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Related entries of code: 5u94
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2fumRCSB PDB    PDBbind299aa, >2FUM_1|Chains... at 93%
3f69RCSB PDB    PDBbind311aa, >3F69_1|Chains... *
6b2pRCSB PDB    PDBbind279aa, >6B2P_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3d0eRCSB PDB    PDBbindG93
Entry Information
PDB ID5u94
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase PknB
Ligand NameG93
EC.Number E.C.2.7.11.1
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=64nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Mol. Pharm. Vol. 15: pp. 5410-5426
Ligand Properties
Formula C21H28N7O3
Molecular Weight 426.492
Exact Mass 426.225
No. of atoms 59
No. of bonds 62
Polar Surface Area 141.72
LOGP Value 0.27      (Computed with XLOGP3)
2.71      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
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): P9WI81  
Entrez Gene IDNCBI Entrez Gene ID: 45423973  887072  
ASDInformation of known allosteric effects of PDB entries
 
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