Structure of PDB 1p6k Chain B

Receptor sequence

>1p6kB (length=410) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRNYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWK

3D structure

• PDB: 1p6k Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
• Chain: B
• Resolution: 1.78 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	ZN	B	C326 C331	C28 C33
BS02	H4B	B	W676 F691 H692 E694	W369 F384 H385 E387
BS03	MTL	B	S477 A497 N498 F501 D709 W711	S170 A190 N191 F194 D402 W404
BS04	HEM	B	W409 R414 C415 F584 S585 W587 E592 W678 F704 Y706	W102 R107 C108 F277 S278 W280 E285 W371 F397 Y399
BS05	H4B	B	S334 R596 V677 W678	S36 R289 V370 W371
BS06	DP1	B	S477 Q478 R481 V567 N569 S585 G586 W587 E592 Y706	S170 Q171 R174 V260 N262 S278 G279 W280 E285 Y399	MOAD: Ki=67uM BindingDB: Ki=130nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:1p6k, PDBe:1p6k, PDBj:1p6k
• PDBsum: 1p6k
• PubMed: 14718923
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)