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]
50Rv009129 34% 0.539 PF01048 C1_S148 - (0)19 - / 10 / 15 9
51Rv3397c32 33% 0.568 PF00494 C4_S149 - (0)18 2 / 2 / 13 9
52Rv233469 100% 0.520 PF00291 C3_S184 - (54)20 - / 9 / 58 9
53Rv2763c31 100% 0.917 PF00186 C4_S1153 - (80)14 24 / 4 / 4 9
54Rv322731 100% 0.591 PF00275 C2_S160 - (31)16 2 / 3 / 25 8
55Rv133647 100% 0.561 PF00291 C4_S186 - (60)18 - / 1 / 31 8
56Rv164926 48% 0.378 PF01409 C3_S126 - (13)11 2 / 6 / 6 8
57Rv224541 100% 0.582 PF02801 C3_S167 - (5)20 14 / 7 / 9 8
58Rv021150 100% 0.651 PF00821 C11_S167 - (48)20 17 / 12 / 10 8
59Rv138063 37% 0.582 PF02729 C7_S169 - (46)20 - / 24 / 14 8
60Rv0357c49 51% 0.561 PF00709 C8_S188 - (66)20 - / 40 / 9 8
61Rv101123 100% 0.529 PF00288 C1_S147 - (37)12 - / 2 / 14 8
62Rv1273c64 40% 0.423 PF00005 C1_S164 - (64)13 - / 28 / 20 8
63Rv2210c86 100% 0.522 PF01063 C8_S1182 - (138)20 - / 13 / 77 8
64Rv305631 73% 0.601 PF11798 C5_S1328 - (301)18 - / - / 13 7
65Rv224639 100% 0.526 PF02801 C3_S169 - (6)20 - / 22 / 5 7
66Rv041820 48% 0.485 PF04151 C1_S151 - (0)7 - / 1 / 7 7
67Rv3568c24 100% 0.560 PF00903 C2_S132 - (22)11 - / - / 14 7
68Rv0118c19 59% 0.571 PF02776 C7_S153 - (33)15 2 / 16 / 1 7
69Rv217626 45% 0.602 PF00069 C1_S185 - (17)17 - / 3 / 19 7
70Rv2539c34 100% 1.016 PF01202 C2_S175 - (65)11 - / 18 / 13 7
71Rv3569c28 100% 0.601 PF12697 C1_S144 - (4)14 - / - / 15 7
72Rv1272c49 54% 0.478 PF00005 C1_S153 - (53)12 - / 28 / 3 7
73Rv3257c20 35% 0.521 PF00408 C1_S114 - (13)12 - / 2 / 11 7
74Rv220737 49% 0.532 PF02277 C10_S166 - (41)17 - / - / 21 7
75Rv238428 44% 0.523 PF13193 C4_S165 - (24)14 2 / 8 / 6 7
76Rv056238 51% 0.630 PF00348 C1_S147 - (29)15 - / - / 23 7
77Rv321160 46% 0.570 PF00271 C4_S169 - (0)12 3 / 11 / 31 7
78Rv125368 46% 0.606 PF00271 C3_S193 - (0)15 3 / 16 / 34 6
79Rv3834c33 42% 0.540 PF00587 C3_S132 - (30)11 - / 20 / 7 6
80Rv3411c59 97% 0.484 PF00478 C2_S181 - (56)20 - / 22 / 30 6
81Rv296436 58% 0.570 PF00551 C4_S174 - (18)9 - / 10 / 3 6
82Rv2614c33 43% 0.510 PF07973 C1_S136 - (13)15 2 / 11 / 8 6
83Rv053525 42% 0.530 PF01048 C2_S132 - (12)9 - / 1 / 12 6
84Rv134861 47% 0.382 PF00005 C3_S154 - (54)10 - / 34 / 12 6
85Rv2397c46 55% 0.504 PF08402 C1_S129 - (0)14 - / 13 / 11 6
86Rv0198c18 100% 0.490 PF05649 C4_S124 - (0)10 - / 5 / 8 6
87Rv2947c29 67% 0.531 PF02801 C3_S119 - (5)10 - / 3 / 8 6
88Rv3315c52 100% 0.583 PF00383 C4_S169 - (51)14 - / - / 33 6
89Rv2343c18 52% 0.585 PF01807 C5_S115 - (0)10 - / 4 / 6 6
90Rv093340 36% 0.524 PF00005 C1_S134 - (0)12 - / 14 / 15 6
91Rv2981c61 100% 0.652 PF01820 C1_S1103 - (75)14 - / 16 / 27 6
92Rv171230 73% 0.560 PF02224 C3_S132 - (29)14 1 / 13 / 11 6
93Rv2497c40 40% 0.458 PF00676 C5_S131 - (22)8 - / 14 / 8 6
94Rv0858c45 100% 0.666 PF00155 C1_S171 - (47)20 - / 4 / 31 6
95Rv082035 34% 0.562 PF00005 C1_S130 - (0)12 - / 13 / 14 6
96Rv0533c33 100% 0.696 PF08541 C1_S144 - (26)20 2 / 5 / 20 6
97Rv019449 42% 0.375 PF00005 C1_S138 - (0)8 - / 23 / 5 6
98Rv108634 100% 0.662 PF01255 C6_S1111 - (32)14 - / 8 / 12 6
99Rv048946 100% 0.524 PF00300 C2_S146 - (39)13 - / - / 23 6
100Rv118762 99% 0.529 PF00171 C3_S179 - (0)20 2 / 21 / 16 6

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