Browse entries in the PDBbind-CN Database

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Related entries of code: 6f9r
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%
4ca6RCSB PDB    PDBbind610aa, >4CA6_1|Chains... at 99%
6en5RCSB PDB    PDBbind629aa, >6EN5_1|Chains... at 100%
6en6RCSB PDB    PDBbind629aa, >6EN6_1|Chains... at 100%
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
6f9uRCSB PDB    PDBbindD0W

Entry Information
PDB ID6f9r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamenACE(Angiotensin-1-converting enzyme)
Ligand NameD0W
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Ki=10.6uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) FEBS J. Vol. 285: pp. 1477-1490
Ligand Properties
Formula C25H33N3O10
Molecular Weight 535.544
Exact Mass 535.217
No. of atoms 71
No. of bonds 72
Polar Surface Area 219.43
LOGP Value 3.74      (Computed with XLOGP3)
1.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 2
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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