Structure of PDB 4k5i Chain B

Receptor sequence

>4k5iB (length=405) Species: 9913 (Bos taurus)

KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLPAEQLLS
QARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAK
QAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLR
SAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCI
QHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAA
LGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNI
LEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATV
SFMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRY
QPDPW

3D structure

• PDB: 4k5i Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
• Chain: B
• Resolution: 2.08 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	H4B	B	W447 F462 H463 Q464 E465	W370 F385 H386 Q387 E388
BS02	ZN	B	C96 C101	C28 C33
BS03	HEM	B	W180 R185 C186 V187 G188 F355 W358 E363 W449 F475 Y477	W103 R108 C109 V110 G111 F278 W281 E286 W372 F398 Y400
BS04	H4B	B	S104 R367 A448 W449	S36 R290 A371 W372
BS05	1Q7	B	P336 V338 F355 W358 E363 W449	P259 V261 F278 W281 E286 W372	MOAD: Ki=15213nM BindingDB: Ki=15213nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:4k5i, PDBe:4k5i, PDBj:4k5i
• PDBsum: 4k5i
• PubMed: 23993333
• UniProt: P29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)