Structure of PDB 3qe3 Chain A Binding Site BS01

Receptor Information

>3qe3 Chain A (length=351) Species: 9940 (Ovis aries)

AENLSLVVHGPGDLRLENYPIPEPGPNEVLLKMHSVGICGSDVHYWQHGR
IGDFVVKKPMVLGHEASGTVVKVGSLVRHLQPGDRVAIQPGAPRQTDEFC
KIGRYNLSPTIFFCATPPDDGNLCRFYKHNANFCYKLPDNVTFEEGALIE
PLSVGIHACRRAGVTLGNKVLVCGAGPIGLVNLLAAKAMGAAQVVVTDLS
ASRLSKAKEVGADFILEISNESPEEIAKKVEGLLGSKPEVTIECTGVETS
IQAGIYATHSGGTLVLVGLGSEMTSVPLVHAATREVDIKGVFRYCNTWPM
AISMLASKSVNVKPLVTHRFPLEKALEAFETSKKGLGLKVMIKCDPSDQN
P

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: 3qe3 Chain A Residue 356

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qe3 X-ray crystal structure and small-angle X-ray scattering of sheep liver sorbitol dehydrogenase.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): C43 H68 E69
• Binding residue (residue number reindexed from 1): C39 H64 E65
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C43 G44 S45 H48 H68 E69 R98 D101 C104 S112 F116 P155 G159 K343
• Catalytic site (residue number reindexed from 1): C39 G40 S41 H44 H64 E65 R94 D97 C100 S108 F112 P151 G155 K339
• Enzyme Commision number: 1.1.1.-
  1.1.1.14: L-iditol 2-dehydrogenase.
  1.1.1.9: D-xylulose reductase.

Gene Ontology

Molecular Function

• 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

External links

• PDB: RCSB:3qe3, PDBe:3qe3, PDBj:3qe3
• PDBsum: 3qe3
• PubMed: 21543846
• UniProt: P07846|DHSO_SHEEP Sorbitol dehydrogenase (Gene Name=SORD)