Browse entries in the PDBbind-CN Database

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Related entries of code: 5t8q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4g3eRCSB PDB    PDBbind352aa, >4G3E_1|Chains... *
4g3fRCSB PDB    PDBbind336aa, >4G3F_1|Chain... at 99%
4g3gRCSB PDB    PDBbind350aa, >4G3G_1|Chain... at 95%
5t8oRCSB PDB    PDBbind349aa, >5T8O_1|Chains... at 100%
5t8pRCSB PDB    PDBbind349aa, >5T8P_1|Chains... at 100%
6g4yRCSB PDB    PDBbind349aa, >6G4Y_1|Chains... at 100%
6g4zRCSB PDB    PDBbind349aa, >6G4Z_1|Chains... at 100%
6mynRCSB PDB    PDBbind347aa, >6MYN_1|Chains... 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 ID5t8q
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase kinase kinase 14
Ligand Name76Y
EC.Number E.C.-.-.-.-
Resolution 2.63(Å)
Affinity (Kd/Ki/IC50)Kd=69uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 627-640
Ligand Properties
Formula C12H11ClN2O
Molecular Weight 234.682
Exact Mass 234.056
No. of atoms 27
No. of bonds 28
Polar Surface Area 48.02
LOGP Value 2.09      (Computed with XLOGP3)
2.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): Q9WUL6  
Entrez Gene IDNCBI Entrez Gene ID: 53859  
ASDInformation of known allosteric effects of PDB entries

 
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