Structure of PDB 3pne Chain A

Receptor sequence

>3pneA (length=410) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPDVRTKDQLFP
LAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAK
HAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLR
SAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICI
QQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKD
LGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNI
LEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATE
SFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEY
QPDPWNTHVW

3D structure

• PDB: 3pne Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.
• Chain: A
• Resolution: 1.97 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C415 R418 W587 E592
• Catalytic site (residue number reindexed from 1): C109 R112 W281 E286
• 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	W103 C109 V110 M264 F278 W281 E286 F398
BS02	H4B	A	S334 R596 V677 W678	S36 R290 V371 W372
BS03	8AX	A	M336 Q478 P565 V567 S585 W587 E592 Y706	M38 Q172 P259 V261 S279 W281 E286 Y400	MOAD: Ki=0.086uM BindingDB: Ki=86nM
BS04	ZN	A	C326 C331	C28 C33
BS05	H4B	A	W676 F691 E694	W370 F385 E388

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

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