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Related entries of code: 1f57
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%
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%
3fvlRCSB PDB    PDBbind307aa, >3FVL_1|Chains... at 99%
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 ID1f57
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namecarboxypeptidase a
Ligand NameDCY
EC.Number E.C.3.4.17.1
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=2.3uM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v39 pp. 10082-9, 2000
Ligand Properties
Formula C3H8NO2S
Molecular Weight 122.166
Exact Mass 122.028
No. of atoms 15
No. of bonds 14
Polar Surface Area 103.74
LOGP Value -2.19      (Computed with XLOGP3)
-1.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
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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