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]
1bsu1603057 46% 0.554 PF01746 C9_S161 - (20)20 - / 29 / 24 29
2bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
3bsu1134045 100% 0.544 PF02801 C3_S153 - (5)20 - / 5 / 18 9
4bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
5bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
6bsu1486068 82% 0.531 PF02786 C2_S160 - (28)20 2 / 17 / 28 19
7bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
8bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
9bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
10bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
11bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
12bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
13bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
14bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16
15bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
16bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
17bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
18bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
19bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
20bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
21bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
22bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
23bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
24bsu1884061 100% 0.890 PF00722 C8_S173 - (0)20 1 / 2 / 36 9
25bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
26bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
27bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
28bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
29bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
30bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
31bsu2349075 57% 0.580 PF01048 C3_S182 - (43)20 - / 7 / 53 20
32bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
33bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
34bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
35bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
36bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
37bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
38bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
39bsu0077072 67% 0.658 PF00809 C3_S189 - (33)20 - / - / 61 26
40bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15
41bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
42bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
43bsu4032074 71% 0.595 PF00491 C7_S151 - (22)20 - / - / 32 12
44bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
45bsu2516063 39% 0.542 PF02401 C9_S1124 - (0)20 - / 3 / 76 14
46bsu3456070 100% 0.535 PF16657 C1_S1101 - (0)20 - / - / 46 10
47bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1
48bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
49bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
50bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9

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