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Related entries of code: 6nfz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6cqfRCSB PDB    PDBbind297aa, >6CQF_1|Chain... at 97%
6ng0RCSB PDB    PDBbind309aa, >6NG0_1|Chains... at 99%
6nfyRCSB PDB    PDBbind300aa, >6NFY_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3g0eRCSB PDB    PDBbindB49
3g0fRCSB PDB    PDBbindB49
3miyRCSB PDB    PDBbindB49
3ti1RCSB PDB    PDBbindB49
4agdRCSB PDB    PDBbindB49
4qmzRCSB PDB    PDBbindB49
6ng0RCSB PDB    PDBbindB49
6nfyRCSB PDB    PDBbindB49
Entry Information
PDB ID6nfz
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHPK1 kinase domain
Ligand NameB49
EC.Number E.C.2.7.11.1
Resolution 2.97(Å)
Affinity (Kd/Ki/IC50)Kd=16nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Biol.Chem. Vol. 294: pp. 9029-9036
Ligand Properties
Formula C22H28FN4O2
Molecular Weight 399.482
Exact Mass 399.220
No. of atoms 57
No. of bonds 59
Polar Surface Area 78.43
LOGP Value 2.63      (Computed with XLOGP3)
2.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
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): Q92918  
Entrez Gene IDNCBI Entrez Gene ID: 11184  
ASDInformation of known allosteric effects of PDB entries
 
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