Browse entries in the PDBbind-CN Database

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Related entries of code: 3fx6
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%
3fvlRCSB PDB    PDBbind307aa, >3FVL_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 ID3fx6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarboxypeptidase A1
Ligand NameBPX
EC.Number E.C.3.4.17.1
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Ki=0.16uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 5009-5011
Ligand Properties
Formula C12H15NO6
Molecular Weight 269.251
Exact Mass 269.090
No. of atoms 34
No. of bonds 34
Polar Surface Area 123.58
LOGP Value 1.69      (Computed with XLOGP3)
0.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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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