Structure of PDB 6sch Chain D Binding Site BS02

Receptor Information

>6sch Chain D (length=354) Species: 1520 (Clostridium beijerinckii)

MKGFAMLGINKLGWIEKERPVAGSYDAIVRPLAVSPCTSDIHTVFEGALG
DRKNMILGHEAVGEVVEVGSEVKDFKPGDRVIVPCTTPDWRSLEVQAGFQ
QHSNGMLAGWKFSNFKDGVFGEYFHVNDADMNLAILPKDMPLENAVMITD
MMTTGFHGAELADIQMGSSVVVIGIGAVGLMGIAGAKLRGAGRIIGVDYR
PICVEAAKFYGATDILNPKNGHIVDQVMKLTNGKGVDRVIMAGGGSETLS
QAVSMVKPGGIISNINYHGSGDALLIPRVEWGCGMAHKTIKGGLCPGGRL
RAEMLRDMVVYNRVDLSKLVTHVYHGFDHIEEALLLMKDKPKDLIKAVVI
LHHH

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6sch Chain D Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6sch Versatile selective evolutionary pressure using synthetic defect in universal metabolism.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): C37 H59 D150
• Binding residue (residue number reindexed from 1): C37 H59 D150
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C37 S39 H42 H59 D150
• Catalytic site (residue number reindexed from 1): C37 S39 H42 H59 D150
• 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

External links

• PDB: RCSB:6sch, PDBe:6sch, PDBj:6sch
• PDBsum: 6sch
• PubMed: 34824282
• UniProt: P25984|ADH_CLOBE NADP-dependent isopropanol dehydrogenase (Gene Name=adh)