Structure of PDB 1eoi Chain B Binding Site BS01

Receptor Information

>1eoi Chain B (length=222) Species: 563 (Shimwellia blattae)

GNDTTTKPDLYYLKNSEAINSLALLPPPPAVGSIAFLNDQAMYEQGRLLR
NTERGKLAAEDANLSSGGVANAFSGAFGSPITEKDAPALHKLLTNMIEDA
GDLATRSAKDHYMRIRPFAFYGVSTCNTTEQDKLSKNGSYPSGHTSIGWA
TALVLAEINPQRQNEILKRGYELGQSRVICGYHWQSDVDAARVVGSAVVA
TLHTNPAFQQQLQKAKAEFAQH

Ligand information

• Ligand ID: MOO
• InChI: InChI=1S/Mo.4O/q;;;2*-1
• InChIKey: MEFBJEMVZONFCJ-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-][Mo](=O)(=O)[O-]
  ACDLabs 10.04
  CACTVS 3.341: [O-][Mo]([O-])(=O)=O
• Formula: Mo O4
• Name: MOLYBDATE ION;
  MOLYBDATE
• DrugBank: DB15878
• PDB chain: 1eoi Chain B Residue 1002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1eoi X-ray structures of a novel acid phosphatase from Escherichia blattae and its complex with the transition-state analog molybdate.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): K115 R122 S148 G149 H150 R183 H189
• Binding residue (residue number reindexed from 1): K109 R116 S142 G143 H144 R177 H183
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H150 R183 H189 D193
• Catalytic site (residue number reindexed from 1): H144 R177 H183 D187
• Enzyme Commision number: 3.1.3.2: acid phosphatase.

Gene Ontology

Molecular Function

• GO:0003993 acid phosphatase activity

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:1eoi, PDBe:1eoi, PDBj:1eoi
• PDBsum: 1eoi
• PubMed: 10835340
• UniProt: Q9S1A6