Structure of PDB 4uh9 Chain A

Receptor sequence

>4uh9A (length=404) Species: 9913 (Bos taurus)

GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPPAEQLLSQ
ARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQ
AWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRS
AITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQ
HGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAAL
GLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNIL
EDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATVS
FMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQ
PDPW

3D structure

• PDB: 4uh9 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
• Chain: A
• Resolution: 2.14 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C186 R189 W358 E363
• Catalytic site (residue number reindexed from 1): C108 R111 W280 E285
• 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 M341 F355 W358 E363 W449 F475 Y477	W102 R107 C108 V109 M263 F277 W280 E285 W371 F397 Y399
BS02	H4B	A	S104 R367 A448 W449	S38 R289 A370 W371
BS03	S85	A	P336 V338 F355 W358 E363	P258 V260 F277 W280 E285	MOAD: Ki=30238nM BindingDB: Ki=30238nM
BS04	S85	A	R151 E154 E158 H166 L167	R73 E76 E80 H88 L89	MOAD: Ki=30238nM BindingDB: Ki=30238nM
BS05	ZN	A	C96 C101	C30 C35
BS06	H4B	A	W447 F462 E465	W369 F384 E387

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:4uh9, PDBe:4uh9, PDBj:4uh9
• PDBsum: 4uh9
• PubMed: 26120733
• UniProt: P29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)