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]
50Rv105022 42% 0.611 PF00106 C1_S1127 - (79)4 7 / - / - 2
51Rv111063 52% 0.627 PF02401 C7_S1126 - (0)20 - / 3 / 76 12
52Rv225932 35% 0.616 PF00107 C1_S1126 - (88)9 2 / - / 7 0
53Rv0927c23 40% 0.579 PF00106 C1_S1126 - (76)8 - / 2 / 3 2
54Rv3634c24 46% 0.535 PF01370 C1_S1125 - (108)4 13 / 1 / 2 1
55Rv130513 92% 0.192 PF00137 125 - (0)? - / - / - 0
56Rv1882c28 36% 0.378 PF00106 C1_S1123 - (77)8 5 / - / 4 2
57Rv3485c30 84% 0.565 PF00106 C1_S1123 - (66)11 - / 4 / 6 3
58Rv056821 35% 0.432 PF00067 C3_S1123 - (7)2 1 / - / 1 1
59Rv3382c60 51% 0.609 PF02401 C8_S1122 - (0)20 - / 2 / 74 14
60Rv2870c83 100% 0.608 PF13288 C5_S1121 - (54)20 31 / 22 / 26 17
61Rv3549c24 39% 0.579 PF00106 C1_S1119 - (77)3 - / - / 1 0
62Rv068725 80% 0.565 PF00106 C1_S1118 - (87)2 24 / - / - 1
63Rv025225 33% 0.456 PF07992 C3_S1118 - (74)3 - / - / 7 0
64Rv0429c90 100% 0.587 PF01327 C5_S1118 - (29)20 - / 15 / 52 9
65Rv3624c71 100% 0.692 PF00156 C4_S1117 - (57)20 2 / 20 / 39 9
66Rv3686c0 41% 0.162 PF02038 117 - (0)? - / - / - 0
67Rv3333c1 25% 0.065 PF00134 117 - (0)? - / - / - 0
68Rv308548 38% 0.516 PF00106 C1_S1117 - (85)11 13 / 18 / 3 4
69Rv250916 37% 0.476 PF00106 C1_S1116 - (75)4 7 / 1 / 2 1
70Rv2068c89 100% 0.581 PF00905 C1_S1116 - (12)20 - / - / 57 25
71Rv3854c15 53% 0.404 PF04433 115 - (109)? - / - / - 0
72Rv32167 52% 0.338 PF00583 115 - (43)? - / - / - 0
73Rv227623 100% 0.789 PF00067 C5_S1114 - (0)2 17 / - / - 1
74Rv117720 62% 0.544 PF00037 114 - (0)? - / - / - 0
75Rv275037 76% 0.578 PF00106 C1_S1114 - (80)5 24 / - / 1 2
76Rv31534 50% 0.348 PF00037 114 - (0)? - / - / - 0
77Rv31503 52% 0.393 PF11973 114 - (0)? - / - / - 0
78Rv178611 36% 0.583 PF13237 114 - (0)? - / - / - 0
79Rv0763c6 35% 0.655 PF13237 114 - (0)? - / - / - 0
80Rv094533 37% 0.719 PF00106 C1_S1114 - (68)11 4 / 3 / 8 2
81Rv3503c6 41% 0.724 PF13237 114 - (0)? - / - / - 0
82Rv2007c11 56% 0.322 PF00037 114 - (0)? - / - / - 0
83Rv1928c41 82% 0.587 PF00106 C1_S1111 - (55)14 5 / - / 8 3
84Rv035089 66% 0.630 PF00012 C4_S1111 - (0)20 8 / 57 / 9 9
85Rv3057c34 38% 0.553 PF00106 C1_S1111 - (73)9 13 / 5 / 1 4
86Rv247164 47% 0.594 PF16657 C1_S1111 - (0)20 - / 1 / 43 9
87Rv108634 100% 0.662 PF01255 C6_S1111 - (32)14 - / 8 / 12 6
88Rv1092c45 100% 0.495 PF00485 C3_S1110 - (37)20 6 / 33 / 5 11
89Rv2857c35 85% 0.584 PF00106 C1_S1110 - (86)11 8 / 10 / 5 4
90Rv03164 37% 0.508 PF03795 109 - (0)? - / - / - 0
91Rv1865c41 37% 0.547 PF00106 C2_S1108 - (74)11 12 / 6 / 4 4
92Rv308315 45% 0.420 PF04433 108 - (103)? - / - / - 0
93Rv233527 49% 0.604 PF12464 C2_S1107 - (84)6 - / - / 16 1
94Rv2361c45 100% 0.584 PF01255 C7_S1107 - (30)20 3 / 23 / 17 14
95Rv0565c12 53% 0.425 PF04433 C2_S1107 - (102)1 - / 1 / - 1
96Rv0070c82 67% 0.590 PF00464 C1_S1106 - (54)16 - / 1 / 63 4
97Rv109370 100% 0.549 PF00464 C1_S1106 - (54)16 - / 1 / 64 4
98Rv1498A28 100% 0.591 PF07311 C11_S1106 - (0)7 - / - / 8 2
99Rv018726 50% 0.528 PF01596 C1_S1106 - (66)4 - / 7 / 3 0
100Rv3559c20 85% 0.586 PF00106 106 - (82)? - / - / - 0

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