Structure of PDB 6png Chain B

Receptor sequence

>6pngB (length=409) Species: 9606 (Homo sapiens)

RFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPATKDQLFPLA
KEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTELIYGAKHA
WRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSA
ITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQ
GWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFEWFKDLG
LKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILE
EVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESF
IKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQP
DPWNTHVWK

3D structure

• PDB: 6png First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
• Chain: B
• Resolution: 1.775 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C420 R423 W592 E597
• Catalytic site (residue number reindexed from 1): C107 R110 W279 E284
• 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	OSG	B	M341 V682 W683	M38 V369 W370	MOAD: Ki=0.058uM BindingDB: Ki=58nM
BS02	OSG	B	W311 W681 F696	W8 W368 F383	MOAD: Ki=0.058uM BindingDB: Ki=58nM
BS03	ZN	B	C331 C336	C28 C33
BS04	HEM	B	W414 R419 C420 F589 W592 E597 W683 F709 Y711	W101 R106 C107 F276 W279 E284 W370 F396 Y398
BS05	OSG	B	V572 W592 E597 W683	V259 W279 E284 W370	MOAD: Ki=0.058uM BindingDB: Ki=58nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:6png, PDBe:6png, PDBj:6png
• PDBsum: 6png
• PubMed: 32302123
• UniProt: P29475|NOS1_HUMAN Nitric oxide synthase 1 (Gene Name=NOS1)