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
2bsu2387075 37% 0.528 PF11798 C3_S1316 - (294)20 - / 3 / 51 12
3bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
4bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
5bsu2909071 69% 0.537 PF00476 C4_S1184 - (118)11 37 / 18 / 8 0
6bsu3855063 50% 0.601 PF01063 C6_S1183 - (119)20 - / 12 / 62 0
7bsu2382032 100% 0.686 PF00724 C2_S1178 - (105)10 2 / 8 / 10 3
8bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
9bsu2908068 56% 0.479 PF06827 C8_S1171 - (0)4 2 / 29 / 36 1
10bsu3354023 56% 0.578 PF02525 C1_S1168 - (89)7 - / 10 / 2 2
11bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
12bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
13bsu0865021 100% 0.616 PF00106 C1_S1154 - (79)3 4 / - / - 1
14bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
15bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1
16bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
17bsu2905091 100% 0.634 PF00248 C5_S1151 - (87)15 31 / 6 / 25 4
18bsu3019055 100% 0.559 PF00067 C5_S1150 - (0)5 33 / - / 2 1
19bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
20bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
21bsu4088062 54% 0.580 PF03372 C1_S1139 - (0)9 - / 9 / 23 1
22bsu3886049 65% 0.611 PF16363 C1_S1139 - (120)10 43 / 10 / - 4
23bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
24bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
25bsu1766040 100% 0.502 PF00692 C7_S1135 - (89)7 - / - / 24 3
26bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
27bsu0093030 50% 0.650 PF12464 C2_S1130 - (86)6 - / - / 16 1
28bsu1723062 40% 0.520 PF00067 C6_S1127 - (0)4 59 / - / - 1
29bsu0346038 44% 0.639 PF00215 126 - (118)3 - / - / - 0
30bsu2516063 39% 0.542 PF02401 C9_S1124 - (0)20 - / 3 / 76 14
31bsu1923020 67% 0.647 PF02525 123 - (56)? - / - / - 0
32bsu2421029 47% 0.595 PF00724 C1_S1123 - (61)7 - / - / 10 2
33bsu3298028 35% 0.494 PF00106 C1_S1123 - (96)4 7 / - / 2 1
34bsu1406026 66% 0.572 PF00106 C1_S1123 - (81)7 2 / 6 / 6 2
35bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
36bsu3200024 36% 0.504 PF00106 C1_S1121 - (76)4 1 / 1 / 2 1
37bsu3081015 31% 0.484 PF13419 C1_S1121 - (17)2 - / - / 1 0
38bsu2214025 55% 0.605 PF00106 C1_S1120 - (69)9 3 / 5 / 1 3
39bsu1488071 43% 0.531 PF00067 C5_S1120 - (0)7 59 / - / 4 1
40bsu2674064 41% 0.528 PF00067 C4_S1118 - (0)7 56 / 1 / 3 1
41bsu3773047 43% 0.501 PF00106 C1_S1118 - (92)7 7 / 23 / 1 3
42bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
43bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
44bsu1221056 100% 0.569 PF00067 C6_S1117 - (0)8 41 / - / 5 1
45bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
46bsu2378031 36% 0.555 PF00106 C1_S1113 - (74)7 3 / 2 / 10 2
47bsu3479043 71% 0.511 PF07992 C3_S1113 - (96)12 6 / 19 / 7 3
48bsu1810055 70% 0.552 PF00521 C5_S1113 - (0)7 - / 2 / 40 0
49bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
50bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15

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