Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
C9Q 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-B]pyridine-2-carboxamide
SO4 Sulfate ion
Code : 6F1X
Header : HYDROLASE
Title : Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative)
Release Data : 2018-03-07
Compound :
mol_id molecule chains synonym
1 7,8-dihydro-8-oxoguanine triphosphatase A,B 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
other_details: FULL LENGTH HUMAN MTH1 ISOFORM P18 CONTAINING RESIDUALS FROM A THROMBIN-CLEAVAGE SITE IN N-TERMINUS
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
variant: p18
gene: NUDT1, MTH1
expression_system_strain: ROSETTA PHAGE RESISTANT
expression_system_vector_type: PLASMID
expression_system_plasmid: PET-28A
Authors : Viklund, J., Talagas, A., Tresaugues, L., Andersson, M., Ericsson, U., Forsblom, R., Ginman, T., Hallberg, K., Lindstrom, J., Persson, L., Silvander, C., Rahm, F.
Keywords : NUDIX, NUCLEOTIDE HYDROLASE, INHIBITOR, ONCOLOGY, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.90 Å )
Citation :

Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.

Rahm, F.,Viklund, J.,Tresaugues, L.  et al.
(2018)  J. Med. Chem.  61 : 2533 - 2551

PubMed: 29485874
DOI: 10.1021/acs.jmedchem.7b01884

Chain : A, B
UniProt : P36639 (8ODP_HUMAN)
Reaction : 8-oxo-dGTP + H(2)O = 8-oxo-dGMP + diphosphate.
2-hydroxy-dATP + H(2)O = 2-hydroxy-dAMP + diphosphate.