Structure of PDB 3wve Chain A

Receptor sequence
>3wveA (length=192) Species: 1833 (Rhodococcus erythropolis) [Search protein sequence]
AQAPVSDRAWALFRALDGKGLVPDGYVEGWKKTFEEDFSPRRGAELVARA
WTDPEFRQLLLTDGTAAVAQYGYLGPQGEYIVAVEDTPTLKNVIVCSLCS
CTAWPILGLPPTWYKSFEYRARVVREPRKVLSEMGTEIASDIEIRVYDTT
AETRYMVLPQRPAGTEGWSQEQLQEIVTKDCLIGVAIPQVPT
3D structure
PDB3wve Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile.
ChainA
Resolution1.57 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) C109 C112 S113 C114
Catalytic site (residue number reindexed from 1) C96 C99 S100 C101
Enzyme Commision number 4.2.1.84: nitrile hydratase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 FE A C109 A112 S113 C114 C96 A99 S100 C101
BS02 NO A A112 S113 C114 A99 S100 C101
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0018822 nitrile hydratase activity
GO:0046872 metal ion binding
GO:0046914 transition metal ion binding
GO:0080109 indole-3-acetonitrile nitrile hydratase activity

View graph for
Molecular Function
External links
PDB RCSB:3wve, PDBe:3wve, PDBj:3wve
PDBsum3wve
PubMed26333053
UniProtP13448|NHAA_RHOER Nitrile hydratase subunit alpha (Gene Name=nthA)

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