Structure of PDB 3pnf Chain A

Receptor sequence

>3pnfA (length=409) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVW

3D structure

• PDB: 3pnf Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.
• Chain: A
• Resolution: 1.94 Å

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	HEM	A	W409 C415 F584 W587 E592 W678 F704	W102 C108 F277 W280 E285 W371 F397
BS02	H4B	A	S334 R596 V677 W678	S36 R289 V370 W371
BS03	8BX	A	M336 L337 Q478 P565 V567 W587 E592 Y706	M38 L39 Q171 P258 V260 W280 E285 Y399	MOAD: Ki=0.17uM BindingDB: Ki=170nM
BS04	ZN	A	C326 C331	C28 C33
BS05	H4B	A	F691 E694	F384 E387

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:3pnf, PDBe:3pnf, PDBj:3pnf
• PDBsum: 3pnf
• PubMed: 21809851
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)