PDB Entry (4uql)
PDB ID: 4uql Resolution: 1.22 Å Exp. Method: X-RAY DIFFRACTION
PMID: 25315838 DOI: 10.1007/S00775-014-1203-9
Protein
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
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 72.03 10.95 Amidosulfinic Acid
Binding Affinity
-