Browse entries in the PDBbind-CN Database

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Related entries of code: 3uxd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1lbfRCSB PDB    PDBbind247aa, >1LBF_1|Chain... at 92%
3uz5RCSB PDB    PDBbind252aa, >3UZ5_1|Chains... at 90%
3uzjRCSB PDB    PDBbind252aa, >3UZJ_1|Chains... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3uz5RCSB PDB    PDBbind0CU

Entry Information
PDB ID3uxd
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameKemp eliminase KE59 variant R1 7/10H
Ligand Name0CU
EC.Number E.C.4
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=39.3uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Proc.Natl.Acad.Sci.USA Vol. 109: pp. 10358-10363
Ligand Properties
Formula C6H3Cl2N3
Molecular Weight 188.014
Exact Mass 186.970
No. of atoms 14
No. of bonds 15
Polar Surface Area 41.57
LOGP Value 2.35      (Computed with XLOGP3)
2.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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