Structure of PDB 1ylh Chain A Binding Site BS03 |
| >1ylh Chain A (length=524) Species: 67854 (Actinobacillus succinogenes)
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DLNKLVKELNDLGLTDVKEIVYNPSYEQLFEEETKPGLEGFDKGTLTTLG
AVAVDTGIFTGRSPKDKYIVCDETTKDTVWWNSEAAKNDNKPMTQETWKS
LRELVAKQLSGKRLFVVEGYCGASEKHRIGVRMVTEVAWQAHFVKNMFIR
PTDEELKNFKADFTVLNGAKCTNPNWKEQGLNSENFVAFNITEGIQLIGG
TWYGGEMKKGMFSMMNYFLPLKGVASMHCSANVGKDGDVAIFFGLSGTGK
TTLSTDPKRQLIGDDEHGWDESGVFNFEGGCYAKTINLSQENEPDIYGAI
RRDALLENVVVRADGSVDFDDGSKTENTRVSYPIYHIDNIVRPVSKAGHA
TKVIFLTADAFGVLPPVSKLTPEQTEYYFLSGFTAPTPTFSACFGAAFLS
LHPIQYADVLVERMKASGAEAYLVNTGWNGTGKRISIKDTRGIIDAILDG
SIEKAEMGELPIFNLAIPKALPGVDPAILDPRDTYADKAQWQVKAEDLAN
RFVKNFVKYTANPEAAKLVGAGPK |
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| Ligand ID | DT3 |
| InChI | InChI=1S/C4H10O5S2/c5-3(1-10)4(6)2-11(7,8)9/h3-6,10H,1-2H2,(H,7,8,9)/p-1/t3-,4-/m1/s1 |
| InChIKey | BJXWUWDPCVAQDI-QWWZWVQMSA-M |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C([C@H]([C@@H](CS(=O)(=O)[O-])O)O)S | | CACTVS 3.341 | O[C@H](CS)[C@H](O)C[S]([O-])(=O)=O | | OpenEye OEToolkits 1.5.0 | C(C(C(CS(=O)(=O)[O-])O)O)S | | ACDLabs 10.04 | O=S([O-])(=O)CC(O)C(O)CS | | CACTVS 3.341 | O[CH](CS)[CH](O)C[S]([O-])(=O)=O |
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| Formula | C4 H9 O5 S2 |
| Name | (2S,3S)-2,3-DIHYDROXY-4-SULFANYLBUTANE-1-SULFONATE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1ylh Chain A Residue 592
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