Structure of PDB 3ohr Chain A Binding Site BS02

Receptor Information

>3ohr Chain A (length=294) Species: 1423 (Bacillus subtilis)

AMLGGIEAGGTKFVCAVGREDGTIIDRIEFPTKMPDETIEKVIQYFSQFS
LQAIGIGSFGPVDNDKTSQTYGTITATPKAGWRHYPFLQTVKNEMKIPVG
FSTDVNAAALGEFLFGEAKGLDSCLYITIGTGIGAGAIVEGRLLQGLSHP
EMGHIYIRRHPDDVYQGKCPYHGDCFEGLASGPAIEARWGKKAADLSDIA
QVWELEGYYIAQALAQYILILAPKKIILGGGVMQQKQVFSYIYQYVPKIM
NSYLDFSELSDDISDYIVPPRLGSNAGIIGTLVLAHQALQAEAA

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: 3ohr Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ohr Structural studies of ROK fructokinase YdhR from Bacillus subtilis: insights into substrate binding and fructose specificity.
• Resolution: 1.66 Å
• Binding residue (original residue number in PDB): H153 C168 H171 C174
• Binding residue (residue number reindexed from 1): H154 C169 H172 C175
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.4: fructokinase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0008865 fructokinase activity
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0000272 polysaccharide catabolic process
• GO:0016310 phosphorylation
• GO:0046835 carbohydrate phosphorylation

External links

• PDB: RCSB:3ohr, PDBe:3ohr, PDBj:3ohr
• PDBsum: 3ohr
• PubMed: 21185308
• UniProt: O05510|SCRK_BACSU Putative fructokinase (Gene Name=gmuE)