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]
50Rv2150c48 100% 0.616 PF00091 C3_S157 - (0)10 1 / 29 / 13 5
51Rv148335 100% 0.595 PF00106 C1_S158 - (36)12 7 / 5 / 2 3
52Rv1014c36 100% 0.557 PF01195 C6_S119 - (0)12 - / 1 / 8 4
53Rv088011 100% 0.601 PF01047 15 - (0)? - / - / - 0
54Rv27048 100% 0.594 PF01042 5 - (0)? - / - / - 0
55Rv371715 100% 0.596 PF01520 C4_S111 - (0)? - / - / 2 0
56Rv391349 100% 0.537 PF07992 C1_S1130 - (112)11 36 / 5 / 6 5
57Rv2841c17 100% 0.621 PF00575 C7_S14 - (0)2 4 / - / - 0
58Rv0802c17 100% 0.486 PF13302 C1_S123 - (0)1 - / 1 / - 1
59Rv169522 100% 0.542 PF01513 C6_S130 - (23)13 - / 8 / 5 5
60Rv2996c32 100% 0.664 PF02826 C1_S166 - (50)9 - / 18 / - 3
61Rv000653 100% 0.574 PF00521 C5_S191 - (0)7 - / 1 / 35 0
62Rv0642c22 100% ? PF02353 C1_S147 - (25)11 3 / 20 / 2 1
63Rv166520 100% 0.657 PF00195 23 - (8)? - / - / - 0
64Rv2178c22 100% 0.630 PF01474 C6_S112 - (8)7 - / 2 / 3 3
65Rv012718 100% 0.477 PF01636 C4_S123 - (5)3 - / - / 4 2
66Rv340654 100% 0.558 PF02668 C4_S162 - (41)10 - / - / 20 4
67Rv346545 100% 0.917 PF00908 C3_S188 - (41)19 - / 1 / 31 9
68Rv2606c23 100% 0.638 PF01680 C5_S122 - (0)6 - / - / 2 1
69Rv0429c90 100% 0.587 PF01327 C5_S1118 - (29)20 - / 15 / 52 9
70Rv3671c17 100% 0.620 PF13180 13 - (0)? - / - / - 0
71Rv17386 100% 0.400 PF08962 C2_S12 - (0)1 - / - / 2 0
72Rv267113 100% 0.423 PF01872 C1_S181 - (25)5 3 / 2 / 2 2
73Rv387410 100% 0.554 PF06013 8 - (0)? - / - / - 0
74Rv1327c20 100% 0.528 PF11896 9 - (0)? - / - / - 0
75Rv2386c25 100% 0.605 PF00425 C1_S117 - (0)9 - / 1 / 7 5
76Rv2460c20 100% 0.514 PF00574 77 - (0)0 - / - / - 0
77Rv000537 100% 0.477 PF01751 C3_S129 - (0)14 2 / 15 / 4 10
78Rv335716 100% 0.555 PF02604 0 - (0)? - / - / - 0
79Rv222018 100% 0.716 PF03951 0 - (0)? - / - / - 0
80Rv3462c15 100% 0.683 PF01176 0 - (0)? - / - / - 0
81Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
82Rv0503c21 100% 0.579 PF02353 C2_S151 - (26)11 3 / 20 / 2 2
83Rv3418c20 100% 0.680 PF00166 0 - (0)? - / - / - 0
84Rv0116c20 100% 0.565 PF03734 C5_S111 - (0)5 - / - / 2 2
85Rv089911 100% 0.625 PF00691 57 - (0)1 - / - / - 0
86Rv063620 100% 0.514 PF01575 C4_S123 - (0)6 - / - / 3 0
87Rv227623 100% 0.789 PF00067 C5_S1114 - (0)2 17 / - / - 1
88Rv2837c15 100% 0.483 PF02833 C4_S17 - (0)2 - / 2 / - 0
89Rv377224 100% 0.718 PF00155 C1_S144 - (35)9 - / - / 7 2
90Rv2461c20 100% 0.497 PF00574 77 - (0)0 - / - / - 0
91Rv147818 100% ? PF00877 C3_S114 - (0)4 - / - / 3 1
92Rv2632c6 100% 0.421 PF08962 C2_S12 - (0)1 - / - / 2 0
93Rv0844c12 100% 0.746 PF00072 25 - (0)0 - / - / - 0
94Rv1018c49 100% 0.604 PF12804 C2_S154 - (36)19 2 / 31 / 9 12
95Rv165320 100% 0.635 PF01960 66 - (0)? - / - / - 0
96Rv109370 100% 0.549 PF00464 C1_S1106 - (54)16 - / 1 / 64 4
97Rv137220 100% 0.547 PF00195 C3_S17 - (0)2 - / 2 / - 0
98Rv2466c18 100% 0.625 PF01323 5 - (0)1 - / - / - 0
99Rv030216 100% 0.611 PF00440 17 - (0)? - / - / - 0
100Rv00338 100% 0.630 PF00550 12 - (0)? - / - / - 0

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