Browse entries in the PDBbind-CN Database

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Related entries of code: 3bkk
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%
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%
6h5wRCSB PDB    PDBbind591aa, >6H5W_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3bkk
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NametACE-G13
Ligand NameKAF
EC.Number E.C.
Resolution 2.17(Å)
Affinity (Kd/Ki/IC50)Ki=0.83uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Biochemistry Vol. 47: pp. 5942-5950
Ligand Properties
Formula C28H30N2O6
Molecular Weight 490.548
Exact Mass 490.210
No. of atoms 66
No. of bonds 68
Polar Surface Area 135.96
LOGP Value 3.91      (Computed with XLOGP3)
3.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 8
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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