Structure of PDB 4cu1 Chain A

Receptor sequence

>4cu1A (length=405) Species: 9913 (Bos taurus)

GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRPAEQLLS
QARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAK
QAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLR
SAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCI
QHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAA
LGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNI
LEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATV
SFMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRY
QPDPW

3D structure

• PDB: 4cu1 Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
• Chain: A
• Resolution: 1.89 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 C186 V187 G188 F355 W358 E363 W449 F475 Y477	W103 C109 V110 G111 F278 W281 E286 W372 F398 Y400
BS02	H4B	A	S104 V106 R367 A448 W449	S38 V40 R290 A371 W372
BS03	71S	A	Q249 P336 V338 N340 F355 W358 E363 W449 Y477	Q172 P259 V261 N263 F278 W281 E286 W372 Y400	MOAD: Ki=19417nM PDBbind-CN: -logKd/Ki=4.71,Kd=19.4uM BindingDB: Ki=16000nM
BS04	H4B	A	W447 F462 H463 E465	W370 F385 H386 E388
BS05	ZN	A	C96 C101	C30 C35

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:4cu1, PDBe:4cu1, PDBj:4cu1
• PDBsum: 4cu1
• PubMed: 24758147
• UniProt: P29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)