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]
50Rv0946c55 99% 0.570 PF00342 C6_S140 - (39)20 - / - / 39 11
51Rv156859 100% 0.631 PF00202 C2_S1148 - (80)20 - / 19 / 36 12
52Rv3608c61 100% 0.595 PF00809 C6_S176 - (30)20 - / 4 / 54 25
53Rv2068c89 100% 0.581 PF00905 C1_S1116 - (12)20 - / - / 57 25
54Rv0357c49 51% 0.561 PF00709 C8_S188 - (66)20 - / 40 / 9 8
55Rv3014c40 100% 0.419 PF03119 C4_S150 - (23)20 - / 9 / 30 20
56Rv051241 47% 0.544 PF00490 C8_S144 - (21)19 - / 1 / 23 2
57Rv009129 34% 0.539 PF01048 C1_S148 - (0)19 - / 10 / 15 9
58Rv3398c47 50% 0.563 PF00348 C1_S169 - (54)19 - / - / 33 9
59Rv346545 100% 0.917 PF00908 C3_S188 - (41)19 - / 1 / 31 9
60Rv143859 100% 0.618 PF00121 C7_S153 - (35)19 - / - / 32 12
61Rv1018c49 100% 0.604 PF12804 C2_S154 - (36)19 2 / 31 / 9 12
62Rv1625c50 100% 0.701 PF00211 C6_S192 - (38)18 - / 1 / 31 5
63Rv2421c51 100% 0.514 PF01467 C2_S182 - (48)18 12 / 11 / 16 5
64Rv161282 100% 0.581 PF00291 C3_S196 - (88)18 7 / 13 / 39 10
65Rv3433c31 36% 0.502 PF03853 C3_S157 - (48)18 - / 9 / 13 10
66Rv3397c32 33% 0.568 PF00494 C4_S149 - (0)18 2 / 2 / 13 9
67Rv3383c44 43% 0.597 PF00348 C1_S160 - (46)18 - / - / 25 4
68Rv023735 70% 0.497 PF00933 C2_S138 - (16)18 - / - / 18 4
69Rv133647 100% 0.561 PF00291 C4_S186 - (60)18 - / 1 / 31 8
70Rv305631 73% 0.601 PF11798 C5_S1328 - (301)18 - / - / 13 7
71Rv217626 45% 0.602 PF00069 C1_S185 - (17)17 - / 3 / 19 7
72Rv220737 49% 0.532 PF02277 C10_S166 - (41)17 - / - / 21 7
73Rv153732 36% 0.473 PF11798 C2_S1135 - (130)16 - / - / 24 9
74Rv2697c80 100% 0.640 PF00692 C4_S1179 - (144)16 - / - / 69 4
75Rv109370 100% 0.549 PF00464 C1_S1106 - (54)16 - / 1 / 64 4
76Rv2995c52 100% 0.571 PF00180 C5_S159 - (49)16 - / 8 / 32 5
77Rv322731 100% 0.591 PF00275 C2_S160 - (31)16 2 / 3 / 25 8
78Rv3582c36 100% 0.522 PF01128 C2_S144 - (29)16 - / 22 / 9 4
79Rv0070c82 67% 0.590 PF00464 C1_S1106 - (54)16 - / 1 / 63 4
80Rv257927 100% 0.539 PF00561 C1_S127 - (16)16 - / - / 6 1
81Rv165647 99% 0.645 PF02729 C9_S172 - (48)15 - / 8 / 24 6
82Rv1843c42 44% 0.495 PF00478 C1_S147 - (34)15 - / 2 / 28 2
83Rv135034 46% 0.572 PF00106 C1_S1105 - (69)15 10 / 2 / 3 3
84Rv2614c33 43% 0.510 PF07973 C1_S136 - (13)15 2 / 11 / 8 6
85Rv0118c19 59% 0.571 PF02776 C7_S153 - (33)15 2 / 16 / 1 7
86Rv297184 99% 0.622 PF00248 C6_S1148 - (120)15 55 / 9 / 4 4
87Rv2921c47 48% 0.639 PF02978 C6_S161 - (0)15 4 / 13 / 12 4
88Rv125368 46% 0.606 PF00271 C3_S193 - (0)15 3 / 16 / 34 6
89Rv3003c22 44% 0.546 PF02776 C6_S183 - (45)15 10 / 4 / 10 4
90Rv056238 51% 0.630 PF00348 C1_S147 - (29)15 - / - / 23 7
91Rv3356c35 100% 0.528 PF02882 C8_S147 - (34)14 3 / 15 / 7 4
92Rv2981c61 100% 0.652 PF01820 C1_S1103 - (75)14 - / 16 / 27 6
93Rv2763c31 100% 0.917 PF00186 C4_S1153 - (80)14 24 / 4 / 4 9
94Rv1928c41 82% 0.587 PF00106 C1_S1111 - (55)14 5 / - / 8 3
95Rv171230 73% 0.560 PF02224 C3_S132 - (29)14 1 / 13 / 11 6
96Rv107759 47% 0.453 PF00291 C2_S185 - (57)14 - / 5 / 45 5
97Rv2916c41 54% 0.606 PF02978 C4_S165 - (0)14 3 / 12 / 17 5
98Rv3696c37 63% 0.515 PF00370 C4_S156 - (56)14 - / 3 / 17 4
99Rv2397c46 55% 0.504 PF08402 C1_S129 - (0)14 - / 13 / 11 6
100Rv229633 57% 0.521 PF00561 C1_S168 - (20)14 - / - / 12 0

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