Structure of PDB 5adg Chain B

Receptor sequence

>5adgB (length=408) Species: 9606 (Homo sapiens)

RFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPATKDQLFPLA
KEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTELIYGAKHA
WRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSA
ITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQ
GWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFEWFKDLG
LKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILE
EVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESF
IKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQP
DPWNTHVW

3D structure

• PDB: 5adg Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
• Chain: B
• Resolution: 1.982 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C420 R423 W592 E597
• Catalytic site (residue number reindexed from 1): C107 R110 W279 E284
• 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	B	D535 W721	D222 W408
BS02	H4B	B	F696 H697 Q698 E699	F383 H384 Q385 E386
BS03	ZN	B	C331 C336	C28 C33
BS04	HEM	B	W414 R419 C420 F589 W592 E597 W683 F709 Y711	W101 R106 C107 F276 W279 E284 W370 F396 Y398
BS05	H4B	B	S339 R601 V682 W683	S36 R288 V369 W370
BS06	XEB	B	V572 W592 E597 Y711	V259 W279 E284 Y398	MOAD: Ki=0.295uM BindingDB: Ki=295nM
BS07	XEB	B	F360 K364 M383 L386 E387 N390 D394	F47 K51 M70 L73 E74 N77 D81	MOAD: Ki=0.295uM BindingDB: Ki=295nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:5adg, PDBe:5adg, PDBj:5adg
• PDBsum: 5adg
• PubMed: 26469213
• UniProt: P29475|NOS1_HUMAN Nitric oxide synthase 1 (Gene Name=NOS1)