Structure of PDB 4da1 Chain A Binding Site BS01

Receptor Information

>4da1 Chain A (length=257) Species: 9606 (Homo sapiens)

ISLENVGCASQIGKRKENEDRFDFAQLTDEVLYFAVYDGHGGPAAADFCH
THMEKCIMDLLPKEKNLETLLTLAFLEIDKAFSSHARLSADATLLTSGTT
ATVALLRDGIELVVASVGDSRAILCRKGKPMKLTIDHTPERKDEKERIKK
CGGFVAWNQPHVNGRLAMTRSIGDLDLKTSGVIAEPETKRIKLHHADDSF
LVLTTDGINFMVNSQEICDFVNQCHDPNEAAHAVTEQAIQYGTEDNSTAV
VVPFGAW

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: 4da1 Chain A Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4da1 Structural and biochemical characterization of human mitochondrial branched-chain alpha-ketoacid dehydrogenase phosphatase.
• Resolution: 2.383 Å
• Binding residue (original residue number in PDB): D127 D298 D337
• Binding residue (residue number reindexed from 1): D38 D206 D245
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.16: protein-serine/threonine phosphatase.
  3.1.3.52: [3-methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring)]- phosphatase.

Gene Ontology

Molecular Function

• GO:0004722 protein serine/threonine phosphatase activity
• GO:0043169 cation binding

Biological Process

• GO:0006470 protein dephosphorylation

External links

• PDB: RCSB:4da1, PDBe:4da1, PDBj:4da1
• PDBsum: 4da1
• PubMed: 22291014
• UniProt: Q8N3J5|PPM1K_HUMAN Protein phosphatase Mn(2+)-dependent 1K (Gene Name=PPM1K)