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Related entries of code: 4m6u
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... *
3uxlRCSB PDB    PDBbind383aa, >3UXL_1|Chains... at 100%
4fp1RCSB PDB    PDBbind383aa, >4FP1_1|Chains... at 100%
4hncRCSB PDB    PDBbind383aa, >4HNC_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4m6u
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMandelate racemase
Ligand NameTTN
EC.Number E.C.5.1.2.2
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=1.8mM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Biochemistry Vol. 53: pp. 1169-1178
Ligand Properties
Formula C3H4O5
Molecular Weight 120.061
Exact Mass 120.006
No. of atoms 12
No. of bonds 11
Polar Surface Area 94.83
LOGP Value 0.70      (Computed with XLOGP3)
-1.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
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): P11444  
Entrez Gene IDNCBI Entrez Gene ID: 45526288  
ASDInformation of known allosteric effects of PDB entries

 
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