Browse entries in the PDBbind-CN Database

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Related entries of code: 3a4o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2zv9RCSB PDB    PDBbind279aa, >2ZV9_1|Chain... at 96%
2zvaRCSB PDB    PDBbind279aa, >2ZVA_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1aq1RCSB PDB    PDBbindSTU
1nvrRCSB PDB    PDBbindSTU
1okyRCSB PDB    PDBbindSTU
1q3dRCSB PDB    PDBbindSTU
1sm2RCSB PDB    PDBbindSTU
1stcRCSB PDB    PDBbindSTU
1u59RCSB PDB    PDBbindSTU
1xbcRCSB PDB    PDBbindSTU
1xjdRCSB PDB    PDBbindSTU
1yhsRCSB PDB    PDBbindSTU
2dq7RCSB PDB    PDBbindSTU
2gcdRCSB PDB    PDBbindSTU
2oicRCSB PDB    PDBbindSTU
2z7rRCSB PDB    PDBbindSTU
3hmoRCSB PDB    PDBbindSTU
4erwRCSB PDB    PDBbindSTU
4qmyRCSB PDB    PDBbindSTU
4yzcRCSB PDB    PDBbindSTU
5e8wRCSB PDB    PDBbindSTU
5kq5RCSB PDB    PDBbindSTU
5lohRCSB PDB    PDBbindSTU
Entry Information
PDB ID3a4o
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase Lyn
Ligand NameSTU
EC.Number E.C.2.7.10.2
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50=1.3nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 6557-6560
Ligand Properties
Formula C28H27N4O3
Molecular Weight 467.539
Exact Mass 467.208
No. of atoms 62
No. of bonds 69
Polar Surface Area 74.03
LOGP Value 3.24      (Computed with XLOGP3)
3.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 8
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): P07948  
Entrez Gene IDNCBI Entrez Gene ID: 4067  
ASDInformation of known allosteric effects of PDB entries
 
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