Structure of PDB 6pn2 Chain B

Receptor sequence

>6pn2B (length=415) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTVRTKDQ
LFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIY
GAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKG
NLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTE
ICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDW
FKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSR
YNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHS
ATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPS
FEYQPDPWNTHVWKG

3D structure

• PDB: 6pn2 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
• Chain: B
• Resolution: 1.877 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C415 R418 W587 E592
• Catalytic site (residue number reindexed from 1): C112 R115 W284 E289
• 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	F691 H692 Q693	F388 H389 Q390
BS02	HEM	B	H341 W409 R414 C415 F584 W587 E592 F704 Y706	H43 W106 R111 C112 F281 W284 E289 F401 Y403
BS03	H4B	B	S334 R596 V677 W678	S36 R293 V374 W375
BS04	OSD	B	V567 F584 W587 E592 Y706	V264 F281 W284 E289 Y403	MOAD: Ki=0.071uM BindingDB: Ki=71nM
BS05	ZN	B	C326 C331	C28 C33

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:6pn2, PDBe:6pn2, PDBj:6pn2
• PDBsum: 6pn2
• PubMed: 32302123
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)