Browse entries in the PDBbind-CN Database

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Related entries of code: 6bef
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6bebRCSB PDB    PDBbind576aa, >6BEB_1|Chains... *
6becRCSB PDB    PDBbind576aa, >6BEC_1|Chains... at 99%
6bedRCSB PDB    PDBbind553aa, >6BED_1|Chains... at 99%
6beeRCSB PDB    PDBbind553aa, >6BEE_1|Chains... at 99%
6behRCSB PDB    PDBbind553aa, >6BEH_1|Chains... 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 ID6bef
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameScaffold protein D13
Ligand Name3YI
EC.Number E.C.-.-.-.-
Resolution 3.21(Å)
Affinity (Kd/Ki/IC50)Kd=104uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Proc. Natl. Acad. Sci. U.S.A. Vol. 115: pp. 8424-8429
Ligand Properties
Formula C38H49NO13
Molecular Weight 727.795
Exact Mass 727.320
No. of atoms 101
No. of bonds 104
Polar Surface Area 218.38
LOGP Value 4.82      (Computed with XLOGP3)
4.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 4
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): P68440  
Entrez Gene IDNCBI Entrez Gene ID: 3707516  
ASDInformation of known allosteric effects of PDB entries
 
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