Structure of PDB 3ce9 Chain B Binding Site BS01

Receptor Information

>3ce9 Chain B (length=348) Species: 272562 (Clostridium acetobutylicum ATCC 824)

SHRIAIPLILEVGNNKIYNIGQIIKKGNFKRVSLYFGEGIYELFGETIEK
SIKSSNIEIEAVETVKNIDFDEIGTNAFKIPAEVDALIGIGGGKAIDAVK
YMAFLRKLPFISVPTSTSNDGFSSPVASLLINGKRTSVPAKTPDGIVVDI
DVIKGSPEKFIYSGIGDLVSNITALYDWKFEEENHKSIIDDFAVMISKKS
VNSFVRTDFKSIKDEVFLKELVDSLTMNGIAMEIAGNSSPASGAEHLISH
ALDKFLPNPQLHGIQVGVATYIMSKVHKHREERIKKILSDTGFFNYVKGL
NMKKSDFKRAISEAHLIKPARYTYLHVEKNCETAKEIVDTDEILRNIL

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: 3ce9 Chain B Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ce9 Crystal structure of glycerol dehydrogenase (NP_348253.1) from Clostridium acetobutylicum at 2.37 A resolution
• Resolution: 2.37 Å
• Binding residue (original residue number in PDB): D171 H250 H266
• Binding residue (residue number reindexed from 1): D167 H246 H262
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D171 H250 S253 H266
• Catalytic site (residue number reindexed from 1): D167 H246 S249 H262

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
• GO:0046872 metal ion binding

Biological Process

• GO:0008654 phospholipid biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3ce9, PDBe:3ce9, PDBj:3ce9
• PDBsum: 3ce9
• UniProt: Q97IL4