Browse entries in the PDBbind-CN Database

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Related entries of code: 4ca8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1j36RCSB PDB    PDBbind607aa, >1J36_1|Chains... *
1j37RCSB PDB    PDBbind607aa, >1J37_1|Chains... at 100%
2x8zRCSB PDB    PDBbind598aa, >2X8Z_1|Chain... at 98%
2x91RCSB PDB    PDBbind598aa, >2X91_1|Chain... at 98%
2x95RCSB PDB    PDBbind599aa, >2X95_1|Chain... at 98%
2x96RCSB PDB    PDBbind598aa, >2X96_1|Chain... at 98%
2x97RCSB PDB    PDBbind598aa, >2X97_1|Chain... at 98%
2xhmRCSB PDB    PDBbind598aa, >2XHM_1|Chain... at 98%
4aa1RCSB PDB    PDBbind598aa, >4AA1_1|Chain... at 98%
4ca7RCSB PDB    PDBbind598aa, >4CA7_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2xy9RCSB PDB    PDBbind3ES
2xydRCSB PDB    PDBbind3ES
Entry Information
PDB ID4ca8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameANGIOTENSIN-CONVERTING ENZYME
Ligand Name3ES
EC.Number E.C.3.4.15.1
Resolution 1.99(Å)
Affinity (Kd/Ki/IC50)Ki=210nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2014) FEBS J. Vol. 281: pp. 943-956
Ligand Properties
Formula C38H39N3O9P
Molecular Weight 712.705
Exact Mass 712.242
No. of atoms 90
No. of bonds 94
Polar Surface Area 205.04
LOGP Value 5.64      (Computed with XLOGP3)
6.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 5
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): Q10714  
Entrez Gene IDNCBI Entrez Gene ID: 34805  
ASDInformation of known allosteric effects of PDB entries
 
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