Structure of PDB 8ch1 Chain A Binding Site BS04 |
| >8ch1 Chain A (length=478) Species: 311402 (Allorhizobium ampelinum S4)
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ERRALKIGVNGIPVTLEPINAISNVGPRIVNQIFDTLVVRDFFSNGAPGN
GINLMPSLAESWERIDDKSVRFKLRQKVMFHDGVEMTADDVAYTFSSERL
WGPDAIKVIPLGGSYALDFDEPVVEDKYTVVIRTKTPTPLTESYMASWMG
RIVPKAYYKTLGTAAFGNKPVGTGPYKFVEFVANDRVVIEANDAYWGLKP
TASKITYQLVAEPATRVAGLISGEYDIVTTLTPDDMALINSYPDLETRGN
IVENFHMFTFNMNQPVFQSKPLRRALALAVNRPLIVQSLWMNKATIPNGF
NFPNYGKTFDPNRRAMEYNIEEAKRLVKESGYDGTPITYHTMGNYYANAV
PALMMMIEMWKQIGVTVVPKVYAPGGAPKDQDSYMRNWSNGQWMTDAWAT
MICEFGPKGQVQKRWGWKAPAEFNDLCTKVSQIPDSKERFDAFNRLRDIF
EEEAPAVILYQPFDVYAARKDVHWRPIS |
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| Ligand ID | VDF |
| InChI | InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1 |
| InChIKey | QIAIUTJEZJIPSH-KLVWXMOXSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | O[C@H]1CO[C@H](O)[C@H](O[P](O)(O)=O)[C@H]1O | | OpenEye OEToolkits 2.0.7 | C1C(C(C(C(O1)O)OP(=O)(O)O)O)O | | OpenEye OEToolkits 2.0.7 | C1[C@@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O | | CACTVS 3.385 | O[CH]1CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O |
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| Formula | C5 H11 O8 P |
| Name | 2-O-phosphono-beta-L-arabinopyranose;
2-O-phosphono-beta-L-arabinose;
2-O-phosphono-L-arabinose;
2-O-phosphono-arabinose;
[(2S,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ch1 Chain A Residue 601
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