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]
1bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
2bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
3bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
4bsu1134045 100% 0.544 PF02801 C3_S153 - (5)20 - / 5 / 18 9
5bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
6bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
7bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
8bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
9bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
10bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
11bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
12bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
13bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
14bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
15bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
16bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
17bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
18bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
19bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
20bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
21bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
22bsu3872030 100% 0.655 PF03853 C2_S159 - (49)20 1 / 7 / 23 9
23bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
24bsu2516063 39% 0.542 PF02401 C9_S1124 - (0)20 - / 3 / 76 14
25bsu2954021 37% 0.458 PF01513 C1_S133 - (28)20 - / 3 / 22 15
26bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
27bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
28bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16
29bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
30bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
31bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
32bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
33bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
34bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
35bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
36bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15
37bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1
38bsu1884061 100% 0.890 PF00722 C8_S173 - (0)20 1 / 2 / 36 9
39bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
40bsu2387075 37% 0.528 PF11798 C3_S1316 - (294)20 - / 3 / 51 12
41bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
42bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
43bsu3855063 50% 0.601 PF01063 C6_S1183 - (119)20 - / 12 / 62 0
44bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
45bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
46bsu1603057 46% 0.554 PF01746 C9_S161 - (20)20 - / 29 / 24 29
47bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
48bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
49bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
50bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11

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