PDB Entry (4uqp) |
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PDB ID: 4uqp | Resolution: 1.42 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 25315838 | DOI: 10.1007/S00775-014-1203-9 | |
Protein |
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Protein Name: Periplasmic [NiFe] hydrogenase small subunit | |
Uniprot ID/ACC: P18187 (PHNS_DESFR) | Organism: Desulfovibrio fructosivorans |
Gene Symbol: hydA | Gene ID: - |
Protein Class: OXIDOREDUCTASE |
Ligand |
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Ligand Name: morpholine-4-sulphinic acid | ||
Canonical SMILES: O[S@](=O)N1CCOCC1 | ||
Standard InChI: InChI=1S/C4H9NO3S/c6-9(7)5-1-3-8-4-2-5/h1-4H2,(H,6,7) | ||
HET Code: SOT | PubChem: 6912533 | |
DrugBank: - | ChEMBL: - | |
Molecular Formula: C4H9NO3S | Mol. Weight: 151.03032 | logP: -0.5447 |
HBD: 1 | HBA: 2 | |
#Rotatable Bonds: 1 | TPSA: 49.77 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Sulfonylation | TYR 214 | B | 72.85 | 10.98 | Amidosulfinic Acid |
Binding Affinity |
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