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Related entries of code: 3uxl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mdlRCSB PDB    PDBbind359aa, >1MDL_1|Chain... at 99%
1mnsRCSB PDB    PDBbind357aa, >1MNS_1|Chain... at 100%
3uxkRCSB PDB    PDBbind383aa, >3UXK_1|Chains... *
4fp1RCSB PDB    PDBbind383aa, >4FP1_1|Chains... at 100%
4hncRCSB PDB    PDBbind383aa, >4HNC_1|Chains... at 99%
4m6uRCSB PDB    PDBbind383aa, >4M6U_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3uxl
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMandelate racemase
Ligand NameCFI
EC.Number E.C.5.1.2.2
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=2.7uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 1160-1170
Ligand Properties
Formula C6H5N2O2
Molecular Weight 137.116
Exact Mass 137.035
No. of atoms 15
No. of bonds 15
Polar Surface Area 58.86
LOGP Value 1.01      (Computed with XLOGP3)
2.30      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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): P11444  
Entrez Gene IDNCBI Entrez Gene ID: 45526288  
ASDInformation of known allosteric effects of PDB entries

 
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