Structure of PDB 4bkm Chain A Binding Site BS01

Receptor Information

>4bkm Chain A (length=304) Species: 10090 (Mus musculus)

GMARCERLRGAALRDVLGQAQGVLFDCDGVLWNGERIVPGAPELLQRLAR
AGKNTLFVSNNSRRARPELALRFARLGFAGLRAEQLFSSALCAARLLRQR
LAGVPDPKAYVLGSPALAAELEAVGVTSVGVGPDVLHGDGPSDWLAVPLE
PDVRAVVVGFDPHFSYMKLTKAVRYLQQPDCLLVGTNMDNRLPLENGRFI
AGTGCLVRAVEMAAQRQADIIGKPSPYMFQCITEDFSVDPARTLMVGDRL
ETDILFGHRCGMTTVLTLTGVSSLEEAQAYLTAGQRDLVPHYYVESIADL
MEGL

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: 4bkm Chain A Residue 1304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bkm Evolutionary and Structural Analyses of the Mammalian Haloacid Dehalogenase-Type Phosphatases Aum and Chronophin Provide Insight Into the Basis of Their Different Substrate Specificities.
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): D25 D27 D247
• Binding residue (residue number reindexed from 1): D26 D28 D248
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.16: protein-serine/threonine phosphatase.
  3.1.3.21: glycerol-1-phosphatase.
  3.1.3.48: protein-tyrosine-phosphatase.
  3.1.3.74: pyridoxal phosphatase.

Gene Ontology

Molecular Function

• GO:0016791 phosphatase activity

External links

• PDB: RCSB:4bkm, PDBe:4bkm, PDBj:4bkm
• PDBsum: 4bkm
• PubMed: 24338473
• UniProt: P60487|PLPP_MOUSE Chronophin (Gene Name=Pdxp);
  Q8CHP8|PGP_MOUSE Glycerol-3-phosphate phosphatase (Gene Name=Pgp)