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]
1bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
2bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
3bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
4bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
5bsu1488071 43% 0.531 PF00067 C5_S1120 - (0)7 59 / - / 4 1
6bsu1723062 40% 0.520 PF00067 C6_S1127 - (0)4 59 / - / - 1
7bsu2674064 41% 0.528 PF00067 C4_S1118 - (0)7 56 / 1 / 3 1
8bsu1461054 78% 0.581 PF02852 C2_S173 - (68)2 44 / 4 / - 1
9bsu3886049 65% 0.611 PF16363 C1_S1139 - (120)10 43 / 10 / - 4
10bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
11bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
12bsu1221056 100% 0.569 PF00067 C6_S1117 - (0)8 41 / - / 5 1
13bsu2909071 69% 0.537 PF00476 C4_S1184 - (118)11 37 / 18 / 8 0
14bsu3344073 46% 0.544 PF00175 C2_S1106 - (90)8 37 / 15 / 1 4
15bsu3019055 100% 0.559 PF00067 C5_S1150 - (0)5 33 / - / 2 1
16bsu2905091 100% 0.634 PF00248 C5_S1151 - (87)15 31 / 6 / 25 4
17bsu2406045 44% 0.565 PF02852 C3_S151 - (47)4 31 / - / 1 2
18bsu0809038 40% 0.542 PF02852 C2_S191 - (71)5 26 / - / 1 1
19bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
20bsu0393027 83% 0.582 PF00106 C1_S1101 - (67)7 22 / - / 4 2
21bsu3783025 51% 0.488 PF16363 C1_S178 - (69)4 21 / 3 / - 2
22bsu3034059 100% 0.669 PF13426 C2_S177 - (0)3 20 / 18 / 7 2
23bsu0283036 55% 0.557 PF00106 C1_S1110 - (73)12 19 / 11 / 3 4
24bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
25bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
26bsu1172032 100% 0.614 PF00106 C5_S168 - (36)8 17 / 8 / 1 3
27bsu2520044 75% 0.697 PF04545 C1_S142 - (0)1 17 / - / 4 0
28bsu1304030 56% 0.582 PF00175 C1_S173 - (29)10 16 / 3 / 4 2
29bsu0113053 77% 0.566 PF03143 C1_S165 - (0)6 14 / 30 / 7 3
30bsu0305051 100% 0.625 PF00056 C5_S161 - (53)6 14 / 16 / 2 2
31bsu1591044 73% 0.563 PF00106 C1_S164 - (36)13 14 / 3 / 10 2
32bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
33bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
34bsu3706044 70% 0.467 PF00265 C10_S142 - (41)11 13 / 16 / 3 5
35bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
36bsu2831022 47% 0.594 PF02776 C5_S182 - (38)15 12 / 4 / 10 4
37bsu1415029 38% 0.550 PF00258 C1_S188 - (2)3 12 / 4 / 1 2
38bsu3435017 36% 0.501 PF02719 C1_S157 - (55)8 12 / 2 / 2 4
39bsu1050020 43% 0.540 PF01494 C1_S156 - (35)4 12 / 2 / 1 0
40bsu0863026 57% 0.502 PF14815 C3_S153 - (0)9 12 / 1 / 6 2
41bsu0930015 59% 0.480 PF01266 C1_S158 - (37)3 12 / - / 1 1
42bsu1666026 41% 0.499 PF01509 C6_S137 - (0)4 11 / 1 / 7 0
43bsu0882027 67% 0.439 PF06628 C5_S119 - (4)4 11 / - / 2 1
44bsu0210022 100% 0.807 PF00067 C4_S196 - (1)2 11 / - / - 1
45bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
46bsu1417034 40% 0.548 PF00258 C1_S1109 - (107)4 10 / 9 / - 2
47bsu2852020 44% 0.570 PF00766 C4_S119 - (0)3 10 / 4 / - 1
48bsu1737020 100% 0.677 PF07972 C4_S125 - (24)2 10 / - / - 1
49bsu3282036 75% 0.460 PF02771 C2_S145 - (38)5 9 / 9 / 8 2
50bsu1523019 79% 0.621 PF02873 C3_S156 - (39)3 9 / - / 1 1

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