Browse entries in the PDBbind-CN Database

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Related entries of code: 5vd2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1x8bRCSB PDB    PDBbind289aa, >1X8B_1|Chain... *
2in6RCSB PDB    PDBbind287aa, >2IN6_1|Chain... at 99%
2io6RCSB PDB    PDBbind287aa, >2IO6_1|Chain... at 99%
3bi6RCSB PDB    PDBbind287aa, >3BI6_1|Chain... at 99%
3bizRCSB PDB    PDBbind287aa, >3BIZ_1|Chain... at 99%
5v5yRCSB PDB    PDBbind289aa, >5V5Y_1|Chain... at 99%
5vc3RCSB PDB    PDBbind289aa, >5VC3_1|Chain... at 99%
5vc4RCSB PDB    PDBbind289aa, >5VC4_1|Chain... at 99%
5vc5RCSB PDB    PDBbind289aa, >5VC5_1|Chain... at 99%
5vc6RCSB PDB    PDBbind289aa, >5VC6_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4qmvRCSB PDB    PDBbind34W
6qasRCSB PDB    PDBbind34W
Entry Information
PDB ID5vd2
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameWee1-like protein kinase
Ligand Name34W
EC.Number E.C.-.-.-.-
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Kd=78.7nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 7863-7875
Ligand Properties
Formula C23H25F3N6O2
Molecular Weight 474.479
Exact Mass 474.199
No. of atoms 59
No. of bonds 63
Polar Surface Area 99.25
LOGP Value 2.96      (Computed with XLOGP3)
4.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
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): P30291  
Entrez Gene IDNCBI Entrez Gene ID: 7465  
ASDInformation of known allosteric effects of PDB entries
 
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