Structure of PDB 8fgt Chain A

Receptor sequence

>8fgtA (length=401) Species: 9606 (Homo sapiens)

KFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPPEQLLSQARD
FINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAWR
NAPRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAIT
VFPQRCPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGW
TPGNGRFDVLPLLLQAPDEPPELFLLPPELVLEVPLEHPTLEWFAALGLR
WYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILEDV
AVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDHHAATASFMK
HLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDP
W

3D structure

• PDB: 8fgt Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
• Chain: A
• Resolution: 1.9 Å

Enzymatic activity

• 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	A	W178 C184 S226 F353 W356 E361 W447 F473 Y475	W99 C105 S147 F274 W277 E282 W368 F394 Y396
BS02	H4B	A	S102 R365 A446 W447	S36 R286 A367 W368
BS03	XVK	A	P334 V336 M339 F353 S354 W356 E361	P255 V257 M260 F274 S275 W277 E282
BS04	ZN	A	C94 C99	C28 C33
BS05	H4B	A	W445 F460 H461 Q462 E463	W366 F381 H382 Q383 E384

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:8fgt, PDBe:8fgt, PDBj:8fgt
• PDBsum: 8fgt
• PubMed: 37433128
• UniProt: P29474|NOS3_HUMAN Nitric oxide synthase 3 (Gene Name=NOS3)