Structure of PDB 5xgx Chain B Binding Site BS01

Receptor Information

>5xgx Chain B (length=381) Species: 167879 (Colwellia psychrerythraea 34H)

TMLILLCNVNIYAPNPLGIKDVLIAGNKIAAIYDHGQGEITIPKQWPVKV
INFDGAILTPGFIDSHAHITGGGGQAGFATQVPPVGLTEFTHAGVTTVVG
LLGTDDTTRSTENLLSRVYGLREEGLSAYCWTGGYHFPLTTITGSAKSDI
AFLEPVIGIGEFAISDHRSSQPTFEEVIRLASETHVAGLITGKAGVIHFH
LGDGERRLELIERAIRETELPARVFNPTHVNRNKPLFEDSCKLLSKGCHI
DLTAFPAGTAQPGWEACDAIEMAVERQLPLEQITLSSDGGGCLPCMDFGR
ASTLGETLVATLNKGLSLETVLPMLTSNVANILRFKNKGQIAVGFDADLL
VMNEKYEITDVMAQGVWHKQNNQTMIKGTFE

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5xgx Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xgx Crystal structure and functional characterization of an isoaspartyl dipeptidase (CpsIadA) from Colwellia psychrerythraea strain 34H.
• Resolution: 2.33 Å
• Binding residue (original residue number in PDB): H71 E166 D293
• Binding residue (residue number reindexed from 1): H66 E161 D288
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H71 H73 E166 H205 H234 D293
• Catalytic site (residue number reindexed from 1): H66 H68 E161 H200 H229 D288
• Enzyme Commision number: 3.4.19.-

Gene Ontology

Molecular Function

• GO:0008237 metallopeptidase activity
• GO:0008798 beta-aspartyl-peptidase activity
• GO:0016787 hydrolase activity
• GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5xgx, PDBe:5xgx, PDBj:5xgx
• PDBsum: 5xgx
• PubMed: 28723955
• UniProt: Q484B6