Browse entries in the PDBbind-CN Database

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Related entries of code: 4c1m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3zs0RCSB PDB    PDBbind467aa, >3ZS0_2|Chains... at 100%
3zs1RCSB PDB    PDBbind467aa, >3ZS1_2|Chains... at 100%
5wdjRCSB PDB    PDBbind467aa, >5WDJ_2|Chains... at 99%
5qj3RCSB PDB    PDBbind467aa, >5QJ3_2|Chains... at 99%
5qj2RCSB PDB    PDBbind105aa, >5QJ2_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4c1m
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameneutrophil enzyme myeloperoxidase (MPO)
Ligand NameNIH
EC.Number E.C.1.11.2.2
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=15.8nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Biol.Chem. Vol. 288: pp. 36636
Ligand Properties
Formula C14H11F6N4O3
Molecular Weight 397.253
Exact Mass 397.074
No. of atoms 38
No. of bonds 39
Polar Surface Area 108.36
LOGP Value 2.08      (Computed with XLOGP3)
2.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): P05164  
Entrez Gene IDNCBI Entrez Gene ID: 4353  
ASDInformation of known allosteric effects of PDB entries

 
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