Structure of PDB 7f3p Chain B Binding Site BS01

Receptor Information
>7f3p Chain B (length=354) Species: 29323 (Thermoanaerobacter brockii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMKGFAMLSIGKVGWIEKEKPAPGPFDAIVRPLAVAPCTSDIHTVFEGA
IGERHNMILGHEAVGEVVEVGSEVKDFKPGDRVVVSALTPDWRTSEVQRG
YHQHSGGMLAGWKFSNVKDGVFGEFFHVNDADMNLAHLPKEIPLEAAVMI
PDMMTTGFHGAELADIELGATVAVLGIGPVGLMAVAGAKLRGAGRIIAVG
SRPVCVDAAKYYGATDIVNYKDGPIESQIMNLTEGKGVDAAIIAGGNADI
MATAVKIVKPGGTIANVNYFGEGEVLPVPRLEWGCGMAHKTIKGGLCPGG
RLRMERLIDLVFYKRVDPSKLVTHVFRGFDNIEKAFMLMKDKPKDLIKPV
VILA
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 chain7f3p Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7f3p Unlocking the Stereoselectivity and Substrate Acceptance of Enzymes: Proline-Induced Loop Engineering Test.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		C37 H59 D150
Binding residue
(residue number reindexed from 1)		C39 H61 D152
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.80: isopropanol dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050009 isopropanol dehydrogenase (NADP+) activity

View graph for
Molecular Function
External links
PDB RCSB:7f3p, PDBe:7f3p, PDBj:7f3p
PDBsum7f3p
PubMed34658118
UniProtP14941|ADH_THEBR NADP-dependent isopropanol dehydrogenase (Gene Name=adh)

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