Structure of PDB 4c4r Chain A Binding Site BS03

Receptor Information

>4c4r Chain A (length=218) Species: 1358 (Lactococcus lactis)

MFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSRE
DSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLL
KDLRSNKIKIALASASKNGPFLLERMNLTGYFDAIADPAEVAASKPAPDI
FIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVI
VPDTSHYTLEFLKEVWLQ

Ligand information

• Ligand ID: MGF
• InChI: InChI=1S/3FH.Mg/h3*1H;/q;;;+2/p-3
• InChIKey: GJOMWUHGUQLOAC-UHFFFAOYSA-K
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: F[Mg-](F)F
• Formula: F3 Mg
• Name: TRIFLUOROMAGNESATE
• PDB chain: 4c4r Chain A Residue 1221

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4c4r Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
• Resolution: 1.1 Å
• Binding residue (original residue number in PDB): D8 L9 D10 S114 A115 K145
• Binding residue (residue number reindexed from 1): D8 L9 D10 S114 A115 K145
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D8 L9 D10 T16 K45 S114 A115 K145 E169 D170
• Catalytic site (residue number reindexed from 1): D8 L9 D10 T16 K45 S114 A115 K145 E169 D170
• Enzyme Commision number: 5.4.2.6: beta-phosphoglucomutase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0008801 beta-phosphoglucomutase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4c4r, PDBe:4c4r, PDBj:4c4r
• PDBsum: 4c4r
• PubMed: 25104750
• UniProt: P71447|PGMB_LACLA Beta-phosphoglucomutase (Gene Name=pgmB)