Structure of PDB 7tu8 Chain E Binding Site BS03

Receptor Information

>7tu8 Chain E (length=434) Species: 398720 (Leeuwenhoekiella blandensis MED217)

NWEHLLSLKRQGDTAKRLRIEQDDTRLGFEVDYDRIIFSAPFRSLQDKTQ
VIPLSKDFVHTRLTHSLEVSVVGRSLGRMVGKKLLEKYPHLEQVYGYKFN
DFGAIVAAAALAHDIGNPPFGASGEKAIGEFFKNGYGKRYKDSLTAKEYQ
DLIKFEGNANGFKVLSQSKPGAQGGLRLSYATLGAFMKYPKESLPHKPSD
HIADKKYGFFQSERALFEDVAQELGLLKRSTTDDVSWSRHPLAYLVEAAD
DICYTIIDFEDGINLGLIPEEYALEYMVKLVGQTIDRNKYNALQETSDRV
SYLRALAIGTLINESVDTFMKYEEEILAGTFDQSLIDKSNYQAQITDIIN
LSIERIYNSREVIEKEIAGYEILSTLLEARCRALDNNDTHYNQLIQQLLA
PEKSLYENLIQICAEVSTMTDGKALRNYKKIKGL

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: 7tu8 Chain E Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tu8 High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): H68 H116 D117 D253
• Binding residue (residue number reindexed from 1): H65 H113 D114 D250
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.5.1: dGTPase.

Gene Ontology

Molecular Function

• GO:0008832 dGTPase activity
• GO:0016787 hydrolase activity
• GO:0016793 triphosphoric monoester hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006203 dGTP catabolic process

External links

• PDB: RCSB:7tu8, PDBe:7tu8, PDBj:7tu8
• PDBsum: 7tu8
• PubMed: 35643313
• UniProt: A3XHN1