Structure of PDB 7tsi Chain A

Receptor sequence

>7tsiA (length=401) Species: 9606 (Homo sapiens)

KFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPPEQLLSQARD
FINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAWR
NAPRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAIT
VFPQRCPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGW
TPGNGRFDVLPLLLQAPDEPPELFLLPPELVLEVPLEHPTLEWFAALGLR
WYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILEDV
AVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDHHAATASFMK
HLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDP
W

3D structure

• PDB: 7tsi 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
• Chain: A
• Resolution: 2.1 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 A181 C184 S226 M339 F353 W356 E361 W447 F473 Y475	W99 A102 C105 S147 M260 F274 W277 E282 W368 F394 Y396
BS02	H4B	A	S102 R365 W447	S36 R286 W368
BS03	KMI	A	P334 V336 F353 S354 E361	P255 V257 F274 S275 E282
BS04	CL	A	Y357 N366	Y278 N287
BS05	ZN	A	C94 C99	C28 C33
BS06	H4B	A	W445 F460 H461 E463	W366 F381 H382 E384

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:7tsi, PDBe:7tsi, PDBj:7tsi
• PDBsum: 7tsi
• PubMed: 35772285
• UniProt: P29474|NOS3_HUMAN Nitric oxide synthase 3 (Gene Name=NOS3)