Structure of PDB 4y0a Chain A Binding Site BS03

Receptor Information

>4y0a Chain A (length=179) Species: 557600 (Acinetobacter baumannii AB307-0294)

PSKAFETLPNIYLVGPMGAGKTTVGRHLAELLGREFLDSDHEIERKTGAT
IPWIFEKEGEVGFRTRETVVLNELTSRKALVLATGGGAITQAPNREFLKQ
RGIVVYLYTPVELQLQRTYRDKNRPLLQVENPEQKLRDLLKIRDPLYREV
AHYTIETNQGAARDLAQKILQLILSNKLK

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 4y0a Chain A Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4y0a Structure of shikimate kinase, an in vivo essential metabolic enzyme in the nosocomial pathogen Acinetobacter baumannii, in complex with shikimate.
• Resolution: 1.911 Å
• Binding residue (original residue number in PDB): G28 A29 G30 K31 T32 R134
• Binding residue (residue number reindexed from 1): G18 A19 G20 K21 T22 R124
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.71: shikimate kinase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004765 shikimate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008652 amino acid biosynthetic process
• GO:0009073 aromatic amino acid family biosynthetic process
• GO:0009423 chorismate biosynthetic process
• GO:0016310 phosphorylation
• GO:0019752 carboxylic acid metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:4y0a, PDBe:4y0a, PDBj:4y0a
• PDBsum: 4y0a
• PubMed: 26249354
• UniProt: A0A0M3KL09