Browse entries in the PDBbind-CN Database

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Related entries of code: 6kla
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1t46RCSB PDB    PDBbind313aa, >1T46_1|Chain... at 100%
3g0eRCSB PDB    PDBbind336aa, >3G0E_1|Chain... *
3g0fRCSB PDB    PDBbind336aa, >3G0F_1|Chains... at 99%
4hvsRCSB PDB    PDBbind335aa, >4HVS_1|Chain... at 92%
4u0iRCSB PDB    PDBbind315aa, >4U0I_1|Chain... at 100%
6gqmRCSB PDB    PDBbind328aa, >6GQM_1|Chains... at 90%
6mobRCSB PDB    PDBbind312aa, >6MOB_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6kla
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namec-KIT
Ligand NameDJX
EC.Number E.C.-.-.-.-
Resolution 2.11(Å)
Affinity (Kd/Ki/IC50)IC50=56nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 11135-11150
Ligand Properties
Formula C19H23N7S
Molecular Weight 381.498
Exact Mass 381.174
No. of atoms 50
No. of bonds 53
Polar Surface Area 98.31
LOGP Value 3.07      (Computed with XLOGP3)
3.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): P10721  
Entrez Gene IDNCBI Entrez Gene ID: 3815  
ASDInformation of known allosteric effects of PDB entries

 
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