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]
50Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 12
51Rv107759 47% 0.453 PF00291 C2_S185 - (57)14 - / 5 / 45 5
52Rv0162c58 34% 0.540 PF00107 C1_S1158 - (115)20 1 / - / 35 5
53Rv328557 48% 0.465 PF02786 C3_S164 - (31)20 1 / 20 / 27 18
54Rv2906c57 76% 0.457 PF01746 C9_S158 - (20)20 1 / 25 / 25 26
55Rv2501c56 54% 0.406 PF02786 C2_S163 - (31)20 2 / 15 / 30 13
56Rv095655 100% 0.693 PF00551 C3_S1147 - (19)20 - / 25 / 15 13
57Rv239455 42% 0.470 PF01019 C4_S145 - (28)8 - / - / 14 0
58Rv0946c55 99% 0.570 PF00342 C6_S140 - (39)20 - / - / 39 11
59Rv0761c55 38% 0.502 PF00107 C1_S1143 - (88)20 2 / 8 / 35 1
60Rv340654 100% 0.558 PF02668 C4_S162 - (41)10 - / - / 20 4
61Rv133853 42% 0.626 PF01177 C1_S157 - (39)8 - / 2 / 38 3
62Rv000653 100% 0.574 PF00521 C5_S191 - (0)7 - / 1 / 35 0
63Rv126353 41% 0.495 PF01425 C6_S153 - (0)20 - / - / 28 0
64Rv2976c52 100% 0.615 PF03167 C9_S185 - (0)20 4 / 8 / 27 12
65Rv3315c52 100% 0.583 PF00383 C4_S169 - (51)14 - / - / 33 6
66Rv2995c52 100% 0.571 PF00180 C5_S159 - (49)16 - / 8 / 32 5
67Rv154452 45% 0.557 PF00106 C1_S1135 - (86)13 13 / 12 / 7 3
68Rv102351 62% 0.540 PF03952 C1_S135 - (32)10 - / 3 / 26 6
69Rv2421c51 100% 0.514 PF01467 C2_S182 - (48)18 12 / 11 / 16 5
70Rv3545c51 100% 0.540 PF00067 C4_S1151 - (0)7 45 / - / 1 2
71Rv021150 100% 0.651 PF00821 C11_S167 - (48)20 17 / 12 / 10 8
72Rv1703c50 38% 0.601 PF01596 C1_S182 - (35)20 8 / 30 / 13 18
73Rv2753c50 99% 0.636 PF00701 C3_S161 - (50)13 - / - / 12 2
74Rv1625c50 100% 0.701 PF00211 C6_S192 - (38)18 - / 1 / 31 5
75Rv2192c50 100% 0.631 PF00591 C10_S187 - (1)10 - / 24 / 21 5
76Rv226649 100% 0.536 PF00067 C7_S1153 - (0)5 44 / - / 2 1
77Rv155249 55% 0.572 PF02910 C1_S151 - (45)5 28 / 1 / 1 2
78Rv1018c49 100% 0.604 PF12804 C2_S154 - (36)19 2 / 31 / 9 12
79Rv019449 42% 0.375 PF00005 C1_S138 - (0)8 - / 23 / 5 6
80Rv331849 49% 0.495 PF02910 C2_S149 - (44)6 29 / - / 3 3
81Rv1272c49 54% 0.478 PF00005 C1_S153 - (53)12 - / 28 / 3 7
82Rv391349 100% 0.537 PF07992 C1_S1130 - (112)11 36 / 5 / 6 5
83Rv0248c49 39% 0.515 PF02910 C3_S149 - (44)7 27 / - / 3 4
84Rv165549 45% 0.597 PF00202 C1_S158 - (34)10 - / 5 / 18 4
85Rv0357c49 51% 0.561 PF00709 C8_S188 - (66)20 - / 40 / 9 8
86Rv308548 38% 0.516 PF00106 C1_S1117 - (85)11 13 / 18 / 3 4
87Rv174748 34% 0.579 PF00005 C4_S143 - (42)13 - / 1 / 27 6
88Rv331948 43% 0.450 PF13085 C4_S157 - (0)12 - / - / 21 0
89Rv2150c48 100% 0.616 PF00091 C3_S157 - (0)10 1 / 29 / 13 5
90Rv3398c47 50% 0.563 PF00348 C1_S169 - (54)19 - / - / 33 9
91Rv185947 40% 0.470 PF08402 C1_S139 - (0)10 - / - / 27 5
92Rv2038c47 50% 0.499 PF08402 C1_S137 - (0)10 - / 4 / 23 5
93Rv165647 99% 0.645 PF02729 C9_S172 - (48)15 - / 8 / 24 6
94Rv2921c47 48% 0.639 PF02978 C6_S161 - (0)15 4 / 13 / 12 4
95Rv133647 100% 0.561 PF00291 C4_S186 - (60)18 - / 1 / 31 8
96Rv048946 100% 0.524 PF00300 C2_S146 - (39)13 - / - / 23 6
97Rv3339c46 100% 0.451 PF00180 C8_S185 - (81)11 21 / 15 / 6 4
98Rv159546 39% 0.427 PF02910 C2_S138 - (36)5 12 / 16 / 2 2
99Rv2397c46 55% 0.504 PF08402 C1_S129 - (0)14 - / 13 / 11 6
100Rv077846 38% 0.483 PF00067 C6_S1140 - (0)3 41 / - / 1 1

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