Structure of PDB 1lbz Chain A Binding Site BS05

Receptor Information

>1lbz Chain A (length=252) Species: 2234 (Archaeoglobus fulgidus)

MDERDALRISREIAGEVRKAIASMPLRERVKDVGMGKDGTPTKAADRVAE
DAALEILRKERVTVVTEESGVLGEGDVFVALDPLDGTFNATRGIPVYSVS
LCFSYSDKLKDAFFGYVYNLATGDEYYADSSGAYRNGERIEVSDAEELYC
NAIIYYPDRKFPFKRMRIFGSAATELCFFADGSFDCFLDIRPGKMLRIYD
AAAGVFIAEKAGGKVTELDGESLGNKKFDMQERLNIVAANEKLHPKLLEL
IK

Ligand information

• Ligand ID: FBP
• InChI: InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1
• InChIKey: RNBGYGVWRKECFJ-ARQDHWQXSA-N
• SMILES:
  CACTVS 3.341: O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O
  CACTVS 3.341: O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O
  ACDLabs 10.04: O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
• Formula: C6 H14 O12 P2
• Name: 1,6-di-O-phosphono-beta-D-fructofuranose;
  BETA-FRUCTOSE-1,6-DIPHOSPHATE;
  FRUCTOSE-1,6-BISPHOSPHATE;
  1,6-di-O-phosphono-beta-D-fructose;
  1,6-di-O-phosphono-D-fructose;
  1,6-di-O-phosphono-fructose
• ChEMBL: CHEMBL97893
• DrugBank: DB04551
• ZINC: ZINC000004096694
• PDB chain: 1lbz Chain B Residue 595

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1lbz Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): R165 R167
• Binding residue (residue number reindexed from 1): R165 R167
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): E67 D82 L84 D85 D200
• Catalytic site (residue number reindexed from 1): E67 D82 L84 D85 D200
• Enzyme Commision number: 3.1.3.11: fructose-bisphosphatase.
  3.1.3.25: inositol-phosphate phosphatase.

Gene Ontology

Molecular Function

• GO:0008934 inositol monophosphate 1-phosphatase activity
• GO:0016787 hydrolase activity
• GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
• GO:0046872 metal ion binding
• GO:0052832 inositol monophosphate 3-phosphatase activity
• GO:0052833 inositol monophosphate 4-phosphatase activity
• GO:0052834 inositol monophosphate phosphatase activity

Biological Process

• GO:0006020 inositol metabolic process
• GO:0007165 signal transduction
• GO:0046854 phosphatidylinositol phosphate biosynthetic process

External links

• PDB: RCSB:1lbz, PDBe:1lbz, PDBj:1lbz
• PDBsum: 1lbz
• PubMed: 11940584
• UniProt: O30298|BSUHB_ARCFU Fructose-1,6-bisphosphatase/inositol-1-monophosphatase (Gene Name=suhB)