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]
150Rv0445c17 100% 0.674 PF04545 0 - (0)? - / - / - 0
151Rv0241c17 100% 0.514 PF01575 C5_S122 - (0)2 - / - / 1 0
152Rv182122 100% 0.533 PF07516 C6_S112 - (0)2 - / 3 / 2 1
153Rv2122c16 100% 0.692 PF01503 1 - (0)1 - / - / - 0
154Rv1994c7 100% 0.511 PF01022 0 - (0)? - / - / - 0
155Rv030216 100% 0.611 PF00440 17 - (0)? - / - / - 0
156Rv2701c33 100% 0.565 PF00459 C3_S138 - (26)12 - / - / 10 3
157Rv073517 100% 0.753 PF08281 0 - (0)? - / - / - 0
158Rv354621 100% 0.484 PF00108 C7_S115 - (6)4 - / - / 3 2
159Rv1314c23 100% 0.531 PF01923 C10_S137 - (19)5 - / - / 8 2
160Rv2763c31 100% 0.917 PF00186 C4_S1153 - (80)14 24 / 4 / 4 9
161Rv346545 100% 0.917 PF00908 C3_S188 - (41)19 - / 1 / 31 9
162Rv2794c19 100% 0.505 PF01648 C4_S115 - (13)4 4 / - / 1 1
163Rv2043c20 100% 0.501 PF00857 C4_S132 - (0)3 - / - / 6 1
164Rv0813c5 100% 0.371 PF08768 6 - (0)1 - / - / - 0
165Rv1327c20 100% 0.528 PF11896 9 - (0)? - / - / - 0
166Rv1985c16 100% 0.581 PF03466 C3_S110 - (0)1 - / - / 1 0
167Rv3568c24 100% 0.560 PF00903 C2_S132 - (22)11 - / - / 14 7
168Rv006220 100% 0.629 PF01341 C4_S163 - (49)13 - / 1 / 10 4
169Rv328319 100% 0.516 PF00581 6 - (0)? - / - / - 0
170Rv310620 100% 0.654 PF07992 C4_S146 - (35)2 9 / - / - 1
171Rv169921 100% 0.557 PF00117 C6_S19 - (7)6 - / 1 / 5 3
172Rv086524 100% 0.617 PF00994 C4_S117 - (0)4 - / - / 3 2
173Rv3583c14 100% 0.661 PF00166 3 - (0)? - / - / - 0
174Rv0014c23 100% 0.510 PF00069 C2_S130 - (2)3 - / - / 3 1
175Rv3019c11 100% 0.164 PF06013 3 - (0)1 - / - / - 0
176Rv160120 100% 0.493 PF00475 0 - (0)? - / - / - 0
177Rv2027c20 100% 0.570 PF07730 C1_S129 - (0)4 20 / - / 1 2
178Rv201814 100% 0.606 PF13411 C8_S18 - (0)? - / - / 1 0
179Rv3566c20 100% 0.476 PF00797 C5_S117 - (13)8 - / 3 / 5 3
180Rv0223c21 100% 0.577 PF00171 30 - (30)1 - / - / - 0
181Rv1092c45 100% 0.495 PF00485 C3_S1110 - (37)20 6 / 33 / 5 11
182Rv293919 100% 0.548 PF16911 9 - (0)? - / - / - 0
183Rv117015 100% 0.559 PF02585 C2_S111 - (0)4 - / - / 4 1
184Rv3246c15 100% 0.672 PF00486 C4_S116 - (0)1 - / - / 1 0
185Rv227623 100% 0.789 PF00067 C5_S1114 - (0)2 17 / - / - 1
186Rv3646c20 100% 0.518 PF01396 C1_S112 - (0)6 2 / - / 5 2
187Rv046721 100% 0.688 PF00463 C5_S116 - (8)5 - / - / 2 1
188Rv2540c20 100% 0.546 PF01264 C5_S12 - (0)2 - / 1 / 1 2
189Rv1326c20 100% 0.559 PF02922 10 - (0)? - / - / - 0
190Rv0129c20 100% 0.852 PF00756 C2_S127 - (0)8 - / - / 5 3
191Rv2121c20 100% 0.570 PF08029 C5_S121 - (6)1 - / - / 3 1
192Rv278027 100% 0.568 PF05222 C5_S180 - (69)8 11 / 2 / 3 2
193Rv2697c80 100% 0.640 PF00692 C4_S1179 - (144)16 - / - / 69 4
194Rv02899 100% 0.595 PF14011 C6_S15 - (0)? - / - / 1 0
195Rv200918 100% 0.583 PF09957 0 - (0)? - / - / - 0
196Rv3020c16 100% 0.297 PF06013 4 - (0)? - / - / - 0
197Rv113125 100% 0.564 PF00285 C7_S115 - (11)6 - / 5 / 6 2
198Rv3423c34 100% 0.518 PF01168 C2_S141 - (30)9 - / 6 / 14 3
199Rv138932 100% 0.648 PF00625 C1_S158 - (45)12 4 / 7 / 10 5
200Rv3800c20 100% 0.490 PF00975 C2_S18 - (0)1 - / - / 7 0

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