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]
50bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
51bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
52bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
53bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
54bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
55bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
56bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
57bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
58bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9
59bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
60bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
61bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
62bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
63bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
64bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
65bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
66bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
67bsu2264085 61% 0.590 PF00291 C3_S184 - (75)19 7 / 13 / 44 10
68bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
69bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
70bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
71bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
72bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
73bsu2813038 51% 0.641 PF00490 C8_S139 - (22)18 - / 1 / 27 2
74bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
75bsu3637038 52% 0.593 PF07977 C2_S123 - (0)18 - / - / 13 0
76bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
77bsu1017040 45% 0.509 PF08541 C2_S152 - (31)18 - / 3 / 15 4
78bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
79bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
80bsu0662032 69% 0.522 PF03119 C6_S134 - (20)17 - / 11 / 12 0
81bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
82bsu1809039 73% 0.555 PF01751 C3_S136 - (0)17 4 / 13 / 11 13
83bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
84bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
85bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
86bsu1133037 58% 0.542 PF08541 C2_S151 - (31)17 - / 6 / 13 3
87bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
88bsu3213041 88% 0.640 PF00478 C2_S146 - (28)16 - / 3 / 17 3
89bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
90bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
91bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
92bsu0166025 100% 0.558 PF01915 C1_S134 - (15)16 - / - / 14 4
93bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
94bsu0050049 51% 0.534 PF12804 C1_S158 - (37)16 - / 22 / 18 9
95bsu2827051 77% 0.622 PF00180 C5_S155 - (46)15 - / 6 / 31 4
96bsu0269044 59% 0.593 PF00710 C8_S143 - (37)15 - / - / 19 4
97bsu0859020 44% 0.468 PF00561 C1_S158 - (7)15 - / 2 / 10 3
98bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
99bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
100bsu2831022 47% 0.594 PF02776 C5_S182 - (38)15 12 / 4 / 10 4

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