Structure of PDB 7u66 Chain E Binding Site BS02

Receptor Information
>7u66 Chain E (length=474) Species: 511145 (Escherichia coli str. K-12 substr. MG1655) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIDFRKKINWHRRYRSPQGVKTEHEILRIFESDRGRIINSPAIRRLQQKT
QVFPAVRTRLTHSMEVQQVGRYIAKEILSRLKELKLLEAYGLDELTGPFE
SIVEMSCLMHDIGNPPFGHFGEAAINDWFRQRLHPEDAESQPLDRCSVAA
LRLREEPLNELRRKIRQDLCHFEGNAQGIRLVHTLMRMNLTWAQVGGILK
YTRPAWWRGETPETHHYLMKKPGYYLSEEAYIARLRKELNLALYSRFPLT
WIMEAADDISYCVADLEDAVEKRIFTVEQLYHHLHEAWFSLVVENAWEST
EDQFFMYLRVNTLNKLVPYAAQRFIDNLPAIFAGTFNHALLASECSDLLK
LYKNVAVKHVFSHPDVERLELQGYRVISGLLEIYRPLLSLSLSDFTELVE
KERVKRFPIESRLFHKLSTRHRLAYVEAVSKLPSDSPEFPLWEYYYRCRL
LQDYISGMTDLYAWDEYRRLMAVE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7u66 Chain E Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7u66 Mechanism by which T7 bacteriophage protein Gp1.2 inhibits Escherichia coli dGTPase.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		H69 H117 D268
Binding residue
(residue number reindexed from 1)		H62 H110 D257
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.5.1: dGTPase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003697 single-stranded DNA binding
GO:0003924 GTPase activity
GO:0008832 dGTPase activity
GO:0016787 hydrolase activity
GO:0016793 triphosphoric monoester hydrolase activity
GO:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0050897 cobalt ion binding
Biological Process
GO:0006203 dGTP catabolic process
GO:0015949 nucleobase-containing small molecule interconversion
GO:0043099 pyrimidine deoxyribonucleoside salvage

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Molecular Function
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Biological Process
External links
PDB RCSB:7u66, PDBe:7u66, PDBj:7u66
PDBsum7u66
PubMed36067314
UniProtP15723|DGTP_ECOLI Deoxyguanosinetriphosphate triphosphohydrolase (Gene Name=dgt)

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