Structure of PDB 6sqw Chain D Binding Site BS01

Receptor Information

>6sqw Chain D (length=112) Species: 10090 (Mus musculus)

MPFRFSPEPTLEDIRRLHAEFAAERDWEQFHQPRNLLLALVGEVGELAEL
FQWKSDTEPGPQAWPPKERAALQEELSDVLIYLVALAARCHVDLPQAVIS
KMDTNRQRYPVH

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: 6sqw Chain D Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6sqw The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E63 E66 E95 D98
• Binding residue (residue number reindexed from 1): E43 E46 E75 D78
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.12: dCTP diphosphatase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0000287 magnesium ion binding
• GO:0016462 pyrophosphatase activity
• GO:0016787 hydrolase activity
• GO:0032556 pyrimidine deoxyribonucleotide binding
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding
• GO:0047429 nucleoside triphosphate diphosphatase activity
• GO:0047840 dCTP diphosphatase activity

Biological Process

• GO:0006253 dCTP catabolic process
• GO:0009143 nucleoside triphosphate catabolic process
• GO:0042262 DNA protection

Cellular Component

• GO:0005634 nucleus
• GO:0005737 cytoplasm
• GO:0005739 mitochondrion
• GO:0005829 cytosol

External links

• PDB: RCSB:6sqw, PDBe:6sqw, PDBj:6sqw
• PDBsum: 6sqw
• PubMed: 31954130
• UniProt: Q9QY93|DCTP1_MOUSE dCTP pyrophosphatase 1 (Gene Name=Dctpp1)