Structure of PDB 3png Chain A

Receptor sequence

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

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVW

3D structure

• PDB: 3png Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
• Chain: A
• Resolution: 1.88 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 V416 M570 F584 W587 E592 F704	W102 C108 V109 M263 F277 W280 E285 F397
BS02	H4B	A	S334 R596 V677 W678	S36 R289 V370 W371
BS03	8CX	A	M336 Q478 P565 V567 S585 W587 E592 W678 Y706	M38 Q171 P258 V260 S278 W280 E285 W371 Y399	MOAD: Ki=0.026uM BindingDB: Ki=36nM,IC50=310nM
BS04	ZN	A	C326 C331	C28 C33
BS05	H4B	A	W676 F691 E694	W369 F384 E387

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

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