Structure of PDB 7tu3 Chain A Binding Site BS01

Receptor Information

>7tu3 Chain A (length=431) Species: 398720 (Leeuwenhoekiella blandensis MED217) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NWEHLLSLKRQGDTAKRLRIEQDDTRLGFEVDYDRIIFSAPFRSLQDKTQ
VITDFVHTRLTHSLEVSVVGRSLGRMVGKKLLEKYPHLEQVYGYKFNDFG
AIVAAAALAHDIGNPPFGHSGEKAIGEFFKNGYGKRYKDSLTAKEYQDLI
KFEGNANGFKVLSQSKPGAQGGLRLSYATLGAFMKYPKESLPHKPSDHIA
DKKYGFFQSERALFEDVAQELGLLKRSTTDDVSWSRHPLAYLVEAADDIC
YTIIDFEDGINLGLIPEEYALEYMVKLVGQTIDRNKYNALQETSDRVSYL
RALAIGTLINESVDTFMKYEEEILAGTFDQSLIDKSNYQAQITDIINLSI
ERIYNSREVIEKEIAGYEILSTLLEARCRALDNNDTHYNQLIQQLLAPNK
SLYENLIQICAEVSTMTDGKALRNYKKIKGL

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

7tu3 Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7tu3 High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP.
Resolution	2.17 Å
Binding residue (original residue number in PDB)	H64 H112 D249
Binding residue (residue number reindexed from 1)	H62 H110 D247
Annotation score	1

Enzymatic activity

Enzyme Commision number

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

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Molecular Function

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Biological Process

External links

PDB	RCSB:7tu3, PDBe:7tu3, PDBj:7tu3
PDBsum	7tu3
PubMed	35643313
UniProt	A3XHN1

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