Browse entries in the PDBbind-CN Database

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Related entries of code: 6h5w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1o86RCSB PDB    PDBbind589aa, >1O86_1|Chain... at 100%
1uzeRCSB PDB    PDBbind589aa, >1UZE_1|Chain... at 100%
2oc2RCSB PDB    PDBbind591aa, >2OC2_1|Chain... *
2xy9RCSB PDB    PDBbind585aa, >2XY9_1|Chain... at 99%
2ydmRCSB PDB    PDBbind589aa, >2YDM_1|Chain... at 99%
3bkkRCSB PDB    PDBbind591aa, >3BKK_1|Chain... at 99%
3bklRCSB PDB    PDBbind591aa, >3BKL_1|Chain... at 99%
3l3nRCSB PDB    PDBbind591aa, >3L3N_1|Chain... at 99%
4aphRCSB PDB    PDBbind589aa, >4APH_1|Chain... at 100%
4bzrRCSB PDB    PDBbind589aa, >4BZR_1|Chain... at 100%
4ca5RCSB PDB    PDBbind589aa, >4CA5_1|Chain... at 100%
6f9tRCSB PDB    PDBbind591aa, >6F9T_1|Chain... at 99%
6f9uRCSB PDB    PDBbind591aa, >6F9U_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6h5xRCSB PDB    PDBbindFT8
Entry Information
PDB ID6h5w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamecACE
Ligand NameFT8
EC.Number E.C.-.-.-.-
Resolution 1.37(Å)
Affinity (Kd/Ki/IC50)Ki=0.016nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 10141-10154
Ligand Properties
Formula C19H24N2O4S2
Molecular Weight 408.535
Exact Mass 408.118
No. of atoms 51
No. of bonds 53
Polar Surface Area 150.81
LOGP Value 3.72      (Computed with XLOGP3)
2.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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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