Structure of PDB 5uo7 Chain B

Receptor sequence

>5uo7B (length=411) Species: 9606 (Homo sapiens)

PRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPSATKDQLFP
LAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTELIYGAK
HAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLR
SAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICI
QQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFEWFKD
LGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNI
LEEVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATE
SFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEY
QPDPWNTHVWK

3D structure

• PDB: 5uo7 Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
• Chain: B
• Resolution: 2.06 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C420 R423 W592 E597
• Catalytic site (residue number reindexed from 1): C109 R112 W281 E286
• 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	H4B	B	F696 H697 Q698 E699	F385 H386 Q387 E388
BS02	ZN	B	C331 C336	C29 C34
BS03	HEM	B	W414 R419 C420 F589 W592 E597 W683 F709 Y711	W103 R108 C109 F278 W281 E286 W372 F398 Y400
BS04	H4B	B	S339 R601 V682 W683	S37 R290 V371 W372
BS05	8FD	B	P570 V572 N574 M575 W592 E597 Y711	P259 V261 N263 M264 W281 E286 Y400	MOAD: Ki=0.046uM BindingDB: Ki=74nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:5uo7, PDBe:5uo7, PDBj:5uo7
• PDBsum: 5uo7
• PubMed: 28422508
• UniProt: P29475|NOS1_HUMAN Nitric oxide synthase 1 (Gene Name=NOS1)