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BioLiP

Structure of PDB 1hdy Chain B Binding Site BS04

Receptor Information
>1hdy Chain B (length=374) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STAGKVIKCKAAVLWEVKKPFSIEDVEVAPPKAYEVRIKMVAVGICHTDD
HVVSGNLVTPLPVILGHEAAGIVESVGEGVTTVKPGDKVIPLFTPQCGKC
RVCKNPESNYCLKNDLGNPRGTLQDGTRRFTCRGKPIHHFLGTSTFSQYT
VVDENAVAKIDAASPLEKVCLIGCGFSTGYGSAVNVAKVTPGSTCAVFGL
GGVGLSAVMGCKAAGAARIIAVDINKDKFAKAKELGATECINPQDYKKPI
QEVLKEMTDGGVDFSFEVIGRLDTMMASLLCCHEACGTSVIVGVPPASQN
LSINPMLLLTGRTWKGAVYGGFKSKEGIPKLVADFMAKKFSLDALITHVL
PFEKINEGFDLLHSGKSIRTVLTF
Ligand information
Ligand IDPYZ
InChIInChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKeyLLNQWPTUJJYTTE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Ic1cnnc1
OpenEye OEToolkits 1.5.0c1c(cn[nH]1)I
CACTVS 3.341Ic1c[nH]nc1
FormulaC3 H3 I N2
Name4-IODOPYRAZOLE
ChEMBL
DrugBankDB02721
ZINCZINC000002046962
PDB chain1hdy Chain B Residue 378 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hdy Structures of three human beta alcohol dehydrogenase variants. Correlations with their functional differences.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T48 H67 F93 L116
Binding residue
(residue number reindexed from 1)		T48 H67 F93 L116
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C46 H47 T48 H51 H67 E68 C97 C100 C103 C111 D115 C174 T178 R369
Catalytic site (residue number reindexed from 1) C46 H47 T48 H51 H67 E68 C97 C100 C103 C111 D115 C174 T178 R369
Enzyme Commision number 1.1.1.105: all-trans-retinol dehydrogenase (NAD(+)).
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0004745 all-trans-retinol dehydrogenase (NAD+) activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0001523 retinoid metabolic process
GO:0006629 lipid metabolic process
GO:0042572 retinol metabolic process
GO:0042573 retinoic acid metabolic process
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hdy, PDBe:1hdy, PDBj:1hdy
PDBsum1hdy
PubMed8201622
UniProtP00325|ADH1B_HUMAN All-trans-retinol dehydrogenase [NAD(+)] ADH1B (Gene Name=ADH1B)

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