Structure of PDB 5uo8 Chain B

Receptor sequence

>5uo8B (length=402) Species: 9606 (Homo sapiens)

KFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPAPEQLLSQAR
DFINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAW
RNAPRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAI
TVFPQRCPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHG
WTPGNGRFDVLPLLLQAPDEPPELFLLPPELVLEVPLEHPTLEWFAALGL
RWYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILED
VAVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDHHAATASFM
KHLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPD
PW

3D structure

• PDB: 5uo8 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: 2.18 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C184 R187 W356 E361
• 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	H4B	B	W445 F460 H461 Q462 E463	W367 F382 H383 Q384 E385
BS02	ZN	B	C94 C99	C28 C33
BS03	HEM	B	W178 R183 C184 F353 G355 W356 E361 W447 F473 Y475	W100 R105 C106 F275 G277 W278 E283 W369 F395 Y397
BS04	H4B	B	S102 R365 A446 W447	S36 R287 A368 W369
BS05	8EV	B	V104 V336 N338 W356 E361 W447 Y475	V38 V258 N260 W278 E283 W369 Y397	MOAD: Ki=12.3uM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:5uo8, PDBe:5uo8, PDBj:5uo8
• PDBsum: 5uo8
• PubMed: 28422508
• UniProt: P29474|NOS3_HUMAN Nitric oxide synthase 3 (Gene Name=NOS3)