Browse entries in the PDBbind-CN Database

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Related entries of code: 4j8t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4j9aRCSB PDB    PDBbind137aa, >4J9A_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1lkeRCSB PDB    PDBbindDOG
4j9aRCSB PDB    PDBbindDOG

Entry Information
PDB ID4j8t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEngineered Digoxigenin binder protein DIG10.2 (mutation)
Ligand NameDOG
EC.Number E.C.-.-.-.-
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Kd=168nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Nature Vol. 501: pp. 212-216
Ligand Properties
Formula C23H34O5
Molecular Weight 390.513
Exact Mass 390.241
No. of atoms 62
No. of bonds 66
Polar Surface Area 86.99
LOGP Value 2.00      (Computed with XLOGP3)
2.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
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): Q9HYR3  
Entrez Gene IDNCBI Entrez Gene ID: 882497  
ASDInformation of known allosteric effects of PDB entries

 
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