Structure of PDB 8g2x Chain A Binding Site BS04

Receptor Information
>8g2x Chain A (length=374) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDD
QVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKC
RVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYT
VVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGL
GGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPI
QEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQN
LSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVL
PFEKINEGFDLLRSGESIRTILTF
Ligand information
Ligand IDPZO
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKeyWTKZEGDFNFYCGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1cccn1
CACTVS 3.341[nH]1cccn1
OpenEye OEToolkits 1.5.0c1c[nH]nc1
FormulaC3 H4 N2
NamePYRAZOLE
ChEMBLCHEMBL15967
DrugBankDB02757
ZINCZINC000000895257
PDB chain8g2x Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8g2x Atomic-resolution structures of horse liver alcohol dehydrogenase with NAD(+) and fluoroalcohols define strained Michaelis complexes.
Resolution1.47 Å
Binding residue
(original residue number in PDB)		S48 H67 F93 C174
Binding residue
(residue number reindexed from 1)		S48 H67 F93 C174
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0004745 all-trans-retinol dehydrogenase (NAD+) activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0042572 retinol metabolic process
GO:0042573 retinoic acid metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8g2x, PDBe:8g2x, PDBj:8g2x
PDBsum8g2x
PubMed
UniProtP00327|ADH1E_HORSE Alcohol dehydrogenase E chain

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