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Related entries of code: 5xvg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2x4zRCSB PDB    PDBbind296aa, >2X4Z_1|Chain... at 98%
4appRCSB PDB    PDBbind296aa, >4APP_1|Chain... at 98%
4njdRCSB PDB    PDBbind296aa, >4NJD_1|Chain... at 98%
4o0vRCSB PDB    PDBbind293aa, >4O0V_1|Chain... at 99%
4o0xRCSB PDB    PDBbind293aa, >4O0X_1|Chain... at 99%
4o0yRCSB PDB    PDBbind293aa, >4O0Y_1|Chain... at 99%
5bmsRCSB PDB    PDBbind293aa, >5BMS_1|Chain... at 99%
5i0bRCSB PDB    PDBbind296aa, >5I0B_1|Chain... at 98%
5veeRCSB PDB    PDBbind319aa, >5VEE_1|Chain... at 100%
5xvaRCSB PDB    PDBbind293aa, >5XVA_1|Chain... at 99%
5xvfRCSB PDB    PDBbind290aa, >5XVF_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5xvg
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namep21-activated kinases-4
Ligand Name8FX
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=0.009uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 265-285
Ligand Properties
Formula C20H25ClN7O
Molecular Weight 414.912
Exact Mass 414.181
No. of atoms 54
No. of bonds 57
Polar Surface Area 103.41
LOGP Value 3.40      (Computed with XLOGP3)
3.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): O96013  
Entrez Gene IDNCBI Entrez Gene ID: 10298  
ASDInformation of known allosteric effects of PDB entries

 
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