Structure of PDB 6sdm Chain A Binding Site BS01

Receptor Information
>6sdm Chain A (length=354) Species: 29323 (Thermoanaerobacter brockii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMMKGFAMLSIGKVGWIEKEKPAPGPFDAIVRPLAVAPCTSDIHTVFEGA
IGERHNMILGHEAVGEVVEVGSEVKDFKPGDRVVVPAITPDWRTSEVQRG
YHQHSGGMLAGWKFSNVKDGVFGEFFHVNDADMNLAHLPKEIPLEAAVMI
PDMMTTGFHGAELADIELGATVAVLGIGPVGLMAVAGAKLRGAGRIIAVS
KPPVCVDAAKYYGATDIVNVKDGPIESQIMNLTEGKGVDAAIIAGGNADI
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 chain6sdm 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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PDB6sdm Versatile selective evolutionary pressure using synthetic defect in universal metabolism.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		C37 S39 H59
Binding residue
(residue number reindexed from 1)		C39 S41 H61
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C37 S39 H42 H59 D150
Catalytic site (residue number reindexed from 1) C39 S41 H44 H61 D152
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:6sdm, PDBe:6sdm, PDBj:6sdm
PDBsum6sdm
PubMed34824282
UniProtP14941|ADH_THEBR NADP-dependent isopropanol dehydrogenase (Gene Name=adh)

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