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Related entries of code: 3gvu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2xynRCSB PDB    PDBbind292aa, >2XYN:C|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1iepRCSB PDB    PDBbindSTI
1t46RCSB PDB    PDBbindSTI
1xbbRCSB PDB    PDBbindSTI
2hyyRCSB PDB    PDBbindSTI
2oiqRCSB PDB    PDBbindSTI
2pl0RCSB PDB    PDBbindSTI
3hecRCSB PDB    PDBbindSTI
4bkjRCSB PDB    PDBbindSTI
5mqtRCSB PDB    PDBbindSTI

Entry Information
PDB ID3gvu
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHuman TYROSINE-PROTEIN KINASE ABL2
Ligand NameSTI
EC.Number E.C.2.7.10.2
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Kd=10nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference(2011) Nat. Biotechnol., Vol.29, pp.1046-1051
Ligand Properties
Formula C29H33N7O
Molecular Weight 495.619
Exact Mass 495.275
No. of atoms 70
No. of bonds 74
Polar Surface Area 88.68
LOGP Value 3.52      (Computed with XLOGP3)
5.04      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 4
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): P42684  
Entrez Gene IDNCBI Entrez Gene ID: 27  
ASDInformation of known allosteric effects of PDB entries

 
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