Brand  (β version)

PDB ID: 5ANT

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Ligands
Code Name Style Show Link
RJE 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7h-purin-8-one PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5ANT   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Release Data : 2016-03-02
Compound :
mol_id molecule chains synonym
1 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE A,B,C 2-HYDROXY-DATP DIPHOSPHATASE, 8-OXO-DGTPASE, NUCLEOSIDE DIPHOSPHATE-LINKED MOIETY X MOTIF 1, NUDIX MOTIF 1
ec: 3.6.1.55, 3.6.1.56
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_variant: GOLD
Authors : Kettle, J.G., Alwan, H., Bista, M., Breed, J., Kack, H., Eckersley, K., Foote, K.M., Fillery, S., Goodwin, L., Jones, D., Lau, A., Nissink, J.W.M., Read, J., Scott, J., Taylor, B., Walker, G., Wissler, L.
Keywords : MTH1, ONCOLOGY, HYDROLASE, NUCLEOTIDE HYDROLYSIS, INHIBITION
Exp. method : X-RAY DIFFRACTION ( 2.0 Å )
Citation :

Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.

Kettle, J.G.,Alwan, H.,Bista, M.  et al.
(2016)  J.Med.Chem.  59 : 2346

PubMed: 26878898
DOI: 10.1021/ACS.JMEDCHEM.5B01760

Reaction

Chain : A, B, C
UniProt : P36639 (8ODP_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
2-oxo-dATP + H2O = 2-oxo-dAMP + diphosphate + H(+) 3.6.1.56 PubMed:10373420, PubMed:10608900, PubMed:11139615, PubMed:11756418, PubMed:12857738, PubMed:16607562, PubMed:21787772, PubMed:22556419, PubMed:24695224, PubMed:24695225, PubMed:26999531, PubMed:28035004, PubMed:30304478, PubMed:7782328, PubMed:8226881
left-to-right PubMed:10373420
2-oxo-ATP + H2O = 2-oxo-AMP + diphosphate + H(+) - PubMed:11139615
left-to-right
8-oxo-dGTP + H2O = 8-oxo-dGMP + diphosphate + H(+) - PubMed:10373420, PubMed:10608900, PubMed:11139615, PubMed:11756418, PubMed:12857738, PubMed:16607562, PubMed:21787772, PubMed:22556419, PubMed:24695224, PubMed:24695225, PubMed:26999531, PubMed:28035004, PubMed:30304478, PubMed:7782328, PubMed:8226881
left-to-right PubMed:10373420
8-oxo-dATP + H2O = 8-oxo-dAMP + diphosphate + H(+) - PubMed:11139615
left-to-right
H2O + O(6)-methyl-dGTP = diphosphate + H(+) + O(6)-methyl- dGMP - PubMed:30304478
left-to-right
H2O + N(6)-methyl-dATP = diphosphate + H(+) + N(6)-methyl- dAMP - PubMed:32144205
left-to-right
H2O + N(6)-methyl-ATP = diphosphate + H(+) + N(6)-methyl-AMP - PubMed:32144205
left-to-right