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]
50bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
51bsu1577029 50% 0.489 PF00069 C1_S156 - (15)12 1 / 4 / 10 8
52bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
53bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
54bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
55bsu2864032 79% 0.477 PF01409 C1_S126 - (13)11 - / 8 / 6 8
56bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 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
59bsu0006036 73% 0.601 PF01751 C3_S131 - (0)12 2 / 16 / 5 8
60bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
61bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
62bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
63bsu1311037 58% 0.546 PF02844 C7_S159 - (7)12 - / 23 / - 8
64bsu3455027 100% 0.673 PF13419 C1_S122 - (11)13 - / 5 / 12 8
65bsu1091051 54% 0.633 PF14306 C2_S183 - (76)13 2 / 36 / 5 8
66bsu0743051 34% 0.613 PF00271 C4_S140 - (0)14 2 / 15 / 14 7
67bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
68bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
69bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
70bsu2733025 54% 0.532 PF00485 C1_S148 - (35)14 4 / 9 / 8 7
71bsu3390049 100% 0.592 PF03952 C1_S130 - (26)10 - / 1 / 24 7
72bsu0145061 53% 0.529 PF08402 C1_S146 - (0)13 - / 16 / 26 7
73bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
74bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
75bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
76bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
77bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
78bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
79bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
80bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
81bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
82bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
83bsu3502031 100% 0.656 PF01182 C4_S121 - (16)13 - / - / 18 7
84bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
85bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
86bsu1147045 37% 0.545 PF08402 C1_S140 - (0)12 - / 7 / 21 7
87bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
88bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
89bsu2521020 65% 0.591 PF01807 C3_S115 - (0)10 - / 7 / 5 6
90bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
91bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
92bsu3470043 43% 0.532 PF00005 C1_S127 - (0)11 - / 5 / 17 6
93bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
94bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
95bsu3926027 60% 0.545 PF00232 C1_S191 - (74)12 - / - / 10 6
96bsu2741028 50% 0.437 PF07973 C1_S127 - (21)14 3 / 6 / 8 6
97bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
98bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
99bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
100bsu2405034 44% 0.544 PF00676 C4_S131 - (20)8 - / 11 / 9 6

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