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]
50Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
51Rv2501c56 54% 0.406 PF02786 C2_S163 - (31)20 2 / 15 / 30 13
52Rv1151c74 46% 0.517 PF02146 C5_S1179 - (0)20 21 / 42 / 19 11
53Rv073484 75% 0.599 PF00557 C2_S180 - (0)20 - / 1 / 57 26
54Rv2906c57 76% 0.457 PF01746 C9_S158 - (20)20 1 / 25 / 25 26
55Rv193845 100% 0.522 PF13419 C1_S1141 - (1)20 - / 2 / 26 10
56Rv009129 34% 0.539 PF01048 C1_S148 - (0)19 - / 10 / 15 9
57Rv051241 47% 0.544 PF00490 C8_S144 - (21)19 - / 1 / 23 2
58Rv3398c47 50% 0.563 PF00348 C1_S169 - (54)19 - / - / 33 9
59Rv346545 100% 0.917 PF00908 C3_S188 - (41)19 - / 1 / 31 9
60Rv1018c49 100% 0.604 PF12804 C2_S154 - (36)19 2 / 31 / 9 12
61Rv143859 100% 0.618 PF00121 C7_S153 - (35)19 - / - / 32 12
62Rv3383c44 43% 0.597 PF00348 C1_S160 - (46)18 - / - / 25 4
63Rv161282 100% 0.581 PF00291 C3_S196 - (88)18 7 / 13 / 39 10
64Rv305631 73% 0.601 PF11798 C5_S1328 - (301)18 - / - / 13 7
65Rv2421c51 100% 0.514 PF01467 C2_S182 - (48)18 12 / 11 / 16 5
66Rv133647 100% 0.561 PF00291 C4_S186 - (60)18 - / 1 / 31 8
67Rv023735 70% 0.497 PF00933 C2_S138 - (16)18 - / - / 18 4
68Rv3433c31 36% 0.502 PF03853 C3_S157 - (48)18 - / 9 / 13 10
69Rv1625c50 100% 0.701 PF00211 C6_S192 - (38)18 - / 1 / 31 5
70Rv3397c32 33% 0.568 PF00494 C4_S149 - (0)18 2 / 2 / 13 9
71Rv217626 45% 0.602 PF00069 C1_S185 - (17)17 - / 3 / 19 7
72Rv220737 49% 0.532 PF02277 C10_S166 - (41)17 - / - / 21 7
73Rv322731 100% 0.591 PF00275 C2_S160 - (31)16 2 / 3 / 25 8
74Rv109370 100% 0.549 PF00464 C1_S1106 - (54)16 - / 1 / 64 4
75Rv257927 100% 0.539 PF00561 C1_S127 - (16)16 - / - / 6 1
76Rv0070c82 67% 0.590 PF00464 C1_S1106 - (54)16 - / 1 / 63 4
77Rv153732 36% 0.473 PF11798 C2_S1135 - (130)16 - / - / 24 9
78Rv2995c52 100% 0.571 PF00180 C5_S159 - (49)16 - / 8 / 32 5
79Rv3582c36 100% 0.522 PF01128 C2_S144 - (29)16 - / 22 / 9 4
80Rv2697c80 100% 0.640 PF00692 C4_S1179 - (144)16 - / - / 69 4
81Rv1843c42 44% 0.495 PF00478 C1_S147 - (34)15 - / 2 / 28 2
82Rv297184 99% 0.622 PF00248 C6_S1148 - (120)15 55 / 9 / 4 4
83Rv0118c19 59% 0.571 PF02776 C7_S153 - (33)15 2 / 16 / 1 7
84Rv125368 46% 0.606 PF00271 C3_S193 - (0)15 3 / 16 / 34 6
85Rv165647 99% 0.645 PF02729 C9_S172 - (48)15 - / 8 / 24 6
86Rv3003c22 44% 0.546 PF02776 C6_S183 - (45)15 10 / 4 / 10 4
87Rv135034 46% 0.572 PF00106 C1_S1105 - (69)15 10 / 2 / 3 3
88Rv2614c33 43% 0.510 PF07973 C1_S136 - (13)15 2 / 11 / 8 6
89Rv2921c47 48% 0.639 PF02978 C6_S161 - (0)15 4 / 13 / 12 4
90Rv056238 51% 0.630 PF00348 C1_S147 - (29)15 - / - / 23 7
91Rv3696c37 63% 0.515 PF00370 C4_S156 - (56)14 - / 3 / 17 4
92Rv2916c41 54% 0.606 PF02978 C4_S165 - (0)14 3 / 12 / 17 5
93Rv2763c31 100% 0.917 PF00186 C4_S1153 - (80)14 24 / 4 / 4 9
94Rv1504c41 67% 0.431 PF01041 C1_S187 - (50)14 - / 3 / 17 6
95Rv052436 51% 0.520 PF00202 C2_S157 - (27)14 - / - / 36 5
96Rv3356c35 100% 0.528 PF02882 C8_S147 - (34)14 3 / 15 / 7 4
97Rv3315c52 100% 0.583 PF00383 C4_S169 - (51)14 - / - / 33 6
98Rv2397c46 55% 0.504 PF08402 C1_S129 - (0)14 - / 13 / 11 6
99Rv238428 44% 0.523 PF13193 C4_S165 - (24)14 2 / 8 / 6 7
100Rv2981c61 100% 0.652 PF01820 C1_S1103 - (75)14 - / 16 / 27 6

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