BioLiP

Structure of PDB 6pn3 Chain B

Receptor sequence

>6pn3B (length=411) Species: 10116 (Rattus norvegicus) [Search protein sequence]

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG

3D structure

PDB

6pn3 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.

Chain

Resolution

1.8 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	C415 R418 W587 E592
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	H4B	B	F691 H692 Q693 E694	F384 H385 Q386 E387
BS02	HEM	B	W409 R414 C415 F584 W587 E592 W678 F704 Y706	W102 R107 C108 F277 W280 E285 W371 F397 Y399
BS03	H4B	B	S334 R596 V677 W678	S36 R289 V370 W371
BS04	OUP	B	V567 F584 W587 E592 W678 Y706	V260 F277 W280 E285 W371 Y399	MOAD: Ki=0.049uM BindingDB: Ki=49nM
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

View graph for
Molecular Function

View graph for
Biological Process

PDB	RCSB:6pn3, PDBe:6pn3, PDBj:6pn3
PDBsum	6pn3
PubMed	32302123
UniProt	P29476\|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)