Structure of PDB 2iav Chain A Binding Site BS01

Receptor Information

>2iav Chain A (length=312) Species: 6622 (Loligo vulgaris)

IPVIEPLFTKVTEDIPGAEGPVFDKNGDFYIVAPEVEVNGKPAGEILRID
LKTGKKTVICKPEVNGYGGIPAGCQCDRDANQLFVADMRLGLLVVQTDGT
FEEIAKKDSEGRRMQGCNDCAFDYEGNLWITAPAGEVAPADYTRSMQEKF
GSIYCFTTDGQMIQVDTAFQFPNGIAVRHMNDGRPYQLIVAETPTKKLWS
YDIKGPAKIENKKVWGHIPGTHEGGADGMDFDEDNNLLVANWGSSHIEVF
GPDGGQPKMRIRCPFEKPSNLHFKPQTKTIFVTEAENNAVWKFEWQRNGK
KQYCETLKFGIF

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2iav Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2iav Mutational and structural studies of the diisopropylfluorophosphatase from Loligo vulgaris shed new light on the catalytic mechanism of the enzyme
• Resolution: 1.07 Å
• Binding residue (original residue number in PDB): E21 N120 N175 D229
• Binding residue (residue number reindexed from 1): E19 N118 N173 D227
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E21 E37 N120 N175 D229 A287
• Catalytic site (residue number reindexed from 1): E19 E35 N118 N173 D227 A285
• Enzyme Commision number: 3.8.2.2: diisopropyl-fluorophosphatase.

Gene Ontology

Molecular Function

• GO:0005509 calcium ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0047862 diisopropyl-fluorophosphatase activity

Biological Process

• GO:0008150 biological_process

External links

• PDB: RCSB:2iav, PDBe:2iav, PDBj:2iav
• PDBsum: 2iav
• PubMed: 15966726
• UniProt: Q7SIG4|DFPA_LOLVU Diisopropyl-fluorophosphatase