Structure of PDB 1iac Chain A Binding Site BS01

Receptor Information

>1iac Chain A (length=200) Species: 6715 (Astacus astacus)

AAILGDEYLWSGGVIPYTFAGVSGADQSAILSGMQELEEKTCIRFVPRTT
ESDYVEIFTSGSGCWSYVGRISGAQQVSLQANGCVYHGTIIHELMHAIGF
YHEHTRMDRDNYVTINYQNVDPSMTSNFDIDTYSRYVGEDYQYYSIMHYG
KYSFSIQWGVLETIVPLQNGIDLTDPYDKAHMLQTDANQINNLYTNECSL

Ligand information

• Ligand ID: HG
• InChI: InChI=1S/Hg/q+2
• InChIKey: BQPIGGFYSBELGY-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Hg++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Hg+2]
• Formula: Hg
• Name: MERCURY (II) ION
• PDB chain: 1iac Chain A Residue 999

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1iac Refined 1.8 A X-ray crystal structure of astacin, a zinc-endopeptidase from the crayfish Astacus astacus L. Structure determination, refinement, molecular structure and comparison with thermolysin.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): H92 H96 H102 Y149
• Binding residue (residue number reindexed from 1): H92 H96 H102 Y149
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H92 E93 H96 H102 Y149
• Catalytic site (residue number reindexed from 1): H92 E93 H96 H102 Y149
• Enzyme Commision number: 3.4.24.21: astacin.

Gene Ontology

Molecular Function

• GO:0004222 metalloendopeptidase activity
• GO:0008237 metallopeptidase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:1iac, PDBe:1iac, PDBj:1iac
• PDBsum: 1iac
• PubMed: 8445658
• UniProt: P07584|ASTA_ASTAS Astacin