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Related entries of code: 1oxr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mf4RCSB PDB    PDBbind119aa, >1MF4_1|Chain... *
1t37RCSB PDB    PDBbind119aa, >1T37_1|Chain... at 99%
1td7RCSB PDB    PDBbind119aa, >1TD7_1|Chain... at 98%
1zm6RCSB PDB    PDBbind119aa, >1ZM6_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1oxr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namephospholipase a2 isoform 3
Ligand NameAIN
EC.Number E.C.3.1.1.4
Resolution 1.93(Å)
Affinity (Kd/Ki/IC50)Kd=6.4uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Drug Target. v13 pp. 113-9, 2005
Ligand Properties
Formula C9H8O4
Molecular Weight 180.157
Exact Mass 180.042
No. of atoms 21
No. of bonds 21
Polar Surface Area 63.6
LOGP Value 2.28      (Computed with XLOGP3)
1.31      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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): P60045  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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