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]
150Rv2976c52 100% 0.615 PF03167 C9_S185 - (0)20 4 / 8 / 27 12
151Rv3339c46 100% 0.451 PF00180 C8_S185 - (81)11 21 / 15 / 6 4
152Rv2861c93 100% 0.650 PF00557 C2_S185 - (0)20 - / 11 / 58 28
153Rv217626 45% 0.602 PF00069 C1_S185 - (17)17 - / 3 / 19 7
154Rv233469 100% 0.520 PF00291 C3_S184 - (54)20 - / 9 / 58 9
155Rv322420 87% 0.646 PF00106 C1_S184 - (53)5 - / - / 3 1
156Rv32036 41% 0.521 PF12697 84 - (38)? - / - / - 0
157Rv120770 100% 0.584 PF00809 C6_S184 - (31)20 - / - / 55 25
158Rv089223 33% 0.477 PF07992 C2_S184 - (65)4 8 / 5 / 2 2
159Rv3394c12 29% 0.426 PF11799 83 - (77)? - / - / - 0
160Rv3003c22 44% 0.546 PF02776 C6_S183 - (45)15 10 / 4 / 10 4
161Rv2421c51 100% 0.514 PF01467 C2_S182 - (48)18 12 / 11 / 16 5
162Rv305920 34% 0.473 PF00067 82 - (3)? - / - / - 0
163Rv2406c17 44% 0.572 PF00571 C1_S182 - (80)6 - / 4 / 10 3
164Rv014838 52% 0.561 PF00106 C1_S182 - (57)9 4 / 4 / 7 1
165Rv066743 92% 0.429 PF04560 C6_S182 - (0)0 - / - / 1 0
166Rv1703c50 38% 0.601 PF01596 C1_S182 - (35)20 8 / 30 / 13 18
167Rv3742c3 53% 0.247 PF01266 C5_S182 - (75)1 - / - / 2 1
168Rv267113 100% 0.423 PF01872 C1_S181 - (25)5 3 / 2 / 2 2
169Rv346424 61% 0.521 PF16363 C1_S181 - (73)4 24 / - / - 2
170Rv3513c21 38% 0.552 PF13193 C6_S181 - (44)3 - / - / 2 1
171Rv3411c59 97% 0.484 PF00478 C2_S181 - (56)20 - / 22 / 30 6
172Rv3049c20 33% 0.487 PF07992 C2_S180 - (63)1 1 / - / - 1
173Rv073484 75% 0.599 PF00557 C2_S180 - (0)20 - / 1 / 57 26
174Rv0575c13 41% 0.419 PF01494 80 - (49)? - / - / - 0
175Rv050119 28% 0.399 PF16363 80 - (63)? - / - / - 0
176Rv278027 100% 0.568 PF05222 C5_S180 - (69)8 11 / 2 / 3 2
177Rv118762 99% 0.529 PF00171 C3_S179 - (0)20 2 / 21 / 16 6
178Rv137926 100% 0.659 PF00156 C3_S179 - (33)8 - / 3 / 14 3
179Rv294120 99% 0.617 PF13193 C5_S179 - (23)5 - / 5 / 3 3
180Rv0869c17 35% 0.487 PF04055 C4_S178 - (15)6 - / 2 / 12 2
181Rv172620 42% 0.595 PF01565 C1_S178 - (55)2 6 / - / - 1
182Rv29852 55% 0.449 PF00293 78 - (2)? - / - / - 0
183Rv3515c20 35% 0.478 PF13193 C5_S178 - (34)1 - / - / 1 0
184Rv2460c20 100% 0.514 PF00574 77 - (0)0 - / - / - 0
185Rv2461c20 100% 0.497 PF00574 77 - (0)0 - / - / - 0
186Rv2919c59 100% 0.628 PF00543 C6_S177 - (0)8 - / 27 / 25 3
187Rv260122 38% 0.448 PF05175 C1_S177 - (62)8 - / 1 / 7 1
188Rv3708c36 100% 0.508 PF00044 C3_S177 - (45)20 9 / 13 / 18 9
189Rv3608c61 100% 0.595 PF00809 C6_S176 - (30)20 - / 4 / 54 25
190Rv032140 100% 0.516 PF00692 C3_S176 - (50)6 - / - / 19 2
191Rv2539c34 100% 1.016 PF01202 C2_S175 - (65)11 - / 18 / 13 7
192Rv076935 81% 0.586 PF00106 C1_S175 - (54)4 14 / 3 / - 2
193Rv160524 70% 0.620 PF00977 C3_S175 - (40)7 - / - / 6 1
194Rv068563 75% 0.588 PF03143 C1_S175 - (0)12 12 / 37 / 8 5
195Rv119320 50% 0.493 PF13193 C4_S175 - (26)5 - / 1 / 3 3
196Rv0327c20 39% 0.471 PF00067 74 - (7)? - / - / - 0
197Rv3468c18 34% 0.416 PF16363 C1_S174 - (65)1 1 / - / - 1
198Rv296436 58% 0.570 PF00551 C4_S174 - (18)9 - / 10 / 3 6
199Rv339131 41% 0.454 PF00106 C1_S172 - (47)11 1 / 5 / 3 2
200Rv137315 26% 0.302 PF00685 72 - (50)? - / - / - 0

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