Browse entries in the PDBbind-CN Database

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Related entries of code: 2r5a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2r58RCSB PDB    PDBbind265aa, >2R58_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1p0yRCSB PDB    PDBbindMLZ
2vytRCSB PDB    PDBbindMLZ
3f70RCSB PDB    PDBbindMLZ
Entry Information
PDB ID2r5a
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePolycomb protein Scm
Ligand NameMLZ
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=2.5mM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Embo Rep. 8: 1031-1037
Ligand Properties
Formula C7H18N2O2
Molecular Weight 162.230
Exact Mass 162.137
No. of atoms 29
No. of bonds 28
Polar Surface Area 81.55
LOGP Value -1.84      (Computed with XLOGP3)
-1.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 0
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): Q9VHA0  
Entrez Gene IDNCBI Entrez Gene ID: 41168  
ASDInformation of known allosteric effects of PDB entries
 
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