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]
1bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
2bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
3bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
4bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
5bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
6bsu3855063 50% 0.601 PF01063 C6_S1183 - (119)20 - / 12 / 62 0
7bsu2516063 39% 0.542 PF02401 C9_S1124 - (0)20 - / 3 / 76 14
8bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
9bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
10bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
11bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
12bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
13bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
14bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
15bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
16bsu2954021 37% 0.458 PF01513 C1_S133 - (28)20 - / 3 / 22 15
17bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
18bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
19bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
20bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
21bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15
22bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
23bsu0077072 67% 0.658 PF00809 C3_S189 - (33)20 - / - / 61 26
24bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
25bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
26bsu4032074 71% 0.595 PF00491 C7_S151 - (22)20 - / - / 32 12
27bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
28bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
29bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
30bsu2387075 37% 0.528 PF11798 C3_S1316 - (294)20 - / 3 / 51 12
31bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
32bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
33bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
34bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
35bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
36bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
37bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
38bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
39bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
40bsu2349075 57% 0.580 PF01048 C3_S182 - (43)20 - / 7 / 53 20
41bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
42bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
43bsu3872030 100% 0.655 PF03853 C2_S159 - (49)20 1 / 7 / 23 9
44bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
45bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
46bsu1134045 100% 0.544 PF02801 C3_S153 - (5)20 - / 5 / 18 9
47bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
48bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
49bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
50bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9

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