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]
150Rv2832c43 47% 0.455 PF08402 C1_S133 - (0)10 - / 5 / 18 5
151Rv1133c20 50% 0.515 PF01717 C5_S120 - (11)9 1 / - / 8 4
152Rv1014c36 100% 0.557 PF01195 C6_S119 - (0)12 - / 1 / 8 4
153Rv0400c35 69% 0.535 PF02771 C2_S162 - (45)6 14 / 4 / 2 4
154Rv192520 48% 0.602 PF13193 C3_S159 - (31)5 3 / 3 / 2 4
155Rv1837c16 100% 0.516 PF01274 C4_S18 - (3)4 - / - / 4 4
156Rv3314c26 47% 0.530 PF07831 C10_S127 - (3)10 - / - / 14 4
157Rv124029 100% 0.542 PF00056 C4_S148 - (31)10 9 / 10 / 3 4
158Rv0248c49 39% 0.515 PF02910 C3_S149 - (44)7 27 / - / 3 4
159Rv0070c82 67% 0.590 PF00464 C1_S1106 - (54)16 - / 1 / 63 4
160Rv013427 42% 0.479 PF00561 C1_S141 - (6)11 - / 1 / 10 4
161Rv308548 38% 0.516 PF00106 C1_S1117 - (85)11 13 / 18 / 3 4
162Rv223426 100% 0.570 PF01451 C7_S118 - (2)10 - / - / 8 4
163Rv2921c47 48% 0.639 PF02978 C6_S161 - (0)15 4 / 13 / 12 4
164Rv161740 43% 0.583 PF02887 C8_S126 - (3)11 - / - / 10 4
165Rv023735 70% 0.497 PF00933 C2_S138 - (16)18 - / - / 18 4
166Rv2697c80 100% 0.640 PF00692 C4_S1179 - (144)16 - / - / 69 4
167Rv293020 57% 0.542 PF13193 C5_S164 - (36)6 - / 5 / 4 4
168Rv3598c31 42% 0.542 PF01336 C6_S144 - (28)10 - / 7 / 1 4
169Rv068424 68% 0.490 PF03143 C3_S136 - (0)7 - / 8 / 8 4
170Rv2580c26 44% 0.552 PF03129 C2_S129 - (7)6 - / - / 12 4
171Rv075825 38% 0.558 PF00512 C1_S136 - (34)8 - / 12 / 7 4
172Rv3001c23 100% 0.420 PF07991 C2_S142 - (0)11 6 / 7 / 4 4
173Rv308922 100% 0.574 PF13193 C1_S157 - (20)6 - / 2 / 4 4
174Rv3291c20 100% 0.668 PF01037 C4_S124 - (0)6 - / - / 4 4
175Rv073387 100% 0.697 PF05191 C1_S1157 - (144)13 40 / 39 / 3 4
176Rv3582c36 100% 0.522 PF01128 C2_S144 - (29)16 - / 22 / 9 4
177Rv2157c20 34% 0.506 PF08245 C2_S149 - (20)10 1 / 3 / 4 4
178Rv3309c44 100% 0.511 PF14681 C5_S155 - (42)13 - / 9 / 20 4
179Rv2857c35 85% 0.584 PF00106 C1_S1110 - (86)11 8 / 10 / 5 4
180Rv2868c20 50% 0.597 PF04551 C3_S119 - (5)5 - / - / 7 4
181Rv0644c22 100% 0.658 PF02353 C1_S148 - (24)10 3 / 17 / 4 4
182Rv349020 33% 0.532 PF00534 C1_S130 - (19)5 - / 4 / 2 4
183Rv2202c20 100% 0.555 PF00294 C2_S167 - (36)8 - / 5 / 4 4
184Rv0643c22 68% 0.609 PF02353 C1_S145 - (26)11 2 / 21 / 2 4
185Rv3003c22 44% 0.546 PF02776 C6_S183 - (45)15 10 / 4 / 10 4
186Rv3057c34 38% 0.553 PF00106 C1_S1111 - (73)9 13 / 5 / 1 4
187Rv152120 60% 0.607 PF13193 C5_S152 - (26)6 - / 3 / 6 4
188Rv2465c32 100% 0.624 PF02502 C8_S144 - (30)14 - / - / 13 4
189Rv256430 40% 0.533 PF00005 C1_S120 - (0)9 - / 1 / 7 4
190Rv049026 44% 0.558 PF00512 C2_S135 - (31)8 3 / 15 / 2 4
191Rv3764c21 37% 0.616 PF00512 C2_S139 - (30)6 1 / 9 / 2 4
192Rv3610c41 70% 0.634 PF09336 C1_S127 - (0)6 - / 18 / 6 4
193Rv006220 100% 0.629 PF01341 C4_S163 - (49)13 - / 1 / 10 4
194Rv340654 100% 0.558 PF02668 C4_S162 - (41)10 - / - / 20 4
195Rv3801c20 93% 0.515 PF13193 C4_S159 - (31)5 5 / 1 / 2 4
196Rv063519 99% 0.553 PF01575 C2_S111 - (0)4 - / - / 5 4
197Rv297184 99% 0.622 PF00248 C6_S1148 - (120)15 55 / 9 / 4 4
198Rv2152c19 38% 0.574 PF08245 C1_S152 - (26)9 3 / 4 / 3 4
199Rv3339c46 100% 0.451 PF00180 C8_S185 - (81)11 21 / 15 / 6 4
200Rv098221 38% 0.525 PF00512 C2_S137 - (27)7 1 / 7 / 1 4

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