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Related entries of code: 3rz3
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3rz3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameUbiquitin-conjugating enzyme E2 R1, Human Cdc34 E2
Ligand NameU94
EC.Number E.C.6.3.2.19
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=1.72uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Cell(Cambridge,Mass.) Vol. 145: pp. 1075-1087
Ligand Properties
Formula C20H21Cl2NO6
Molecular Weight 442.290
Exact Mass 441.075
No. of atoms 50
No. of bonds 51
Polar Surface Area 116.09
LOGP Value 3.54      (Computed with XLOGP3)
2.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 7
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): P49427  
Entrez Gene IDNCBI Entrez Gene ID: 997  
ASDInformation of known allosteric effects of PDB entries
 
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