Structure of PDB 5adn Chain A

Receptor sequence

>5adnA (length=410) Species: 9913 (Bos taurus)

GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTPPA
EQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESEL
VFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATN
RGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEI
TELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTL
EWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDP
HRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDH
HAATVSFMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILS
PAFRYQPDPW

3D structure

• PDB: 5adn Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
• Chain: A
• Resolution: 2.0 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C186 R189 W358 E363
• Catalytic site (residue number reindexed from 1): C114 R117 W286 E291
• 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 G357 W358 E363 F475 Y477	W108 R113 C114 V115 F283 G285 W286 E291 F403 Y405
BS02	H4B	A	S104 R367 A448 W449	S38 R295 A376 W377
BS03	2SN	A	Q249 V338 N340 M341 W358 E363	Q177 V266 N268 M269 W286 E291	BindingDB: Ki=11500nM
BS04	ZN	A	C96 C101	C30 C35
BS05	H4B	A	W447 F462 E465	W375 F390 E393

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:5adn, PDBe:5adn, PDBj:5adn
• PDBsum: 5adn
• PubMed: 26469213
• UniProt: P29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)