Structure of PDB 4c3a Chain A

Receptor sequence

>4c3aA (length=405) Species: 10116 (Rattus norvegicus)

GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRPAEQLLS
QARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAK
QAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLR
SAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCI
QHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAA
LGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNI
LEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATV
SFMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRY
QPDPW

3D structure

• PDB: 4c3a An Accessible Chiral Linker to Enhance Potency and Selectivity of Neuronal Nitric Oxide Synthase Inhibitors.
• Chain: A
• Resolution: 2.2 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C186 R189 W358 E363
• Catalytic site (residue number reindexed from 1): C109 R112 W281 E286
• Enzyme Commision number: 1.14.13.39: nitric-oxide synthase (NADPH).

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	HEM	A	W180 R185 C186 V187 F355 S356 W358 E363 W449 F475 Y477	W103 R108 C109 V110 F278 S279 W281 E286 W372 F398 Y400
BS02	H4B	A	S104 V106 R367 A448 W449	S38 V40 R290 A371 W372
BS03	Q16	A	L107 P336 V338 F355 W358 E363 Y477	L41 P259 V261 F278 W281 E286 Y400	MOAD: Ki=6727nM BindingDB: Ki=6727nM
BS04	ZN	A	C96 C101	C30 C35
BS05	H4B	A	W447 F462 E465	W370 F385 E388

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:4c3a, PDBe:4c3a, PDBj:4c3a
• PDBsum: 4c3a
• PubMed: 24660051
• UniProt: P29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)