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]
50bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
51bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
52bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
53bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
54bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
55bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
56bsu1486068 82% 0.531 PF02786 C2_S160 - (28)20 2 / 17 / 28 19
57bsu3456070 100% 0.535 PF16657 C1_S1101 - (0)20 - / - / 46 10
58bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
59bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
60bsu3855063 50% 0.601 PF01063 C6_S1183 - (119)20 - / 12 / 62 0
61bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
62bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1
63bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
64bsu1572095 67% 0.552 PF01327 C5_S1109 - (15)20 - / 23 / 52 10
65bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
66bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
67bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
68bsu2264085 61% 0.590 PF00291 C3_S184 - (75)19 7 / 13 / 44 10
69bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
70bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
71bsu1017040 45% 0.509 PF08541 C2_S152 - (31)18 - / 3 / 15 4
72bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
73bsu3637038 52% 0.593 PF07977 C2_S123 - (0)18 - / - / 13 0
74bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
75bsu2813038 51% 0.641 PF00490 C8_S139 - (22)18 - / 1 / 27 2
76bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
77bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
78bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
79bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
80bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
81bsu1809039 73% 0.555 PF01751 C3_S136 - (0)17 4 / 13 / 11 13
82bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
83bsu1133037 58% 0.542 PF08541 C2_S151 - (31)17 - / 6 / 13 3
84bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
85bsu0662032 69% 0.522 PF03119 C6_S134 - (20)17 - / 11 / 12 0
86bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
87bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
88bsu0166025 100% 0.558 PF01915 C1_S134 - (15)16 - / - / 14 4
89bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
90bsu0050049 51% 0.534 PF12804 C1_S158 - (37)16 - / 22 / 18 9
91bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
92bsu3213041 88% 0.640 PF00478 C2_S146 - (28)16 - / 3 / 17 3
93bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
94bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
95bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
96bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
97bsu2827051 77% 0.622 PF00180 C5_S155 - (46)15 - / 6 / 31 4
98bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
99bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
100bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5

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