Browse entries in the PDBbind-CN Database

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Related entries of code: 1p57
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1o5eRCSB PDB    PDBbind255aa, >1O5E_2|Chain... at 100%
1o5fRCSB PDB    PDBbind255aa, >1O5F_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1o2sRCSB PDB    PDBbindCR4
Entry Information
PDB ID1p57
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameserine protease hepsin
Ligand NameCR4
EC.Number E.C.3.4.21.0
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=40uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Structure v11 pp. 1123-31, 2003
Ligand Properties
Formula C14H13N4O
Molecular Weight 253.279
Exact Mass 253.109
No. of atoms 32
No. of bonds 34
Polar Surface Area 100.52
LOGP Value 3.58      (Computed with XLOGP3)
1.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): P05981  
Entrez Gene IDNCBI Entrez Gene ID: 3249  
ASDInformation of known allosteric effects of PDB entries
 
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