Structure of PDB 1zzq Chain A

Receptor sequence

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

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPTKDQLFPLAK
EFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAW
RNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAI
TIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQG
WKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDLGL
KWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRNYCDNSRYNILEE
VAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFI
KHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPD
PWNTHVW

3D structure

• PDB: 1zzq Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
• Chain: A
• Resolution: 1.9 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	MTL	A	S477 A497 N498 Q500 F501 N569 D709	S168 A188 N189 Q191 F192 N260 D400
BS03	HEM	A	W409 C415 F584 S585 W587 E592 W678 F704 Y706	W100 C106 F275 S276 W278 E283 W369 F395 Y397
BS04	H4B	A	S334 R596 V677 W678	S36 R287 V368 W369
BS05	DP9	A	P565 V567 S585 G586 W587 E592	P256 V258 S276 G277 W278 E283	MOAD: Ki=20uM BindingDB: Ki=100nM,IC50=640nM
BS06	H4B	A	W676 F691 H692 E694	W367 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:1zzq, PDBe:1zzq, PDBj:1zzq
• PDBsum: 1zzq
• PubMed: 16285725
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)