Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001570 (Bacillus subtilis - May 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]
1bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
2bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
3bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
4bsu2516063 39% 0.542 PF02401 C9_S1124 - (0)20 - / 3 / 76 14
5bsu1134045 100% 0.544 PF02801 C3_S153 - (5)20 - / 5 / 18 9
6bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
7bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
8bsu1572095 67% 0.552 PF01327 C5_S1109 - (15)20 - / 23 / 52 10
9bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9
10bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
11bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
12bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
13bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
14bsu2349075 57% 0.580 PF01048 C3_S182 - (43)20 - / 7 / 53 20
15bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
16bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
17bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
18bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
19bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
20bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
21bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
22bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
23bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
24bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
25bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
26bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
27bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
28bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
29bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
30bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
31bsu2387075 37% 0.528 PF11798 C3_S1316 - (294)20 - / 3 / 51 12
32bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
33bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
34bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
35bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
36bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
37bsu2954021 37% 0.458 PF01513 C1_S133 - (28)20 - / 3 / 22 15
38bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
39bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
40bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
41bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
42bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
43bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
44bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
45bsu4032074 71% 0.595 PF00491 C7_S151 - (22)20 - / - / 32 12
46bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
47bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
48bsu1486068 82% 0.531 PF02786 C2_S160 - (28)20 2 / 17 / 28 19
49bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
50bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6

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