Structure of PDB 4c3a Chain B

Receptor sequence

>4c3aB (length=403) Species: 10116 (Rattus norvegicus)

KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRPAEQLLSQA
RDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQA
WRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSA
ITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQH
GWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALG
LRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNILE
DVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATVSF
MKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQP
DPW

3D structure

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

Enzymatic activity

• Catalytic site (original residue number in PDB): C186 R189 W358 E363
• Catalytic site (residue number reindexed from 1): C107 R110 W279 E284
• 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	H4B	B	F462 Q464 E465	F383 Q385 E386
BS02	ZN	B	C96 C101	C28 C33
BS03	HEM	B	W180 C186 V187 F355 W358 E363 W449 F475 Y477	W101 C107 V108 F276 W279 E284 W370 F396 Y398
BS04	H4B	B	S104 R367 A448 W449	S36 R288 A369 W370
BS05	Q16	B	L107 P336 V338 F355 W358 E363 Y477	L39 P257 V259 F276 W279 E284 Y398	MOAD: Ki=6727nM BindingDB: Ki=6727nM

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)