Structure of PDB 6ayu Chain A Binding Site BS04

Receptor Information

>6ayu Chain A (length=319) Species: 419947 (Mycobacterium tuberculosis H37Ra)

HMELVRVTEAGAMAAGRWVGRGDKEGGDGAAVDAMRELVNSVSMRGVVVI
GEGEKDHAPMLYNGEEVGNGDGPECDFAVDPIDGSTLMSKGMTNAISVLA
VADRGTMFDPSAVFYMNKIAVGPDAAHVLDITAPISENIRAVAKVKDLSV
RDMTVCILDRPRHAQLIHDVRATGARIRLITDGDVAGAISACRPHSGTDL
LAGIGGTPEGIIAAAAIRCMGGAIQAQLAPRDDAERRKALEAGYDLNQVL
TTEDLVSGENVFFCATGVTDGDLLKGVRYYPGGCTTHSIVMRSKSGTVRM
IEAYHRLSKLNEYSAIDFT

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6ayu Chain A Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ayu Structures of the Mycobacterium tuberculosis GlpX protein (class II fructose-1,6-bisphosphatase): implications for the active oligomeric state, catalytic mechanism and citrate inhibition.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): A190 R192 S195 T197
• Binding residue (residue number reindexed from 1): A191 R193 S196 T198
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.11: fructose-bisphosphatase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006071 glycerol metabolic process
• GO:0006094 gluconeogenesis
• GO:0030388 fructose 1,6-bisphosphate metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:6ayu, PDBe:6ayu, PDBj:6ayu
• PDBsum: 6ayu
• PubMed: 29652259
• UniProt: P9WN21|GLPX_MYCTU Fructose-1,6-bisphosphatase class 2 (Gene Name=glpX)