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Structure of PDB 1egh Chain B Binding Site BS01

Receptor Information >1egh Chain B (length=151) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MELTTRTLPARKHIALVAHDHCKQMLMSWVERHQPLLEQHVLYATGTTGN LISRATGMNVNAMLSGPMGGDQQVGALISEGKIDVLIFFWDPLNAVPHDP DVKALLRLATVWNIPVATNVATADFIIQSPHFNDAVDILIPDYQRYLADR L

Ligand information Ligand ID PGA InChI InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7) InChIKey ASCFNMCAHFUBCO-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 OC(=O)CO[P](O)(O)=O OpenEye OEToolkits 1.5.0 C(C(=O)O)OP(=O)(O)O ACDLabs 10.04 O=P(O)(O)OCC(=O)O Formula C2 H5 O6 P Name 2-PHOSPHOGLYCOLIC ACID ChEMBL CHEMBL47181 DrugBank DB02726 ZINC ZINC000003869735 PDB chain 1egh Chain B Residue 211 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1egh Mirroring perfection: the structure of methylglyoxal synthase complexed with the competitive inhibitor 2-phosphoglycolate. Resolution 2.0 Å Binding residue (original residue number in PDB) V17 K23 T45 T47 T48 S65 G66 D71 H98 Binding residue (residue number reindexed from 1) V17 K23 T45 T47 T48 S65 G66 D71 H98 Annotation score 2 Binding affinity MOAD: Ki=2uM

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

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