Structure of PDB 1d1t Chain B Binding Site BS02
Receptor Information
>1d1t Chain B (length=373) Species:
9606
(Homo sapiens) [
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GTAGKVIKCKAAVLWEQKQPFSIEEIEVAPPKTKEVRIKILATGICRTDD
HVIKGTMVSKFPVIVGHEATGIVESIGEGVTTVKPGDKVIPLFLPQCREC
NACRNPDGNLCIRSDITGRGVLADGTTRFTCKGKPVHHFLNTSTFTEYTV
VDESSVAKIDDAAPPEKVCLIGCGFSTGYGAAVKTGKVKPGSTCVVFGLG
GVGLSVIMGCKSAGASRIIGIDLNKDKFEKAMAVGATECISPKDSTKPIS
EVLSEMTGNNVGYTFEVIGHLETMIDALASCHMNYGTSVVVGVPPSAKML
TYDPMLLFTGRTWKGCVFGGLKSRDDVPKLVTEFLAKKFDLDQLITHVLP
FKKISEGFELLNSGQSIRTVLTF
Ligand information
Ligand ID
ZN
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
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
1d1t Chain B Residue 376 [
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Receptor-Ligand Complex Structure
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PDB
1d1t
Methionine-141 directly influences the binding of 4-methylpyrazole in human sigma sigma alcohol dehydrogenase.
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
C46 H67 C174
Binding residue
(residue number reindexed from 1)
C46 H67 C173
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
C46 R47 T48 H51 H67 E68 C97 C100 C103 C111 D115 C174 T178 R369
Catalytic site (residue number reindexed from 1)
C46 R47 T48 H51 H67 E68 C97 C100 C103 C111 D115 C173 T177 R368
Enzyme Commision number
1.1.1.1
: alcohol dehydrogenase.
1.1.1.105
: all-trans-retinol dehydrogenase (NAD(+)).
1.1.1.66
: omega-hydroxydecanoate dehydrogenase.
Gene Ontology
Molecular Function
GO:0004022
alcohol dehydrogenase (NAD+) activity
GO:0004031
aldehyde oxidase activity
GO:0004745
all-trans-retinol dehydrogenase (NAD+) activity
GO:0008270
zinc ion binding
GO:0016491
oxidoreductase activity
GO:0019841
retinol binding
GO:0035276
ethanol binding
GO:0046872
metal ion binding
GO:0048019
receptor antagonist activity
GO:0050153
omega-hydroxydecanoate dehydrogenase activity
Biological Process
GO:0001523
retinoid metabolic process
GO:0006629
lipid metabolic process
GO:0009617
response to bacterium
GO:0010430
fatty acid omega-oxidation
GO:0042572
retinol metabolic process
GO:0042573
retinoic acid metabolic process
GO:0045471
response to ethanol
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0005886
plasma membrane
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Biological Process
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Cellular Component
External links
PDB
RCSB:1d1t
,
PDBe:1d1t
,
PDBj:1d1t
PDBsum
1d1t
PubMed
10631979
UniProt
P40394
|ADH7_HUMAN All-trans-retinol dehydrogenase [NAD(+)] ADH7 (Gene Name=ADH7)
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