Structure of PDB 2b8j Chain A Binding Site BS02

Receptor Information

>2b8j Chain A (length=211) Species: 562 (Escherichia coli)

SPSPLNPGTNVARLAEQAPIHWVSVAQIENSLAGRPPMAVGFDIDDTVLF
SSPGFWRGKKTFSPESEDYLKNPVFWEKMNNGWDEFSIPKEVARQLIDMH
VRRGDAIFFVTGRSPTKTETVSKTLADNFHIPATNMNPVIFAGDKPGQNT
KSQWLQDKNIRIFYGDSDNDITAARDVGARGIRILRASNSTYKPLPQAGA
FGEEVIVNSEY

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 2b8j Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2b8j A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
• Resolution: 2.033 Å
• Binding residue (original residue number in PDB): G113 K152
• Binding residue (residue number reindexed from 1): G112 K151
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.2: acid phosphatase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003993 acid phosphatase activity
• GO:0016787 hydrolase activity
• GO:0036424 L-phosphoserine phosphatase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space
• GO:0042597 periplasmic space

External links

• PDB: RCSB:2b8j, PDBe:2b8j, PDBj:2b8j
• PDBsum: 2b8j
• PubMed: 16330049
• UniProt: P0AE22|APHA_ECOLI Class B acid phosphatase (Gene Name=aphA)