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Related entries of code: 2rqu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1dvaRCSB PDB    PDBbind19-mer
1idgRCSB PDB    PDBbind19-mer
1ilqRCSB PDB    PDBbind19-mer
1iwqRCSB PDB    PDBbind19-mer
1katRCSB PDB    PDBbind19-mer
1lxhRCSB PDB    PDBbind19-mer
1oqpRCSB PDB    PDBbind19-mer
2asuRCSB PDB    PDBbind19-mer
2jqkRCSB PDB    PDBbind19-mer
2k7lRCSB PDB    PDBbind19-mer
2kupRCSB PDB    PDBbind19-mer
2lloRCSB PDB    PDBbind19-mer
2llqRCSB PDB    PDBbind19-mer
2nd0RCSB PDB    PDBbind19-mer
2pl9RCSB PDB    PDBbind19-mer
2yq6RCSB PDB    PDBbind19-mer
3bimRCSB PDB    PDBbind19-mer
3bl2RCSB PDB    PDBbind19-mer
3bu8RCSB PDB    PDBbind19-mer
3eu7RCSB PDB    PDBbind19-mer
3h52RCSB PDB    PDBbind19-mer
3pluRCSB PDB    PDBbind19-mer
3q6sRCSB PDB    PDBbind19-mer
3qnjRCSB PDB    PDBbind19-mer
3tiwRCSB PDB    PDBbind19-mer
3tzdRCSB PDB    PDBbind19-mer
3uvuRCSB PDB    PDBbind19-mer
3v2oRCSB PDB    PDBbind19-mer
3v7dRCSB PDB    PDBbind19-mer
3zhaRCSB PDB    PDBbind19-mer
4a1wRCSB PDB    PDBbind19-mer
4bpiRCSB PDB    PDBbind19-mer
4bpjRCSB PDB    PDBbind19-mer
4hpyRCSB PDB    PDBbind19-mer
4j24RCSB PDB    PDBbind19-mer
4mzjRCSB PDB    PDBbind19-mer
4mzkRCSB PDB    PDBbind19-mer
4oykRCSB PDB    PDBbind19-mer
4qxtRCSB PDB    PDBbind19-mer
4qy8RCSB PDB    PDBbind19-mer
4tknRCSB PDB    PDBbind19-mer
4xekRCSB PDB    PDBbind19-mer
4xgzRCSB PDB    PDBbind19-mer
4z8mRCSB PDB    PDBbind19-mer
5bjtRCSB PDB    PDBbind19-mer
5ekgRCSB PDB    PDBbind19-mer
5f67RCSB PDB    PDBbind19-mer
5gmiRCSB PDB    PDBbind19-mer
5gmjRCSB PDB    PDBbind19-mer
5gowRCSB PDB    PDBbind19-mer
5jeoRCSB PDB    PDBbind19-mer
5jerRCSB PDB    PDBbind19-mer
5k6sRCSB PDB    PDBbind19-mer
5mavRCSB PDB    PDBbind19-mer
5nxqRCSB PDB    PDBbind19-mer
5uw5RCSB PDB    PDBbind19-mer
5uwpRCSB PDB    PDBbind19-mer
5v2pRCSB PDB    PDBbind19-mer
5v2qRCSB PDB    PDBbind19-mer
5ybeRCSB PDB    PDBbind19-mer
6bvbRCSB PDB    PDBbind19-mer
6fkqRCSB PDB    PDBbind19-mer
6milRCSB PDB    PDBbind19-mer
6r8iRCSB PDB    PDBbind19-mer
6oieRCSB PDB    PDBbind19-mer
6h8cRCSB PDB    PDBbind19-mer
5v5oRCSB PDB    PDBbind19-mer
5j7jRCSB PDB    PDBbind19-mer
Entry Information
PDB ID2rqu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDDEF1 SH3 domain
Ligand Name19-mer
EC.Number E.C.-.-.-.-
Resolution NMR
Affinity (Kd/Ki/IC50)Kd=23.6uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochemistry Vol. 49: pp. 5143-5153
Ligand Properties
Formula C87H163N27O25S2
Molecular Weight 2051.520
Exact Mass 2050.180
No. of atoms 304
No. of bonds 305
Polar Surface Area 935.84
LOGP Value -7.83      (Computed with XLOGP3)
-8.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 26
No. of Hydrogen Bond Acceptors: 25
No. of Rotatable Bonds: 92
No. of Nitrogen and Oxygen Atoms: 52
No. of Rings: 2
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): Q9ULH1  P25054  
Entrez Gene IDNCBI Entrez Gene ID: 50807  324  
ASDInformation of known allosteric effects of PDB entries
 
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