Browse entries in the PDBbind-CN Database

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Related entries of code: 3vs3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2c0oRCSB PDB    PDBbind454aa, >2C0O_1|Chains... *
2hk5RCSB PDB    PDBbind270aa, >2HK5_1|Chain... at 99%
3vryRCSB PDB    PDBbind454aa, >3VRY_1|Chains... at 100%
5h09RCSB PDB    PDBbind454aa, >5H09_1|Chain... at 100%
5h0bRCSB PDB    PDBbind454aa, >5H0B_1|Chain... at 100%
5h0eRCSB PDB    PDBbind454aa, >5H0E_1|Chain... at 100%
5h0gRCSB PDB    PDBbind454aa, >5H0G_1|Chain... at 100%
5h0hRCSB PDB    PDBbind454aa, >5H0H_1|Chain... 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 ID3vs3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase HCK
Ligand NameVSE
EC.Number E.C.2.7.10.2
Resolution 2.17(Å)
Affinity (Kd/Ki/IC50)IC50=0.43nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Sci Transl Med Vol. 5: pp. 181ra52-181ra52
Ligand Properties
Formula C29H36N6O
Molecular Weight 484.636
Exact Mass 484.295
No. of atoms 72
No. of bonds 77
Polar Surface Area 74.84
LOGP Value 4.51      (Computed with XLOGP3)
6.09      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
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): P08631  
Entrez Gene IDNCBI Entrez Gene ID: 3055  
ASDInformation of known allosteric effects of PDB entries

 
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