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Related entries of code: 3fvl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1cbxRCSB PDB    PDBbind307aa, >1CBX_1|Chain... at 98%
1cpsRCSB PDB    PDBbind307aa, >1CPS_1|Chain... at 98%
1f57RCSB PDB    PDBbind307aa, >1F57_1|Chain... at 100%
1hdqRCSB PDB    PDBbind307aa, >1HDQ_1|Chain... at 99%
1heeRCSB PDB    PDBbind307aa, >1HEE_1|Chains... at 97%
1iy7RCSB PDB    PDBbind307aa, >1IY7_1|Chain... at 97%
2ctcRCSB PDB    PDBbind307aa, >2CTC_1|Chain... at 99%
2rfhRCSB PDB    PDBbind307aa, >2RFH_1|Chain... at 100%
3fx6RCSB PDB    PDBbind307aa, >3FX6_1|Chains... at 99%
3kgqRCSB PDB    PDBbind309aa, >3KGQ_1|Chain... at 99%
6cpaRCSB PDB    PDBbind307aa, >6CPA_1|Chain... at 97%
7cpaRCSB PDB    PDBbind307aa, >7CPA_1|Chain... at 97%
8cpaRCSB PDB    PDBbind307aa, >8CPA_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3fvl
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarboxypeptidase A
Ligand NameBHK
EC.Number E.C.3.4.17.1
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Ki=0.86uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) CHIN.CHEM.LETT. Vol. 21: pp. 159-162
Ligand Properties
Formula C12H14O4
Molecular Weight 222.237
Exact Mass 222.089
No. of atoms 30
No. of bonds 30
Polar Surface Area 74.6
LOGP Value 1.92      (Computed with XLOGP3)
0.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
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): P00730  
Entrez Gene IDNCBI Entrez Gene ID: 286762  
ASDInformation of known allosteric effects of PDB entries
 
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