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Related entries of code: 3mwe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6o0hRCSB PDB    PDBbind1116aa, >6O0H_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1d5rRCSB PDB    PDBbindTLA
3dc2RCSB PDB    PDBbindTLA
5cdhRCSB PDB    PDBbindTLA

Entry Information
PDB ID3mwe
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameATP-citrate synthase
Ligand NameTLA
EC.Number E.C.2.3.3.8
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=29mM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Biol.Chem. Vol. 285: pp. 27418-27428
Ligand Properties
Formula C4H6O6
Molecular Weight 150.087
Exact Mass 150.016
No. of atoms 16
No. of bonds 15
Polar Surface Area 115.06
LOGP Value -0.12      (Computed with XLOGP3)
-2.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
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): P53396  
Entrez Gene IDNCBI Entrez Gene ID: 47  
ASDInformation of known allosteric effects of PDB entries

 
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