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]
1bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
2bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
3bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
4bsu1572095 67% 0.552 PF01327 C5_S1109 - (15)20 - / 23 / 52 10
5bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
6bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
7bsu2905091 100% 0.634 PF00248 C5_S1151 - (87)15 31 / 6 / 25 4
8bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
9bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
10bsu2264085 61% 0.590 PF00291 C3_S184 - (75)19 7 / 13 / 44 10
11bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
12bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
13bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
14bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
15bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
16bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
17bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
18bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
19bsu2161077 55% 0.556 PF00565 C9_S177 - (0)6 - / 66 / 5 1
20bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
21bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
22bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
23bsu2349075 57% 0.580 PF01048 C3_S182 - (43)20 - / 7 / 53 20
24bsu2387075 37% 0.528 PF11798 C3_S1316 - (294)20 - / 3 / 51 12
25bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15
26bsu4032074 71% 0.595 PF00491 C7_S151 - (22)20 - / - / 32 12
27bsu1762074 56% 0.550 PF00565 C6_S175 - (0)6 - / 64 / 6 1
28bsu3344073 46% 0.544 PF00175 C2_S1106 - (90)8 37 / 15 / 1 4
29bsu0077072 67% 0.658 PF00809 C3_S189 - (33)20 - / - / 61 26
30bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
31bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
32bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
33bsu1488071 43% 0.531 PF00067 C5_S1120 - (0)7 59 / - / 4 1
34bsu2909071 69% 0.537 PF00476 C4_S1184 - (118)11 37 / 18 / 8 0
35bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
36bsu0456070 50% 0.572 PF01820 C1_S1109 - (82)15 2 / 35 / 21 4
37bsu3456070 100% 0.535 PF16657 C1_S1101 - (0)20 - / - / 46 10
38bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
39bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
40bsu2908068 56% 0.479 PF06827 C8_S1171 - (0)4 2 / 29 / 36 1
41bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
42bsu1486068 82% 0.531 PF02786 C2_S160 - (28)20 2 / 17 / 28 19
43bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
44bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
45bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
46bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
47bsu2277066 100% 0.809 PF02081 C16_S192 - (0)2 - / 3 / 47 1
48bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16
49bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
50bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8

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