Structure of PDB 5oht Chain B Binding Site BS02 |
| >5oht Chain B (length=666) Species: 83333 (Escherichia coli K-12)
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LDFQFHQNDSFTLHFQQRLILTHSKDNPCLWIGSGIADIDMFRGNFSIKD
KLQEKIALTDAIVSQSPDGWLIHFSRGSDISATLNISADRLLLELQNDNL
NHNRIWLRLAAQPEDHIYGCGEQFSYFDLRGKPFPLWTSEQGVGRNKQTY
VTWQADCKENAGGDYYWTFFPQPTFVSTQKYYCHVDNSCYMNFDFSAPEY
HELALWEDKATLRFECADTYISLLEKLTALLGRQPELPDWIYDGVTLGIQ
GGTEVCQKKLDTMRNAGVKVNGIWAQDWSGIRMTSFGKRVMWNWKWNSEN
YPQLDSRIKQWNQEGVQFLAYINPYVASDKDLCEEAAQHGYLAKDASGGD
YLVEFGEFYGGVVDLTNPEAYAWFKEVIKKNMIELGCGGWMADFGEYLPT
DTYLHNGVSAEIMHNAWPALWAKCNYEALEETGKLGEILFFMRAGSTGSQ
KYSTMMWAGDQNVDWSLDDGLASVVPAALSLAMTGHGLHHSDIGGYTTLF
EMKRSKELLLRWCDFSAFTPMMRTHEGNRPGDNWQFDGDAETIAHFARMT
TVFTTLKPYLKEAVALNAKSGLPVMRPLFLHYEDDAHTYTLKYQYLLGRD
ILVAPVHEEGRSDWTLYLPEDNWVHAWTGEAFRGGEVTVNAPIGKPPVFY
RADSEWAALFASLKSI |
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| Ligand ID | 9VH |
| InChI | InChI=1S/C6H13NO5S/c8-5-2-7-1-4(6(5)9)3-13(10,11)12/h4-9H,1-3H2,(H,10,11,12)/t4-,5-,6-/m1/s1 |
| InChIKey | RCSXCFCCYYFFCY-HSUXUTPPSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | O[CH]1CNC[CH](C[S](O)(=O)=O)[CH]1O | | OpenEye OEToolkits 2.0.6 | C1C(C(C(CN1)O)O)CS(=O)(=O)O | | OpenEye OEToolkits 2.0.6 | C1[C@@H]([C@H]([C@@H](CN1)O)O)CS(=O)(=O)O | | CACTVS 3.385 | O[C@@H]1CNC[C@H](C[S](O)(=O)=O)[C@H]1O |
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| Formula | C6 H13 N O5 S |
| Name | [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5oht Chain B Residue 702
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| Enzyme Commision number |
3.2.1.199: sulfoquinovosidase. |
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