Structure of PDB 3d1r Chain A Binding Site BS02

Receptor Information

>3d1r Chain A (length=321) Species: 83333 (Escherichia coli K-12)

MRRELAIEFSRVTESAALAGYKWLGRGDKNTADGAAVNAMRIMLNQVNID
GTIVIGEGEIAEAPMLYIGEKVGTGRGDAVDIAVDPIEGTRMTAMGQANA
LAVLAVGDKGCFLNAPDMYMEKLIVGPGAKGTIDLNLPLADNLRNVAAAL
GKPLSELTVTILAKPRHDAVIAEMQQLGVRVFAIPDGDVAASILTCMPDS
EVDVLYGIGGAPEGVVSAAVIRALDGDMNGRLLARHDVKGDNENRRIGEQ
ELARCKAMGIEAGKVLRLGDMARSDNVIFSATGITKGDLLEGISRKGNIA
TTETLLIRGKSTIRRIQSIHY

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3d1r Chain A Residue 3500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3d1r Structural and Biochemical Characterization of the Type II Fructose-1,6-bisphosphatase GlpX from Escherichia coli.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): D85 E88 E213
• Binding residue (residue number reindexed from 1): D85 E88 E213
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.11: fructose-bisphosphatase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0030145 manganese ion binding
• GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
• GO:0042803 protein homodimerization 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

External links

• PDB: RCSB:3d1r, PDBe:3d1r, PDBj:3d1r
• PDBsum: 3d1r
• PubMed: 19073594
• UniProt: P0A9C9|GLPX_ECOLI Fructose-1,6-bisphosphatase 1 class 2 (Gene Name=glpX)