Structure of PDB 1b93 Chain B Binding Site BS01

Receptor Information

>1b93 Chain B (length=151) Species: 562 (Escherichia coli)

MELTTRTLPARKHIALVAHDHCKQMLMSWVERHQPLLEQHVLYATGTTGN
LISRATGMNVNAMLSGPMGGDQQVGALISEGKIDVLIFFWDPLNAVPHDP
DVKALLRLATVWNIPVATNVATADFIIQSPHFNDAVDILIPDYQRYLADR
L

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 1b93 Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1b93 The crystal structure of methylglyoxal synthase from Escherichia coli.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): K23 T45 T47 T48 S65 G66
• Binding residue (residue number reindexed from 1): K23 T45 T47 T48 S65 G66
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H19 G66 D71 D91 H98 D101 R107
• Catalytic site (residue number reindexed from 1): H19 G66 D71 D91 H98 D101 R107
• Enzyme Commision number: 4.2.3.3: methylglyoxal synthase.

Gene Ontology

Molecular Function

• GO:0008929 methylglyoxal synthase activity
• GO:0016829 lyase activity
• GO:0042802 identical protein binding

Biological Process

• GO:0019242 methylglyoxal biosynthetic process
• GO:0034214 protein hexamerization

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:1b93, PDBe:1b93, PDBj:1b93
• PDBsum: 1b93
• PubMed: 10368300
• UniProt: P0A731|MGSA_ECOLI Methylglyoxal synthase (Gene Name=mgsA)