Structure of PDB 7p7i Chain AAA Binding Site BS01

Receptor Information

>7p7i Chain AAA (length=304) Species: 559292,1315976

GTMYYGFDIGGTKIEFGAFDADLVRVARERVATPTESYAAFLDAIVTLVN
NADAEFGVKGTVGIGIPGIADVETGKLLTSNIPAAMGHTLQRDLEERLQR
PVKIENDANCFALSEAWDEDLRGEPSVLGLILGTGVGGGLIFNGKVHSGR
ANIAGEIGHTRLPYDALKLLGMENAPIFPCGCKNSGCIDNYLSGRGFEQL
YDHYFSEKLSAPEIIAHYEQGERRAVQHVERFMELLAICLANIFTCLDPH
VVVLGGGLSNFELIYQELPKRLPAHLLHVAKLPKIIKARHGDAGGVRGAA
FLNL

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: 7p7i Chain AAA Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7p7i Structure and function of N-acetylglucosamine kinase illuminates the catalytic mechanism of ROK kinases
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): H157 C178 C180 C185
• Binding residue (residue number reindexed from 1): H159 C180 C182 C187
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.59: N-acetylglucosamine kinase.

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0008270 zinc ion binding
• GO:0016301 kinase activity
• GO:0031386 protein tag activity
• GO:0042802 identical protein binding
• GO:0044389 ubiquitin-like protein ligase binding
• GO:0045127 N-acetylglucosamine kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006044 N-acetylglucosamine metabolic process
• GO:0009254 peptidoglycan turnover
• GO:0016310 phosphorylation
• GO:0016925 protein sumoylation
• GO:0046835 carbohydrate phosphorylation

Cellular Component

• GO:0000794 condensed nuclear chromosome
• GO:0005634 nucleus
• GO:0005940 septin ring

External links

• PDB: RCSB:7p7i, PDBe:7p7i, PDBj:7p7i
• PDBsum: 7p7i
• UniProt: Q12306|SMT3_YEAST Ubiquitin-like protein SMT3 (Gene Name=SMT3);
  R8APY9