Structure of PDB 1zzr Chain A

Receptor sequence

>1zzrA (length=407) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIVLPTKDQLFPLAK
EFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAW
RNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAI
TIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQG
WKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDLGL
KWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRNYCDNSRYNILEE
VAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFI
KHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPD
PWNTHVW

3D structure

• PDB: 1zzr Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
• Chain: A
• Resolution: 2.05 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C415 R418 W587 E592
• Catalytic site (residue number reindexed from 1): C106 R109 W278 E283
• 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	A	C326 C331	C28 C33
BS02	HEM	A	W409 C415 V416 F584 G586 W587 E592 W678 F704 Y706	W100 C106 V107 F275 G277 W278 E283 W369 F395 Y397
BS03	H4B	A	S334 R596 V677 W678	S36 R287 V368 W369
BS04	DP9	A	Q478 V567 S585 G586 W587 E592 Y706	Q169 V258 S276 G277 W278 E283 Y397	MOAD: Ki=42uM BindingDB: Ki=100nM,IC50=640nM
BS05	TFA	A	W587 V649	W278 V340
BS06	H4B	A	F691 H692 E694	F382 H383 E385

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