Structure of PDB 8gv3 Chain A Binding Site BS01

Receptor Information
>8gv3 Chain A (length=373) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTL
SGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKF
CLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVV
ADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGG
VGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQE
VLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIA
TRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSF
DEINKAFELMHSGKSIRTVVKIE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8gv3 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8gv3 The cryo-EM structure of GSNOR with NYY001
Resolution3.05 Å
Binding residue
(original residue number in PDB)		C102 C110
Binding residue
(residue number reindexed from 1)		C101 C109
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.-
1.1.1.1: alcohol dehydrogenase.
1.1.1.284: S-(hydroxymethyl)glutathione dehydrogenase.
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0005504 fatty acid binding
GO:0008270 zinc ion binding
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0018467 formaldehyde dehydrogenase (NAD+) activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051903 S-(hydroxymethyl)glutathione dehydrogenase [NAD(P)+] activity
GO:0080007 S-nitrosoglutathione reductase (NADH) activity
GO:0106321 S-(hydroxymethyl)glutathione dehydrogenase (NADP+) activity
GO:0106322 S-(hydroxymethyl)glutathione dehydrogenase (NAD+) activity
Biological Process
GO:0001523 retinoid metabolic process
GO:0003016 respiratory system process
GO:0006629 lipid metabolic process
GO:0010430 fatty acid omega-oxidation
GO:0032496 response to lipopolysaccharide
GO:0044281 small molecule metabolic process
GO:0045777 positive regulation of blood pressure
GO:0046294 formaldehyde catabolic process
GO:0051409 response to nitrosative stress
GO:0051775 response to redox state
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8gv3, PDBe:8gv3, PDBj:8gv3
PDBsum8gv3
PubMed
UniProtP11766|ADHX_HUMAN Alcohol dehydrogenase class-3 (Gene Name=ADH5)

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