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]
150bsu0283036 55% 0.557 PF00106 C1_S1110 - (73)12 19 / 11 / 3 4
151bsu0313033 100% 0.789 PF02540 C5_S166 - (59)12 - / 14 / 16 5
152bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
153bsu3689046 84% 0.544 PF14681 C6_S149 - (38)12 - / 10 / 21 5
154bsu0006036 73% 0.601 PF01751 C3_S131 - (0)12 2 / 16 / 5 8
155bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
156bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
157bsu1577029 50% 0.489 PF00069 C1_S156 - (15)12 1 / 4 / 10 8
158bsu1312020 49% 0.518 PF14850 C1_S134 - (26)12 6 / - / 8 5
159bsu2743039 62% 0.613 PF08402 C1_S142 - (0)12 - / 21 / 7 5
160bsu0588020 77% 0.551 PF02156 C1_S146 - (22)12 - / - / 5 2
161bsu2934033 54% 0.650 PF08402 C1_S126 - (0)12 - / 15 / 7 5
162bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
163bsu2566057 45% 0.553 PF08501 C6_S168 - (63)12 5 / 15 / 26 4
164bsu3926027 60% 0.545 PF00232 C1_S191 - (74)12 - / - / 10 6
165bsu0642036 80% 0.612 PF00731 C7_S133 - (26)12 - / 1 / 16 4
166bsu1147045 37% 0.545 PF08402 C1_S140 - (0)12 - / 7 / 21 7
167bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
168bsu1025023 47% 0.584 PF03099 C2_S127 - (17)12 3 / 2 / 13 3
169bsu2396034 64% 0.544 PF08402 C1_S129 - (0)12 - / 16 / 9 5
170bsu1377034 57% 0.624 PF00106 C1_S1102 - (56)11 2 / 4 / 6 3
171bsu1592035 100% 0.792 PF00550 C7_S138 - (0)11 - / - / 8 2
172bsu1142032 100% 0.575 PF00579 C4_S135 - (24)11 4 / 3 / 6 3
173bsu3706044 70% 0.467 PF00265 C10_S142 - (41)11 13 / 16 / 3 5
174bsu0668030 64% 0.471 PF01425 C3_S152 - (0)11 - / - / 8 1
175bsu0223020 56% 0.531 PF02222 C1_S154 - (39)11 - / 7 / 13 5
176bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
177bsu3470043 43% 0.532 PF00005 C1_S127 - (0)11 - / 5 / 17 6
178bsu0146048 54% 0.582 PF00005 C1_S145 - (0)11 - / 1 / 33 5
179bsu2956017 37% 0.541 PF13193 C4_S170 - (15)11 - / 2 / 5 3
180bsu2909071 69% 0.537 PF00476 C4_S1184 - (118)11 37 / 18 / 8 0
181bsu0053032 53% 0.622 PF01195 C6_S115 - (0)11 - / 1 / 6 4
182bsu4011022 65% 0.601 PF00232 C2_S188 - (72)11 - / 4 / 7 5
183bsu1694036 69% 0.607 PF00154 C1_S142 - (0)11 - / 17 / 8 5
184bsu2759037 55% 0.552 PF02580 C10_S123 - (0)11 - / 3 / 9 1
185bsu3076040 35% 0.578 PF00005 C1_S133 - (0)11 - / 1 / 21 5
186bsu2864032 79% 0.477 PF01409 C1_S126 - (13)11 - / 8 / 6 8
187bsu0178030 71% 0.566 PF01380 C2_S118 - (15)10 - / - / 11 5
188bsu1555021 100% 0.871 PF00215 C2_S139 - (26)10 - / 12 / 2 3
189bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
190bsu2496034 38% 0.527 PF00005 C1_S121 - (0)10 - / 5 / 13 6
191bsu0594024 45% 0.592 PF00814 C2_S132 - (25)10 - / 14 / 4 5
192bsu3567022 53% 0.488 PF00483 C1_S166 - (52)10 - / 11 / 5 3
193bsu1146045 39% 0.558 PF00005 C1_S146 - (0)10 - / 1 / 26 6
194bsu2266023 48% 0.470 PF00218 C1_S113 - (5)10 - / 5 / 4 5
195bsu0457019 39% 0.540 PF08245 C1_S146 - (22)10 1 / 6 / - 4
196bsu0652023 44% 0.495 PF02142 C12_S117 - (10)10 2 / 7 / 3 3
197bsu3193025 63% 0.600 PF05222 C3_S167 - (57)10 3 / 6 / 6 3
198bsu2236023 46% 0.520 PF01336 C7_S122 - (16)10 - / 9 / 1 5
199bsu3886049 65% 0.611 PF16363 C1_S1139 - (120)10 43 / 10 / - 4
200bsu0390053 47% 0.585 PF00202 C1_S161 - (32)10 - / 6 / 20 3

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