Structure of PDB 7tu4 Chain A Binding Site BS01

Receptor Information

>7tu4 Chain A (length=430) Species: 398720 (Leeuwenhoekiella blandensis MED217)

NWEHLLSLKRQGDTAKRLRIEQDDTRLGFEVDYDRIIFSAPFRSLQDKTQ
VITDFVHTRLTHSLEVSVVGRSLGRMVGKKLLEKYPHLEQVYGYKFNDFG
AIVAAAALAHDIGNPPFGHSGEKAIGEFFKNGYGKRYKDSLTAKEYQDLI
KFEGNANGFKVLSQSKPGAQGGLRLSYATLGAFMKYPKESLPHKPSDHIA
DKKYGFFQSERALFEDVAQELGLLKRSTTDDVSWSRHPLAYLVEAADDIC
YTIIDFEDGINLGLIPEEYALEYMVKLVGQTIDRNKYNALQETSDRVSYL
RALAIGTLINESVDTFMKYEEEILAGTFDQSLIDKSNYQAQITDIINLSI
ERIYNSREVIEKEIAGYEILSTLLEARCRALDNNDTHYNQLIQQLLAPSL
YENLIQICAEVSTMTDGKALRNYKKIKGLD

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 7tu4 Chain A Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tu4 High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP.
• Resolution: 2.26 Å
• Binding residue (original residue number in PDB): H64 H112 D249
• Binding residue (residue number reindexed from 1): H62 H110 D247
• Annotation score: 1

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:7tu4, PDBe:7tu4, PDBj:7tu4
• PDBsum: 7tu4
• PubMed: 35643313
• UniProt: A3XHN1