Structure of PDB 1zzu Chain B

Receptor sequence

>1zzuB (length=411) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIVLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRNYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG

3D structure

• PDB: 1zzu Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
• Chain: B
• Resolution: 1.9 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	F691 H692 E694	F384 H385 E387
BS03	MTL	B	S477 A497 N498 Q500 F501 D709	S170 A190 N191 Q193 F194 D402
BS04	HEM	B	W409 R414 C415 F584 S585 G586 W587 E592 W678 Y706	W102 R107 C108 F277 S278 G279 W280 E285 W371 Y399
BS05	H4B	B	S334 R596 V677 W678	S36 R289 V370 W371
BS06	DP1	B	Q478 R481 P565 V567 N569 S585 G586 W587 E592 Y706	Q171 R174 P258 V260 N262 S278 G279 W280 E285 Y399	MOAD: Ki=63.3uM BindingDB: Ki=130nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity
• GO:0020037 heme binding

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:1zzu, PDBe:1zzu, PDBj:1zzu
• PDBsum: 1zzu
• PubMed: 16285725
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)