Structure of PDB 8fgk Chain D Binding Site BS01

Receptor Information

>8fgk Chain D (length=418) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPSQHARRPEDVA
TKDQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDT
ELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYA
TNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANV
QFTEICIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHP
KFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYC
DNSRYNILEEVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIV
DHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYR
LTPSFEYQPDPWNTHVWK

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

8fgk Chain C Residue 805 [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	8fgk Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
Resolution	2.25 Å
Binding residue (original residue number in PDB)	C331 C336
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:8fgk, PDBe:8fgk, PDBj:8fgk
PDBsum	8fgk
PubMed	37433128
UniProt	P29475\|NOS1_HUMAN Nitric oxide synthase 1 (Gene Name=NOS1)

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