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
51bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
52bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
53bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
54bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
55bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
56bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
57bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
58bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
59bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
60bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1
61bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16
62bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
63bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
64bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
65bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
66bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
67bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
68bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
69bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
70bsu2264085 61% 0.590 PF00291 C3_S184 - (75)19 7 / 13 / 44 10
71bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
72bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
73bsu2813038 51% 0.641 PF00490 C8_S139 - (22)18 - / 1 / 27 2
74bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
75bsu1017040 45% 0.509 PF08541 C2_S152 - (31)18 - / 3 / 15 4
76bsu3637038 52% 0.593 PF07977 C2_S123 - (0)18 - / - / 13 0
77bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
78bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
79bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
80bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
81bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
82bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
83bsu1133037 58% 0.542 PF08541 C2_S151 - (31)17 - / 6 / 13 3
84bsu1809039 73% 0.555 PF01751 C3_S136 - (0)17 4 / 13 / 11 13
85bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
86bsu0662032 69% 0.522 PF03119 C6_S134 - (20)17 - / 11 / 12 0
87bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
88bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
89bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
90bsu0166025 100% 0.558 PF01915 C1_S134 - (15)16 - / - / 14 4
91bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
92bsu0050049 51% 0.534 PF12804 C1_S158 - (37)16 - / 22 / 18 9
93bsu3213041 88% 0.640 PF00478 C2_S146 - (28)16 - / 3 / 17 3
94bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
95bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
96bsu2905091 100% 0.634 PF00248 C5_S1151 - (87)15 31 / 6 / 25 4
97bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
98bsu3439029 97% 0.845 PF00135 C1_S1100 - (24)15 - / - / 11 0
99bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
100bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7

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