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Related entries of code: 1mpl
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1mpl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Named-alanyl-d-alanine carboxypeptidase
Ligand NameRE1
EC.Number E.C.3.4.16.4
Resolution 1.12(Å)
Affinity (Kd/Ki/IC50)Ki=0.17mM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v42 pp. 1199-208, 2003
Ligand Properties
Formula C11H24N3O6P
Molecular Weight 325.299
Exact Mass 325.140
No. of atoms 45
No. of bonds 44
Polar Surface Area 177.19
LOGP Value -3.72      (Computed with XLOGP3)
-1.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 0
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P15555  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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