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]
200bsu3390049 100% 0.592 PF03952 C1_S130 - (26)10 - / 1 / 24 7
201bsu3193025 63% 0.600 PF05222 C3_S167 - (57)10 3 / 6 / 6 3
202bsu3567022 53% 0.488 PF00483 C1_S166 - (52)10 - / 11 / 5 3
203bsu1122051 45% 0.565 PF00202 C1_S155 - (34)10 - / 4 / 21 3
204bsu2319026 100% 0.540 PF00768 C5_S135 - (0)10 - / - / 9 2
205bsu0178030 71% 0.566 PF01380 C2_S118 - (15)10 - / - / 11 5
206bsu0594024 45% 0.592 PF00814 C2_S132 - (25)10 - / 14 / 4 5
207bsu1555021 100% 0.871 PF00215 C2_S139 - (26)10 - / 12 / 2 3
208bsu1187038 50% 0.586 PF01053 C1_S121 - (15)10 - / 2 / 15 4
209bsu2266023 48% 0.470 PF00218 C1_S113 - (5)10 - / 5 / 4 5
210bsu0373045 37% 0.532 PF00005 C1_S131 - (0)10 - / 1 / 20 5
211bsu1304030 56% 0.582 PF00175 C1_S173 - (29)10 16 / 3 / 4 2
212bsu0652023 44% 0.495 PF02142 C12_S117 - (10)10 2 / 7 / 3 3
213bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
214bsu2386029 83% 0.558 PF03446 C2_S127 - (14)10 - / 3 / 9 4
215bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
216bsu3886049 65% 0.611 PF16363 C1_S1139 - (120)10 43 / 10 / - 4
217bsu1146045 39% 0.558 PF00005 C1_S146 - (0)10 - / 1 / 26 6
218bsu0359038 59% 0.553 PF08402 C1_S131 - (0)10 - / 16 / 14 5
219bsu3866030 35% 0.477 PF00005 C1_S132 - (0)10 - / 11 / 5 5
220bsu2829025 69% 0.479 PF07991 C4_S137 - (0)10 5 / 3 / 9 0
221bsu0457019 39% 0.540 PF08245 C1_S146 - (22)10 1 / 6 / - 4
222bsu2496034 38% 0.527 PF00005 C1_S121 - (0)10 - / 5 / 13 6
223bsu3488024 44% 0.693 PF00977 C1_S129 - (0)9 2 / 5 / 4 5
224bsu3796027 45% 0.609 PF00171 C4_S128 - (12)9 - / 6 / 4 3
225bsu1590027 49% 0.595 PF00698 C1_S119 - (14)9 - / - / 7 0
226bsu3383036 43% 0.639 PF08402 C1_S137 - (0)9 - / 13 / 2 4
227bsu4088062 54% 0.580 PF03372 C1_S1139 - (0)9 - / 9 / 23 1
228bsu3462035 56% 0.490 PF16657 C1_S135 - (0)9 - / 2 / 23 4
229bsu3409025 34% 0.447 PF00005 C1_S130 - (0)9 - / 3 / 6 4
230bsu1710020 56% 0.569 PF00698 C2_S113 - (5)9 - / - / 5 0
231bsu1165024 100% 0.462 PF03070 C4_S136 - (16)9 - / - / 15 3
232bsu0074021 39% 0.521 PF00425 C1_S114 - (0)9 - / - / 7 2
233bsu0972023 47% 0.473 PF00005 C1_S126 - (0)9 - / 8 / 4 4
234bsu0643031 61% 0.595 PF02222 C2_S149 - (36)9 - / 12 / 10 5
235bsu1300050 36% 0.497 PF00005 C1_S144 - (0)9 - / 5 / 22 5
236bsu0788030 100% 0.684 PF01451 C6_S129 - (2)9 - / - / 14 4
237bsu3970019 100% 0.605 PF02894 C1_S139 - (0)9 - / 10 / 3 3
238bsu1677052 61% 0.622 PF00701 C4_S184 - (75)9 - / - / 15 3
239bsu0863026 57% 0.502 PF14815 C3_S153 - (0)9 12 / 1 / 6 2
240bsu1137052 38% 0.448 PF00005 C1_S153 - (0)9 - / 7 / 26 6
241bsu3495020 59% 0.568 PF00295 C2_S137 - (0)9 - / - / 14 4
242bsu1800020 53% 0.589 PF00694 C3_S129 - (13)9 - / - / 5 4
243bsu1565030 37% 0.440 PF08282 C1_S129 - (23)9 - / 4 / 6 3
244bsu2839057 100% 0.547 PF01177 C3_S159 - (42)9 - / - / 43 4
245bsu1815022 91% 0.529 PF02055 C2_S135 - (2)9 - / 1 / 3 1
246bsu0615030 43% 0.576 PF00107 C1_S152 - (30)9 1 / 2 / 6 1
247bsu0869038 61% 0.408 PF00005 C2_S132 - (0)9 - / 18 / 4 6
248bsu2573024 41% 0.464 PF03446 C1_S130 - (16)9 - / - / 13 4
249bsu1136036 37% 0.497 PF00005 C1_S137 - (0)9 - / 2 / 6 4
250bsu1439023 52% 0.498 PF00294 C1_S143 - (32)9 - / 1 / 8 4

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