Browse entries in the PDBbind-CN Database

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Related entries of code: 6keb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5klsRCSB PDB    PDBbind285aa, >5KLS_1|Chains... *
5kmfRCSB PDB    PDBbind285aa, >5KMF_1|Chains... at 99%
5kmhRCSB PDB    PDBbind285aa, >5KMH_1|Chains... at 100%
6mvxRCSB PDB    PDBbind285aa, >6MVX_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6keb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCaVAb
Ligand NameD6C
EC.Number E.C.-.-.-.-
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)IC50=41uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Mol.Pharmacol. Vol. 96: pp. 485-492
Ligand Properties
Formula C22H27N2O4S
Molecular Weight 415.526
Exact Mass 415.169
No. of atoms 56
No. of bonds 58
Polar Surface Area 85.58
LOGP Value 3.06      (Computed with XLOGP3)
2.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
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): A8EVM5  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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