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]
50Rv3248c35 100% 0.559 PF00670 C4_S142 - (28)10 13 / 6 / 2 3
51Rv3057c34 38% 0.553 PF00106 C1_S1111 - (73)9 13 / 5 / 1 4
52Rv1261c20 43% 0.691 PF04075 C7_S159 - (12)2 13 / 2 / - 1
53Rv3634c24 46% 0.535 PF01370 C1_S1125 - (108)4 13 / 1 / 2 1
54Rv270325 100% 0.617 PF04545 C6_S136 - (0)2 13 / - / 8 0
55Rv271025 52% 0.533 PF04545 C10_S136 - (0)2 13 / - / 4 0
56Rv0484c27 39% 0.530 PF00106 C1_S1100 - (69)7 13 / - / 2 2
57Rv068563 75% 0.588 PF03143 C1_S175 - (0)12 12 / 37 / 8 5
58Rv159546 39% 0.427 PF02910 C2_S138 - (36)5 12 / 16 / 2 2
59Rv143644 61% 0.564 PF00044 C2_S135 - (30)4 12 / 16 / - 2
60Rv2421c51 100% 0.514 PF01467 C2_S182 - (48)18 12 / 11 / 16 5
61Rv1865c41 37% 0.547 PF00106 C2_S1108 - (74)11 12 / 6 / 4 4
62Rv166326 56% 0.421 PF02036 C2_S168 - (39)3 12 / 5 / 2 1
63Rv278027 100% 0.568 PF05222 C5_S180 - (69)8 11 / 2 / 3 2
64Rv2214c33 38% 0.546 PF00106 C2_S172 - (58)8 10 / 12 / 2 3
65Rv3003c22 44% 0.546 PF02776 C6_S183 - (45)15 10 / 4 / 10 4
66Rv2793c30 100% 0.637 PF01509 C6_S137 - (0)4 10 / 3 / 7 0
67Rv200223 99% 0.678 PF00106 C1_S194 - (62)6 10 / 3 / 1 2
68Rv135034 46% 0.572 PF00106 C1_S1105 - (69)15 10 / 2 / 3 3
69Rv2752c20 56% 0.612 PF07521 C1_S132 - (0)5 10 / - / 4 3
70Rv3302c19 33% 0.476 PF16901 C1_S160 - (36)3 10 / - / 1 1
71Rv3708c36 100% 0.508 PF00044 C3_S177 - (45)20 9 / 13 / 18 9
72Rv124029 100% 0.542 PF00056 C4_S148 - (31)10 9 / 10 / 3 4
73Rv304523 52% 0.561 PF00107 C1_S137 - (25)7 9 / 5 / - 2
74Rv2781c19 41% 0.502 PF00478 C1_S147 - (25)2 9 / - / - 1
75Rv069420 38% 0.540 PF01070 C1_S147 - (29)3 9 / - / - 1
76Rv310620 100% 0.654 PF07992 C4_S146 - (35)2 9 / - / - 1
77Rv088620 44% 0.515 PF07992 C5_S139 - (30)2 9 / - / - 1
78Rv2773c19 100% 0.846 PF01113 C6_S140 - (26)5 9 / - / - 3
79Rv035089 66% 0.630 PF00012 C4_S1111 - (0)20 8 / 57 / 9 9
80Rv1703c50 38% 0.601 PF01596 C1_S182 - (35)20 8 / 30 / 13 18
81Rv155826 75% 0.553 PF04075 C4_S135 - (0)2 8 / 15 / - 1
82Rv2857c35 85% 0.584 PF00106 C1_S1110 - (86)11 8 / 10 / 5 4
83Rv089223 33% 0.477 PF07992 C2_S184 - (65)4 8 / 5 / 2 2
84Rv1393c30 36% 0.543 PF07992 C2_S195 - (73)5 7 / 14 / - 2
85Rv161282 100% 0.581 PF00291 C3_S196 - (88)18 7 / 13 / 39 10
86Rv148335 100% 0.595 PF00106 C1_S158 - (36)12 7 / 5 / 2 3
87Rv2268c28 35% 0.497 PF00067 C5_S1129 - (0)5 7 / 2 / 2 1
88Rv250916 37% 0.476 PF00106 C1_S1116 - (75)4 7 / 1 / 2 1
89Rv118815 39% 0.492 PF00221 C6_S129 - (0)5 7 / - / 1 2
90Rv105022 42% 0.611 PF00106 C1_S1127 - (79)4 7 / - / - 2
91Rv3052c18 65% 0.599 PF07972 C4_S135 - (33)2 7 / - / - 1
92Rv1092c45 100% 0.495 PF00485 C3_S1110 - (37)20 6 / 33 / 5 11
93Rv3274c34 91% 0.520 PF02771 C1_S146 - (42)7 6 / 9 / 7 3
94Rv3001c23 100% 0.420 PF07991 C2_S142 - (0)11 6 / 7 / 4 4
95Rv094925 57% 0.596 PF13361 C6_S139 - (0)2 6 / 6 / 8 2
96Rv0242c36 100% 0.626 PF00106 C2_S145 - (26)13 6 / 2 / 7 3
97Rv2364c17 40% 0.621 PF01926 C1_S161 - (0)4 6 / 2 / - 2
98Rv2678c24 45% 0.530 PF01208 C2_S120 - (12)6 6 / 2 / - 2
99Rv3336c29 52% 0.625 PF00579 C4_S138 - (29)11 6 / 1 / 8 3
100Rv239123 100% 0.524 PF03460 C2_S162 - (21)5 6 / - / 16 1

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