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]
1bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16
2bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
3bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
4bsu3872030 100% 0.655 PF03853 C2_S159 - (49)20 1 / 7 / 23 9
5bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
6bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
7bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
8bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
9bsu1603057 46% 0.554 PF01746 C9_S161 - (20)20 - / 29 / 24 29
10bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
11bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
12bsu0077072 67% 0.658 PF00809 C3_S189 - (33)20 - / - / 61 26
13bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1
14bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
15bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
16bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
17bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
18bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
19bsu1486068 82% 0.531 PF02786 C2_S160 - (28)20 2 / 17 / 28 19
20bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
21bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
22bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
23bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
24bsu3456070 100% 0.535 PF16657 C1_S1101 - (0)20 - / - / 46 10
25bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15
26bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
27bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
28bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
29bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
30bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
31bsu1884061 100% 0.890 PF00722 C8_S173 - (0)20 1 / 2 / 36 9
32bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
33bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
34bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
35bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
36bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
37bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
38bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
39bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
40bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
41bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
42bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
43bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
44bsu2349075 57% 0.580 PF01048 C3_S182 - (43)20 - / 7 / 53 20
45bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
46bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
47bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
48bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
49bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
50bsu3855063 50% 0.601 PF01063 C6_S1183 - (119)20 - / 12 / 62 0

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