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Related entries of code: 3mi3
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
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2pvuRCSB PDB    PDBbindLYS
3a9iRCSB PDB    PDBbindLYS
3lp4RCSB PDB    PDBbindLYS
4hnnRCSB PDB    PDBbindLYS

Entry Information
PDB ID3mi3
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHomocitrate synthase, mitochondrial,HCS
Ligand NameLYS
EC.Number E.C.
Resolution 2.38(Å)
Affinity (Kd/Ki/IC50)Ki=3.56uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Biol.Chem. Vol. 285: pp. 10446-10453
Ligand Properties
Formula C6H16N2O2
Molecular Weight 148.203
Exact Mass 148.121
No. of atoms 26
No. of bonds 25
Polar Surface Area 92.58
LOGP Value -2.35      (Computed with XLOGP3)
-1.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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): Q9Y823  
Entrez Gene IDNCBI Entrez Gene ID: 2539815  
ASDInformation of known allosteric effects of PDB entries

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