Structure of PDB 3jwx Chain B

Receptor sequence

>3jwxB (length=401) Species: 9913 (Bos taurus)

KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPAEQLLSQARD
FINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWR
NAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAIT
VFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGW
TPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLR
WYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNILEDV
AVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATVSFMK
HLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQPDP
W

3D structure

• PDB: 3jwx Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
• Chain: B
• Resolution: 2.0 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C186 R189 W358 E363
• Catalytic site (residue number reindexed from 1): C105 R108 W277 E282
• 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	W447 F462 Q464 E465	W366 F381 Q383 E384
BS02	ZN	B	C96 C101	C28 C33
BS03	HEM	B	W180 C186 V187 M341 F355 W358 E363 F475	W99 C105 V106 M260 F274 W277 E282 F394
BS04	H4B	B	S104 R367 A448 W449	S36 R286 A367 W368
BS05	JI5	B	V106 L107 P336 W358 E363 Y477	V38 L39 P255 W277 E282 Y396	MOAD: Ki=20300nM BindingDB: Ki=28000nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:3jwx, PDBe:3jwx, PDBj:3jwx
• PDBsum: 3jwx
• PubMed: 20337441
• UniProt: P29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)