Structure of PDB 3jt4 Chain A

Receptor sequence

>3jt4A (length=409) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVW

3D structure

• PDB: 3jt4 Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
• Chain: A
• Resolution: 1.8 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 G417 F584 W587 E592 W678 F704 Y706	W102 C108 V109 G110 F277 W280 E285 W371 F397 Y399
BS02	H4B	A	S334 R596 V677 W678	S36 R289 V370 W371
BS03	JM8	A	Q478 P565 F584 W587 Y588 E592 D597	Q171 P258 F277 W280 Y281 E285 D290	MOAD: Ki=33uM
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:3jt4, PDBe:3jt4, PDBj:3jt4
• PDBsum: 3jt4
• PubMed: 20014790
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)