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Related entries of code: 6f9v
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%
6f9rRCSB PDB    PDBbind629aa, >6F9R_1|Chains... at 99%
6h5xRCSB PDB    PDBbind629aa, >6H5X_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6f9tRCSB PDB    PDBbindD0Z

Entry Information
PDB ID6f9v
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamenACE(Angiotensin-1-converting enzyme)
Ligand NameD0Z
EC.Number E.C.-.-.-.-
Resolution 1.69(Å)
Affinity (Kd/Ki/IC50)Ki=171.9nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) FEBS J. Vol. 285: pp. 1477-1490
Ligand Properties
Formula C26H41N4O9S
Molecular Weight 585.690
Exact Mass 585.259
No. of atoms 81
No. of bonds 82
Polar Surface Area 235.22
LOGP Value 0.44      (Computed with XLOGP3)
1.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 18
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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