Structure of PDB 6xmr Chain A Binding Site BS01

Receptor Information

>6xmr Chain A (length=362) Species: 1358 (Lactococcus lactis)

MSKIERISAFLNDKEVDMTFITNPTTLNYLTGLAIDPSERIAGLMIFRDS
TPMLFTPALEVEKAKEHTSGLDIFGYEDSQNPWEVVKNHVKSDVKSIAVE
FSDIPLAKTEGLKAQFGDINFVNLTPLIERMRLIKSADEIEKMKVAGDFA
DKCFEIGFATAAERNGVTESDIVAKIEYEMKRMGVPQMSFDTLVLSGARA
ANPHGAPENVEIQENKLLLFDLGVMSGGYASDATRTIAIGQPNDFDAEIH
KIVKEAQQAAMDFIKPGVTAHEVDAVARDLITKAGYGEYFNHRLGHGIGM
DVHEYPSIVAGNDLVIQEGMCFSNEPGIYIPGKVGVRIEDCLYVTENGCE
SFTHTDHDLLIF

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 6xmr Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6xmr Crystallographic structure of recombinant Lactococcus lactis prolidase to support proposed structure-function relationships.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D232 H296 S323 E325 E339
• Binding residue (residue number reindexed from 1): D232 H296 S323 E325 E339
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H204 T234 E325
• Catalytic site (residue number reindexed from 1): H204 T234 E325
• Enzyme Commision number: 3.4.13.9: Xaa-Pro dipeptidase.

Gene Ontology

Molecular Function

• GO:0004177 aminopeptidase activity
• GO:0016805 dipeptidase activity
• GO:0046872 metal ion binding
• GO:0102009 proline dipeptidase activity

External links

• PDB: RCSB:6xmr, PDBe:6xmr, PDBj:6xmr
• PDBsum: 6xmr
• PubMed: 28179139
• UniProt: A8WBX8