Structure of PDB 7u66 Chain E Binding Site BS01

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 IDDGT
InChIInChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKeyHAAZLUGHYHWQIW-KVQBGUIXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
FormulaC10 H16 N5 O13 P3
Name2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL477486
DrugBankDB02181
ZINCZINC000008215755
PDB chain7u66 Chain K Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7u66 Mechanism by which T7 bacteriophage protein Gp1.2 inhibits Escherichia coli dGTPase.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		Y272 F391
Binding residue
(residue number reindexed from 1)		Y261 F361
Annotation score4
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

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

[Back to BioLiP]