Structure of PDB 6z42 Chain D Binding Site BS02

Receptor Information

>6z42 Chain D (length=329) Species: 768066 (Halomonas elongata DSM 2581)

MKSAVVRTFREPLVIEEVPVPRPGPGEILVKVAASGVCHTDLHAARGDWP
VKPPPFIPGHEGVGHVVAVGRGVQHVKEGDRVGVPWLYSTCGHCEHCLGG
WETLCESQQNTGYSVNAEYTLAQADYVGKLPDNVGFVEIAPVLCAGVTVY
KGLKMTDTRPGQWVVISGIGGLGHMAVQYARAMGLNVAAVDVDDAKLALA
ERLGATITVNAMQTDPARYLKQTIGGAHGALVTAVSPKAFEQALGMIRRG
GTVALNLPPGDFPLPIFDMVLNGITVRSIVGTRLDLQEALDFAGEGKVQA
TVKTEKLENINTVFDQMTQGHIRIVLDLA

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: 6z42 Chain D Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6z42 Uncommon overoxidative catalytic activity in a new halo-tolerant alcohol dehydrogenase
• Resolution: 4.0 Å
• Binding residue (original residue number in PDB): C96 C99 C102 C110
• Binding residue (residue number reindexed from 1): C91 C94 C97 C105
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C42 T44 H47 H65 C152
• Catalytic site (residue number reindexed from 1): C38 T40 H43 H60 C144
• Enzyme Commision number: 1.1.1.1: alcohol dehydrogenase.

Gene Ontology

Molecular Function

• GO:0004022 alcohol dehydrogenase (NAD+) activity
• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0046872 metal ion binding

External links

• PDB: RCSB:6z42, PDBe:6z42, PDBj:6z42
• PDBsum: 6z42
• UniProt: E1V3M3