Browse entries in the PDBbind-CN Database

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Related entries of code: 4or0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4po0RCSB PDB    PDBbindNPS

Entry Information
PDB ID4or0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerum albumin BSA
Ligand NameNPS
EC.Number E.C.-.-.-.-
Resolution 2.58(Å)
Affinity (Kd/Ki/IC50)Kd=35nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Proteins Vol. 82: pp. 2199-2208
Ligand Properties
Formula C14H14O3
Molecular Weight 230.259
Exact Mass 230.094
No. of atoms 31
No. of bonds 32
Polar Surface Area 46.53
LOGP Value 4.38      (Computed with XLOGP3)
3.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
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): P02769  
Entrez Gene IDNCBI Entrez Gene ID: 280717  
ASDInformation of known allosteric effects of PDB entries

 
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