BioLiP

Structure of PDB 5ade Chain B

Receptor sequence

>5adeB (length=411) Species: 10116 (Rattus norvegicus) [Search protein sequence]

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIVLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRNYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG

3D structure

PDB

5ade Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.

Chain

Resolution

2.1 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	F384 H385 Q386
BS02	ZN	B	C326 C331	C28 C33
BS03	HEM	B	W409 A412 C415 F584 S585 G586 W587 E592 F704 Y706	W102 A105 C108 F277 S278 G279 W280 E285 F397 Y399
BS04	H4B	B	S334 R596 V677 W678	S36 R289 V370 W371
BS05	XEB	B	V336 V567 W587 E592 Y706	V38 V260 W280 E285 Y399	BindingDB: Ki=58nM

Gene Ontology

	Molecular Function
GO:0004517	nitric-oxide synthase activity

	Biological Process
GO:0006809	nitric oxide biosynthetic process

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Molecular Function

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Biological Process

PDB	RCSB:5ade, PDBe:5ade, PDBj:5ade
PDBsum	5ade
PubMed	26469213
UniProt	P29476\|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)