Structure of PDB 4hkv Chain A

Receptor sequence

>4hkvA (length=446) Species: 69011 (Pseudomonas sp. C18)

MNYNNKILVSESGLSQKHLIHGDEELFQHELKTIFARNWLFLTHDSLIPA
PGDYVTAKMGIDEVIVSRQNDGSIRAFLNVCRHRGKTLVSVEAGNAKGFV
CSYHGWGFGSNGELQSVPFEKDLYGESLNKKCLGLKEVARVESFHGFIYG
CFDQEAPPLMDYLGDAAWYLEPMFKHSGGLELVGPPGKVVIKANWKAPAE
NFVGDAYHVGWTHASSLRSGESIFSSLAGNAALPPEGAGLQMTSKYGSGM
GVLWDGYSGVHSADLVPELMAFGGAKQERLNKEIGDVRARIYRSHLNCTV
FPNNSMLTCSGVFKVWNPIDANTTEVWTYAIVEKDMPEDLKRRLADSVQR
TFGPAGFWESDDNDNMETASQNGKKYQSRDSDLLSNLGFGEDVYGDAVYP
GVVGKSAIGETSYRGFYRAYQAHVSSSNWAEFEHASSTWHTELTKT

3D structure

• PDB: 4hkv Naphthalene 1,2-Dioxygenase bound to benzamide
• Chain: A
• Resolution: 1.65 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H104 D205 H208 H213 D362
• Catalytic site (residue number reindexed from 1): H104 D205 H208 H213 D362
• Enzyme Commision number: 1.14.12.12: naphthalene 1,2-dioxygenase.

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	FES	A	C81 H83 R84 C101 Y103 H104 W106	C81 H83 R84 C101 Y103 H104 W106
BS02	FE	A	H208 H213 D362	H208 H213 D362
BS03	UNU	A	N201 H208 H295 N297	N201 H208 H295 N297

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0018625 naphthalene 1,2-dioxygenase activity
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity
• GO:0051537 2 iron, 2 sulfur cluster binding

Biological Process

• GO:0009056 catabolic process
• GO:0044237 cellular metabolic process

External links

• PDB: RCSB:4hkv, PDBe:4hkv, PDBj:4hkv
• PDBsum: 4hkv
• PubMed: 28989720
• UniProt: P0A111|NDOB_PSEU8 Naphthalene 1,2-dioxygenase system, large oxygenase component (Gene Name=doxB)