Structure of PDB 8fgq Chain D Binding Site BS02

Receptor Information

>8fgq Chain D (length=401) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPAPEQLLSQARD
FINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAWR
NAPRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAIT
VFPQRCPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGW
TPGNGRFDVLPLLLQAPDEPPELFLLPPELVLEVPLEHPTLEWFAALGLR
WYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILEDV
AVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDHHAATASFMK
HLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDP
W

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

8fgq Chain C Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8fgq Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	C94 C99
Binding residue (residue number reindexed from 1)	C27 C32
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.14.13.39: nitric-oxide synthase (NADPH).

Gene Ontology

	Molecular Function
GO:0004517	nitric-oxide synthase activity

	Biological Process
GO:0006809	nitric oxide biosynthetic process

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Molecular Function

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Biological Process

External links

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

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