Structure of PDB 6xmr Chain A Binding Site BS02

Receptor Information
>6xmr Chain A (length=362) Species: 1358 (Lactococcus lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSKIERISAFLNDKEVDMTFITNPTTLNYLTGLAIDPSERIAGLMIFRDS
TPMLFTPALEVEKAKEHTSGLDIFGYEDSQNPWEVVKNHVKSDVKSIAVE
FSDIPLAKTEGLKAQFGDINFVNLTPLIERMRLIKSADEIEKMKVAGDFA
DKCFEIGFATAAERNGVTESDIVAKIEYEMKRMGVPQMSFDTLVLSGARA
ANPHGAPENVEIQENKLLLFDLGVMSGGYASDATRTIAIGQPNDFDAEIH
KIVKEAQQAAMDFIKPGVTAHEVDAVARDLITKAGYGEYFNHRLGHGIGM
DVHEYPSIVAGNDLVIQEGMCFSNEPGIYIPGKVGVRIEDCLYVTENGCE
SFTHTDHDLLIF
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain6xmr Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xmr Crystallographic structure of recombinant Lactococcus lactis prolidase to support proposed structure-function relationships.
Resolution1.7 Å
Binding residue
(original residue number in PDB)
D221 D232 E339
Binding residue
(residue number reindexed from 1)
D221 D232 E339
Annotation score1
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

View graph for
Molecular Function
External links
PDB RCSB:6xmr, PDBe:6xmr, PDBj:6xmr
PDBsum6xmr
PubMed28179139
UniProtA8WBX8

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