Structure of PDB 6ayv Chain A Binding Site BS02

Receptor Information

>6ayv Chain A (length=319) Species: 83331 (Mycobacterium tuberculosis CDC1551)

HMELVRVTEAGAMAAGRWVGRGDKEGGDGAAVDAMRELVNSVSMRGVVVI
GEGEKDHAPMLYNGEEVGNGDGPECDFAVDPIDGATLMSKGMTNAISVLA
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: 6ayv Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ayv 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: 2.3 Å
• Binding residue (original residue number in PDB): D79 D82 E208
• Binding residue (residue number reindexed from 1): D80 D83 E209
• 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:6ayv, PDBe:6ayv, PDBj:6ayv
• PDBsum: 6ayv
• PubMed: 29652259
• UniProt: P9WN21|GLPX_MYCTU Fructose-1,6-bisphosphatase class 2 (Gene Name=glpX)