Browse entries in the PDBbind-CN Database

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Related entries of code: 6jay
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6jaxRCSB PDB    PDBbind389aa, >6JAX_1|Chain... at 100%
6jawRCSB PDB    PDBbind389aa, >6JAW_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 ID6jay
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameOfChtII-C1
Ligand NameJUK
EC.Number E.C.-.-.-.-
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Ki=1.99uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Biol.Chem. Vol. 294: pp. 9358-9364
Ligand Properties
Formula C23H22N4O4
Molecular Weight 418.445
Exact Mass 418.164
No. of atoms 53
No. of bonds 57
Polar Surface Area 111.86
LOGP Value 2.12      (Computed with XLOGP3)
3.49      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
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): A0A221ZS22  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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