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]
50bsu1311037 58% 0.546 PF02844 C7_S159 - (7)12 - / 23 / - 8
51bsu1577029 50% 0.489 PF00069 C1_S156 - (15)12 1 / 4 / 10 8
52bsu1091051 54% 0.633 PF14306 C2_S183 - (76)13 2 / 36 / 5 8
53bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
54bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
55bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
56bsu3455027 100% 0.673 PF13419 C1_S122 - (11)13 - / 5 / 12 8
57bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
58bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
59bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
60bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
61bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
62bsu0006036 73% 0.601 PF01751 C3_S131 - (0)12 2 / 16 / 5 8
63bsu2864032 79% 0.477 PF01409 C1_S126 - (13)11 - / 8 / 6 8
64bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
65bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
66bsu2733025 54% 0.532 PF00485 C1_S148 - (35)14 4 / 9 / 8 7
67bsu3390049 100% 0.592 PF03952 C1_S130 - (26)10 - / 1 / 24 7
68bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
69bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
70bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
71bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
72bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
73bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
74bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
75bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
76bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
77bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
78bsu0145061 53% 0.529 PF08402 C1_S146 - (0)13 - / 16 / 26 7
79bsu3502031 100% 0.656 PF01182 C4_S121 - (16)13 - / - / 18 7
80bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
81bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
82bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
83bsu1147045 37% 0.545 PF08402 C1_S140 - (0)12 - / 7 / 21 7
84bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
85bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
86bsu0743051 34% 0.613 PF00271 C4_S140 - (0)14 2 / 15 / 14 7
87bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
88bsu4008027 58% 0.576 PF03446 C3_S127 - (14)10 - / 1 / 11 6
89bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
90bsu2405034 44% 0.544 PF00676 C4_S131 - (20)8 - / 11 / 9 6
91bsu0013032 59% 0.413 PF00587 C3_S142 - (36)10 - / 16 / 9 6
92bsu1146045 39% 0.558 PF00005 C1_S146 - (0)10 - / 1 / 26 6
93bsu1225048 35% 0.468 PF08402 C1_S145 - (0)13 - / 24 / 10 6
94bsu0177020 79% 0.598 PF00408 C3_S115 - (14)8 - / - / 7 6
95bsu2289029 62% 0.687 PF02224 C2_S133 - (27)13 1 / 10 / 9 6
96bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
97bsu2741028 50% 0.437 PF07973 C1_S127 - (21)14 3 / 6 / 8 6
98bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
99bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
100bsu0082035 79% 0.534 PF01336 C5_S142 - (28)14 - / 11 / 6 6

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