Structure of PDB 7rgn Chain A Binding Site BS01

Receptor Information

>7rgn Chain A (length=340) Species: 498019 (Candidozyma auris)

MAEVLKKSGVIYGDDVRKLFDYAQEKGFAIPAINVTSSSTVVAALESARD
NKSPIILQTSQGGAAYFAGKGVSNSDQTASIQGSIAAAHYIRAISPVYGI
PVILHTDHCAKKLLPWFDGMLKADEEFFAKTGQPLFSSHMLDLSEETDDE
NIATCVKYFERMSKMNQWLEMEIGITGGESLYTQPETVFAVYKALAPISP
NFSIAAAFGNVHGNVQLRPSILGEHQKYAKEQIGTDNKKPLYLVFHGGSG
SSQEEFDTAIASGVVKVNLDTDCQYAYLTGIRDYILNKKEYLMTPVGNPD
GEDKPNKKYFDPRVWVREGEKSMSARIAEALEIFHTKNQL

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: 7rgn Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7rgn Crystal structure of putative fructose-1,6-bisphosphate aldolase from Candida auris
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): H108 E172 H224 H263
• Binding residue (residue number reindexed from 1): H108 E172 H212 H246
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.2.13: fructose-bisphosphate aldolase.

Gene Ontology

Molecular Function

• GO:0004332 fructose-bisphosphate aldolase activity
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0016832 aldehyde-lyase activity
• GO:0046872 metal ion binding
• GO:1904408 melatonin binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006094 gluconeogenesis
• GO:0006096 glycolytic process
• GO:0061621 canonical glycolysis

Cellular Component

• GO:0005739 mitochondrion
• GO:0005829 cytosol

External links

• PDB: RCSB:7rgn, PDBe:7rgn, PDBj:7rgn
• PDBsum: 7rgn
• UniProt: A0A2H0ZD48