Browse entries in the PDBbind-CN Database

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Related entries of code: 3fr5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1adlRCSB PDB    PDBbind131aa, >1ADL_1|Chain... at 100%
1g74RCSB PDB    PDBbind131aa, >1G74_1|Chain... at 97%
1touRCSB PDB    PDBbind131aa, >1TOU_1|Chain... at 91%
1towRCSB PDB    PDBbind131aa, >1TOW_1|Chain... at 91%
2ansRCSB PDB    PDBbind131aa, >2ANS_1|Chains... at 100%
2nnqRCSB PDB    PDBbind131aa, >2NNQ_1|Chain... at 91%
2qm9RCSB PDB    PDBbind155aa, >2QM9_1|Chains... *
3fr2RCSB PDB    PDBbind131aa, >3FR2_1|Chain... at 91%
3fr4RCSB PDB    PDBbind132aa, >3FR4_1|Chain... at 91%
3hk1RCSB PDB    PDBbind131aa, >3HK1_1|Chain... at 100%
5c0nRCSB PDB    PDBbind132aa, >5C0N_1|Chains... at 100%
5d8jRCSB PDB    PDBbind134aa, >5D8J_1|Chain... at 98%
5edbRCSB PDB    PDBbind134aa, >5EDB_1|Chain... at 90%
5edcRCSB PDB    PDBbind133aa, >5EDC_1|Chain... at 90%
5hz6RCSB PDB    PDBbind131aa, >5HZ6_1|Chain... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3fr5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFatty acid-binding protein( A-FABP)
Ligand NameI4A
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.45uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 1745-1748
Ligand Properties
Formula C22H22N2O3
Molecular Weight 362.422
Exact Mass 362.163
No. of atoms 49
No. of bonds 52
Polar Surface Area 85.32
LOGP Value 4.85      (Computed with XLOGP3)
4.46      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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): P15090  
Entrez Gene IDNCBI Entrez Gene ID: 2167  
ASDInformation of known allosteric effects of PDB entries
 
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