Structure of PDB 3roj Chain C Binding Site BS01

Receptor Information

>3roj Chain C (length=347) Species: 1148 (Synechocystis sp. PCC 6803)

GSVDSTLGLEIIEVVEQAAIASAKWMGKGEKNTADQVAVEAMRERMNKIH
MRGRIVIGEGERDDAPMLYIGEEVGICTREDAKSFCNPDELVEIDIAVDP
CEGTNLVAYGQNGSMAVLAISEKGGLFAAPDFYMKKLAAPPAAKGHVDID
KSATENLKILSDCLNRSIEELVVVVMDRPRHKELIQEIRNAGARVRLISD
GDVSAAISCAFSGTNIHALMGIGAAPEGVISAAAMRCLGGHFQGQLIYDP
EVVKTGLIGESREGNLERLASMGIKNPDQVYNCEELACGETVLFAACGIT
PGTLMEGVRFFHGGVRTQSLVISSQSSTARFVDTVHMKESPKVIQLH

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: 3roj Chain C Residue 346

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3roj New insights into the structural and interactional basis for a promising route towards fructose-1,6-/sedoheptulose-1,7-bisphosphatases controlling
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D97 E100 E225
• Binding residue (residue number reindexed from 1): D99 E102 E227
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.11: fructose-bisphosphatase.
  3.1.3.37: sedoheptulose-bisphosphatase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
• GO:0046872 metal ion binding
• GO:0050278 sedoheptulose-bisphosphatase activity

Biological Process

• GO:0006071 glycerol metabolic process
• GO:0006094 gluconeogenesis
• GO:0019253 reductive pentose-phosphate cycle
• GO:0030388 fructose 1,6-bisphosphate metabolic process

External links

• PDB: RCSB:3roj, PDBe:3roj, PDBj:3roj
• PDBsum: 3roj
• UniProt: P73922|FBSB_SYNY3 D-fructose 1,6-bisphosphatase class 2/sedoheptulose 1,7-bisphosphatase (Gene Name=slr2094)