Structure of PDB 3iib Chain A Binding Site BS01

Receptor Information

>3iib Chain A (length=442) Species: 326297 (Shewanella amazonensis SB2B)

SDDINQKVAEQLAQKAQSSSLGYDIVESLTVEVGPRLAGSEQDKVAVDWA
IAKLQSLGFDRVYKEPVTVPVWRRGIAKASILSPFPQPLVVTALGGSIAT
PAQGLSATIVRFDTLQDLQNAEAGSLNDKIAFIDAKTERHRDGKGYGQTA
SGRSRGAVAAAEKGAVGIIIRSIGTDHDRMAHTGMMRYEEGVTAIPAAAI
SNPDADLINAMLKRDKEVVISLELGSERRGETTSYNVIAEVKGSTKADEI
VLIGAHLDSWDEGTGAIDDGAGVAIVTAAAKHILDLPQKPERTIRVVLYA
AEELGLLGGKTYAKEHEAELEKHYIAAESDFGAGPIYQIDWRVADTAHSP
VINAMKVAEPLGVAAGNNKASGGPDVSMLPALGVPVASLRQDGSDYFDYH
HTPNDTLDKINPEALAQNVAVYAQFAWVMANSKVELRPLPPK

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: 3iib Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3iib Crystal structure of Peptidase M28 precursor (YP_926796.1) from SHEWANELLA AMAZONENSIS SB2B at 1.70 A resolution
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D292 E327 H425
• Binding residue (residue number reindexed from 1): D268 E303 H401
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H280 D292 E326 E327
• Catalytic site (residue number reindexed from 1): H256 D268 E302 E303

Gene Ontology

Molecular Function

• GO:0004180 carboxypeptidase activity
• GO:0046872 metal ion binding
• GO:0070573 metallodipeptidase activity

Cellular Component

• GO:0005764 lysosome

External links

• PDB: RCSB:3iib, PDBe:3iib, PDBj:3iib
• PDBsum: 3iib
• UniProt: A1S420