Browse entries in the PDBbind-CN Database

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Related entries of code: 2xyn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3gvuRCSB PDB    PDBbind292aa, >3GVU_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2f4jRCSB PDB    PDBbindVX6
3ambRCSB PDB    PDBbindVX6
3e5aRCSB PDB    PDBbindVX6
4af3RCSB PDB    PDBbindVX6

Entry Information
PDB ID2xyn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman TYROSINE-PROTEIN KINASE ABL2
Ligand NameVX6
EC.Number E.C.2.7.10.2
Resolution 2.81(Å)
Affinity (Kd/Ki/IC50)Kd=4nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Nat. Biotechnol., Vol.29, pp.1046-1051
Ligand Properties
Formula C23H29N8OS
Molecular Weight 465.594
Exact Mass 465.219
No. of atoms 62
No. of bonds 66
Polar Surface Area 128.57
LOGP Value 3.41      (Computed with XLOGP3)
3.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
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): P42684  
Entrez Gene IDNCBI Entrez Gene ID: 27  
ASDInformation of known allosteric effects of PDB entries

 
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