Browse entries in the PDBbind-CN Database

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Related entries of code: 4pid
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1avpRCSB PDB    PDBbind11aa, >1AVP_2|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6fdqRCSB PDB    PDBbind2UQ

Entry Information
PDB ID4pid
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProtease AVP2
Ligand Name2UQ
EC.Number E.C.3.4.22.39
Resolution 1.59(Å)
Affinity (Kd/Ki/IC50)IC50=24uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Acs Med.Chem.Lett. Vol. 5: pp. 937-941
Ligand Properties
Formula C13H12N4O
Molecular Weight 240.261
Exact Mass 240.101
No. of atoms 30
No. of bonds 31
Polar Surface Area 78.73
LOGP Value 0.86      (Computed with XLOGP3)
1.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): P03252  P03274  
Entrez Gene IDNCBI Entrez Gene ID: 2652998  2652998  
ASDInformation of known allosteric effects of PDB entries

 
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