Browse entries in the PDBbind-CN Database

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Related entries of code: 4ca6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2c6nRCSB PDB    PDBbind612aa, >2C6N_1|Chains... at 98%
2xydRCSB PDB    PDBbind610aa, >2XYD_1|Chains... at 99%
3nxqRCSB PDB    PDBbind629aa, >3NXQ_1|Chains... *
4bxkRCSB PDB    PDBbind629aa, >4BXK_1|Chains... at 100%
4bzsRCSB PDB    PDBbind629aa, >4BZS_1|Chains... at 98%
6en5RCSB PDB    PDBbind629aa, >6EN5_1|Chains... at 100%
6en6RCSB PDB    PDBbind629aa, >6EN6_1|Chains... at 100%
6f9rRCSB PDB    PDBbind629aa, >6F9R_1|Chains... at 99%
6f9vRCSB PDB    PDBbind629aa, >6F9V_1|Chains... at 99%
6h5xRCSB PDB    PDBbind629aa, >6H5X_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4ca5RCSB PDB    PDBbind3EF
4ca7RCSB PDB    PDBbind3EF
Entry Information
PDB ID4ca6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameANGIOTENSIN-CONVERTING ENZYME N-DOMAIN
Ligand Name3EF
EC.Number E.C.3.2.1; 3.4.15.1
Resolution 1.91(Å)
Affinity (Kd/Ki/IC50)Ki=180nM
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): P12821  
Entrez Gene IDNCBI Entrez Gene ID: 1636  
ASDInformation of known allosteric effects of PDB entries
 
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