5_S170 - (39)5 - / 6 / 1 2
216Rv2378c13 56% 0.483 PF13434 69 - (46)? - / - / - 0
217Rv321160 46% 0.570 PF00271 C4_S169 - (0)12 3 / 11 / 31 7
218Rv3315c52 100% 0.583 PF00383 C4_S169 - (51)14 - / - / 33 6
219Rv226310 43% 0.617 PF00106 C1_S169 - (43)1 - / - / 1 0
220Rv138063 37% 0.582 PF02729 C7_S169 - (46)20 - / 24 / 14 8
221Rv066837 50% 0.437 PF04998 C9_S169 - (0)0 - / - / 5 0
222Rv366721 49% 0.552 PF13193 C3_S169 - (47)8 - / 6 / 7 3
223Rv335920 39% 0.560 PF00724 69 - (34)? - / - / - 0
224Rv219620 39% 0.268 PF13631 69 - (0)0 - / - / - 0
225Rv151223 54% 0.620 PF01370 C1_S169 - (58)6 4 / 4 / 4 4
226Rv224639 100% 0.526 PF02801 C3_S169 - (6)20 - / 22 / 5 7
227Rv3398c47 50% 0.563 PF00348 C1_S169 - (54)19 - / - / 33 9
228Rv177116 33% 0.427 PF01565 68 - (53)? - / - / - 0
229Rv310918 38% 0.475 PF04055 C2_S168 - (10)6 - / 6 / 6 2
230Rv229633 57% 0.521 PF00561 C1_S168 - (20)14 - / - / 12 0
231Rv166326 56% 0.421 PF02036 C2_S168 - (39)3 12 / 5 / 2 1
232Rv033484 62% 0.570 PF00483 C1_S168 - (31)20 - / - / 75 14
233Rv2614A2 60% 0.416 PF00121 68 - (52)? - / - / - 0
234Rv3368c11 43% 0.600 PF00881 67 - (0)0 - / - / - 0
235Rv224541 100% 0.582 PF02801 C3_S167 - (5)20 14 / 7 / 9 8
236Rv1854c20 30% 0.491 PF07992 67 - (43)? - / - / - 0
237Rv021150 100% 0.651 PF00821 C11_S167 - (48)20 17 / 12 / 10 8
238Rv015543 72% 0.598 PF05222 C3_S167 - (64)12 3 / 11 / 8 4
239Rv105821 42% 0.525 PF13193 C3_S167 - (21)3 - / 2 / 1 3
240Rv281217 27% 0.464 PF03539 67 - (0)? - / - / - 0
241Rv2202c20 100% 0.555 PF00294 C2_S167 - (36)8 - / 5 / 4 4
242Rv12606 36% 0.331 PF01494 67 - (40)? - / - / - 0
243Rv1400c45 44% 0.558 PF07859 C1_S167 - (0)13 - / - / 11 2
244Rv243632 100% 0.623 PF00294 C1_S167 - (53)8 - / - / 22 3
245Rv220737 49% 0.532 PF02277 C10_S166 - (41)17 - / - / 21 7
246Rv2776c15 35% 0.468 PF00175 66 - (42)1 - / - / - 0
247Rv165320 100% 0.635 PF01960 66 - (0)? - / - / - 0
248Rv2996c32 100% 0.664 PF02826 C1_S166 - (50)9 - / 18 / - 3
249Rv3230c15 31% 0.303 PF00175 66 - (45)2 - / - / - 0
250Rv225120 41% 0.471 PF01565 66 - (42)? - / - / - 0

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