Structure of PDB 7y9p Chain A Binding Site BS01

Receptor Information

>7y9p Chain A (length=357) Species: 4924 (Scheffersomyces stipitis)

TANPSLVLNKIDDISFETYDAPEISEPTDVLVQVKKTGICGSDIHFYAHG
RIGNFVLTKPMVLGHESAGTVVQVGKGVTSLKVGDNVAIEPGIPCRFCDE
CKSGHYNLCPHMAFAATPNEPNPPGTLCKYFKSPEDFLVKLPDHVSLELG
ALVEPLSVGVHASKLGSVAFGDYVAVFGAGPVGLLAAAVAKTFGAKGVIV
VDIFDNKLKMAKDIGAATHTFNSKTGGSEELIKAFGGNVPNVVLECTGAE
PCIKLGVDAIAPGGRFVQVGNAAGPVSFPITVFAMKELTLFGSFRYGFND
YKTAVGIFDTNYQNGRENAPIDFEQLITHRYKFKDAIEAYDLVRAGKGAV
KCLIDGP

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: 7y9p Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7y9p Molecular evolutionary insight of structural zinc atom in yeast xylitol dehydrogenases and its application in bioethanol production by lignocellulosic biomass.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): C41 H66 E67
• Binding residue (residue number reindexed from 1): C40 H65 E66
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.1.1.9: D-xylulose reductase.

Gene Ontology

Molecular Function

• GO:0003939 L-iditol 2-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:0046526 D-xylulose reductase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006062 sorbitol catabolic process
• GO:0019569 L-arabinose catabolic process to xylulose 5-phosphate
• GO:0042732 D-xylose metabolic process

External links

• PDB: RCSB:7y9p, PDBe:7y9p, PDBj:7y9p
• PDBsum: 7y9p
• PubMed: 36732376
• UniProt: P22144|XYL2_PICST D-xylulose reductase (Gene Name=XYL2)