Browse entries in the PDBbind-CN Database

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Related entries of code: 2jkp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2jkeRCSB PDB    PDBbind727aa, >2JKE_1|Chains... at 100%
2zq0RCSB PDB    PDBbind738aa, >2ZQ0_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2cbuRCSB PDB    PDBbindCTS
2pwgRCSB PDB    PDBbindCTS
4iifRCSB PDB    PDBbindCTS

Entry Information
PDB ID2jkp
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBtGH97a
Ligand NameCTS
EC.Number E.C.
Resolution 1.99(Å)
Affinity (Kd/Ki/IC50)Ki=59uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Chem.Biol. Vol. 15: pp. 1058-1067
Ligand Properties
Formula C8H16NO4
Molecular Weight 190.217
Exact Mass 190.108
No. of atoms 29
No. of bonds 30
Polar Surface Area 85.36
LOGP Value -2.24      (Computed with XLOGP3)
-2.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): G8JZS4  
Entrez Gene IDNCBI Entrez Gene ID: 60924872  
ASDInformation of known allosteric effects of PDB entries

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