Browse entries in the PDBbind-CN Database

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Related entries of code: 6jaw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6jayRCSB PDB    PDBbind389aa, >6JAY_1|Chain... at 100%
6jaxRCSB PDB    PDBbind389aa, >6JAX_1|Chain... at 100%
6javRCSB PDB    PDBbind389aa, >6JAV_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6jaw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameOfChtII-C1
Ligand NameBBO
EC.Number E.C.-.-.-.-
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)Ki=2.18uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Biol.Chem. Vol. 294: pp. 9358-9364
Ligand Properties
Formula C19H26N2O3
Molecular Weight 330.421
Exact Mass 330.194
No. of atoms 50
No. of bonds 53
Polar Surface Area 58.57
LOGP Value 1.50      (Computed with XLOGP3)
2.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
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): A0A221ZS22  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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