Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6EHH

Crystal structure of mouse MTH1 mutant L116M with inhibitor TH588

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0001669	cellular_component	acrosomal vesicle
A	0003723	molecular_function	RNA binding
A	0005615	cellular_component	extracellular space
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0005829	cellular_component	cytosol
A	0006152	biological_process	purine nucleoside catabolic process
A	0008413	molecular_function	8-oxo-7,8-dihydroguanosine triphosphate pyrophosphatase activity
A	0008828	molecular_function	dATP diphosphatase activity
A	0016787	molecular_function	hydrolase activity
A	0016818	molecular_function	hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides
A	0030515	molecular_function	snoRNA binding
A	0031410	cellular_component	cytoplasmic vesicle
A	0031965	cellular_component	nuclear membrane
A	0035539	molecular_function	8-oxo-7,8-dihydrodeoxyguanosine triphosphate pyrophosphatase activity
A	0042262	biological_process	DNA protection
A	0046872	molecular_function	metal ion binding
A	0047693	molecular_function	ATP diphosphatase activity
A	0106377	molecular_function	2-hydroxy-ATP hydrolase activity
A	0106378	molecular_function	2-hydroxy-dATP hydrolase activity
A	0106431	molecular_function	N6-methyl-(d)ATP hydrolase activity
A	0106433	molecular_function	O6-methyl-dGTP hydrolase activity
A	0140933	molecular_function	5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity
B	0001669	cellular_component	acrosomal vesicle
B	0003723	molecular_function	RNA binding
B	0005615	cellular_component	extracellular space
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0005829	cellular_component	cytosol
B	0006152	biological_process	purine nucleoside catabolic process
B	0008413	molecular_function	8-oxo-7,8-dihydroguanosine triphosphate pyrophosphatase activity
B	0008828	molecular_function	dATP diphosphatase activity
B	0016787	molecular_function	hydrolase activity
B	0016818	molecular_function	hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides
B	0030515	molecular_function	snoRNA binding
B	0031410	cellular_component	cytoplasmic vesicle
B	0031965	cellular_component	nuclear membrane
B	0035539	molecular_function	8-oxo-7,8-dihydrodeoxyguanosine triphosphate pyrophosphatase activity
B	0042262	biological_process	DNA protection
B	0046872	molecular_function	metal ion binding
B	0047693	molecular_function	ATP diphosphatase activity
B	0106377	molecular_function	2-hydroxy-ATP hydrolase activity
B	0106378	molecular_function	2-hydroxy-dATP hydrolase activity
B	0106431	molecular_function	N6-methyl-(d)ATP hydrolase activity
B	0106433	molecular_function	O6-methyl-dGTP hydrolase activity
B	0140933	molecular_function	5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity
C	0001669	cellular_component	acrosomal vesicle
C	0003723	molecular_function	RNA binding
C	0005615	cellular_component	extracellular space
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005759	cellular_component	mitochondrial matrix
C	0005829	cellular_component	cytosol
C	0006152	biological_process	purine nucleoside catabolic process
C	0008413	molecular_function	8-oxo-7,8-dihydroguanosine triphosphate pyrophosphatase activity
C	0008828	molecular_function	dATP diphosphatase activity
C	0016787	molecular_function	hydrolase activity
C	0016818	molecular_function	hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides
C	0030515	molecular_function	snoRNA binding
C	0031410	cellular_component	cytoplasmic vesicle
C	0031965	cellular_component	nuclear membrane
C	0035539	molecular_function	8-oxo-7,8-dihydrodeoxyguanosine triphosphate pyrophosphatase activity
C	0042262	biological_process	DNA protection
C	0046872	molecular_function	metal ion binding
C	0047693	molecular_function	ATP diphosphatase activity
C	0106377	molecular_function	2-hydroxy-ATP hydrolase activity
C	0106378	molecular_function	2-hydroxy-dATP hydrolase activity
C	0106431	molecular_function	N6-methyl-(d)ATP hydrolase activity
C	0106433	molecular_function	O6-methyl-dGTP hydrolase activity
C	0140933	molecular_function	5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity
D	0001669	cellular_component	acrosomal vesicle
D	0003723	molecular_function	RNA binding
D	0005615	cellular_component	extracellular space
D	0005634	cellular_component	nucleus
D	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005759	cellular_component	mitochondrial matrix
D	0005829	cellular_component	cytosol
D	0006152	biological_process	purine nucleoside catabolic process
D	0008413	molecular_function	8-oxo-7,8-dihydroguanosine triphosphate pyrophosphatase activity
D	0008828	molecular_function	dATP diphosphatase activity
D	0016787	molecular_function	hydrolase activity
D	0016818	molecular_function	hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides
D	0030515	molecular_function	snoRNA binding
D	0031410	cellular_component	cytoplasmic vesicle
D	0031965	cellular_component	nuclear membrane
D	0035539	molecular_function	8-oxo-7,8-dihydrodeoxyguanosine triphosphate pyrophosphatase activity
D	0042262	biological_process	DNA protection
D	0046872	molecular_function	metal ion binding
D	0047693	molecular_function	ATP diphosphatase activity
D	0106377	molecular_function	2-hydroxy-ATP hydrolase activity
D	0106378	molecular_function	2-hydroxy-dATP hydrolase activity
D	0106431	molecular_function	N6-methyl-(d)ATP hydrolase activity
D	0106433	molecular_function	O6-methyl-dGTP hydrolase activity
D	0140933	molecular_function	5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue 2GE A 201

Chain	Residue
A	TYR7
A	ASP120
A	TRP123
A	PHE139
A	NO3202
A	GOL209
A	THR8
A	LEU9
A	PHE27
A	ASN33
A	PHE72
A	PHE74
A	TRP117
A	ASP119

site_id	AC2
Number of Residues	9
Details	binding site for residue NO3 A 202

Chain	Residue
A	LEU9
A	LYS23
A	ASN33
A	GLY34
A	GLY36
A	GLU56
A	GLU100
A	MET101
A	2GE201

site_id	AC3
Number of Residues	2
Details	binding site for residue NO3 A 203

Chain	Residue
A	SER60
A	VAL61

site_id	AC4
Number of Residues	3
Details	binding site for residue NO3 A 204

Chain	Residue
A	PRO125
A	LEU128
A	GLN129

site_id	AC5
Number of Residues	4
Details	binding site for residue NO3 A 205

Chain	Residue
A	LYS66
A	GLY68
A	HIS84
A	ILE85

site_id	AC6
Number of Residues	5
Details	binding site for residue NO3 A 206

Chain	Residue
A	GLU55
A	SER98
A	GLU99
A	GLU100
A	HOH323

site_id	AC7
Number of Residues	3
Details	binding site for residue NO3 A 207

Chain	Residue
A	PRO95
B	ASP109
B	GLN110

site_id	AC8
Number of Residues	7
Details	binding site for residue PEG A 208

Chain	Residue
A	PRO118
A	SER121
A	TYR122
A	ASP143
A	THR144
A	ILE145
A	HOH320

site_id	AC9
Number of Residues	5
Details	binding site for residue GOL A 209

Chain	Residue
A	LYS23
A	PHE27
A	2GE201
A	HOH309
A	HOH327

site_id	AD1
Number of Residues	11
Details	binding site for residue 2GE B 201

Chain	Residue
B	TYR7
B	THR8
B	PHE27
B	ASN33
B	PHE72
B	TRP117
B	ASP119
B	ASP120
B	TRP123
B	PHE139
B	NO3203

site_id	AD2
Number of Residues	2
Details	binding site for residue CU B 202

Chain	Residue
B	HIS90
B	HIS92

site_id	AD3
Number of Residues	6
Details	binding site for residue NO3 B 203

Chain	Residue
B	LYS23
B	ASN33
B	GLY34
B	GLY36
B	GLY37
B	2GE201

site_id	AD4
Number of Residues	4
Details	binding site for residue NO3 B 204

Chain	Residue
B	LYS66
B	VAL67
B	LYS132
B	PHE133

site_id	AD5
Number of Residues	5
Details	binding site for residue NO3 B 205

Chain	Residue
A	SER147
B	TYR122
B	ILE145
B	LEU146
B	TYR148

site_id	AD6
Number of Residues	4
Details	binding site for residue NO3 B 206

Chain	Residue
A	ARG17
A	TRP105
B	TRP105
B	GLN107

site_id	AD7
Number of Residues	3
Details	binding site for residue NO3 B 207

Chain	Residue
A	GLN104
B	GLN110
B	PRO112

site_id	AD8
Number of Residues	4
Details	binding site for residue PEG B 208

Chain	Residue
A	GLN104
B	TRP32
B	ARG102
B	GLN104

site_id	AD9
Number of Residues	4
Details	binding site for residue GOL B 209

Chain	Residue
B	ASP62
B	THR63
B	ASP89
B	HIS90

site_id	AE1
Number of Residues	10
Details	binding site for residue 2GE C 201

Chain	Residue
C	TRP117
C	ASP119
C	ASP120
C	TRP123
C	PHE139
C	NO3205
C	THR8
C	ASN33
C	PHE72
C	PHE74

site_id	AE2
Number of Residues	2
Details	binding site for residue CU C 202

Chain	Residue
C	HIS90
C	HIS92

site_id	AE3
Number of Residues	1
Details	binding site for residue CU C 203

Chain	Residue
C	ASP89

site_id	AE4
Number of Residues	6
Details	binding site for residue NO3 C 204

Chain	Residue
C	LYS66
C	GLY68
C	HIS69
C	HIS84
C	ILE85
C	PHE86

site_id	AE5
Number of Residues	7
Details	binding site for residue NO3 C 205

Chain	Residue
C	LEU9
C	LYS23
C	ASN33
C	GLY34
C	GLY36
C	MET101
C	2GE201

site_id	AE6
Number of Residues	4
Details	binding site for residue NO3 C 206

Chain	Residue
C	LEU108
C	ASP109
C	GLN110
C	ILE111

site_id	AE7
Number of Residues	4
Details	binding site for residue PEG C 207

Chain	Residue
C	GLN107
C	ASP109
D	PRO95
D	PRO103

site_id	AE8
Number of Residues	5
Details	binding site for residue PEG C 208

Chain	Residue
C	ARG102
C	GLN104
D	GLN104
D	PHE106
D	ASP115

site_id	AE9
Number of Residues	4
Details	binding site for residue PEG C 209

Chain	Residue
C	GLU46
C	LEU64
C	LYS66
C	HOH306

site_id	AF1
Number of Residues	4
Details	binding site for residue GOL C 210

Chain	Residue
C	THR63
C	ASP89
C	HIS90
C	MG212

site_id	AF2
Number of Residues	6
Details	binding site for residue GOL C 211

Chain	Residue
C	GLN14
C	ARG17
C	HIS90
C	VAL91
C	GLY93
C	HOH304

site_id	AF3
Number of Residues	3
Details	binding site for residue MG C 212

Chain	Residue
C	THR63
C	ASP89
C	GOL210

site_id	AF4
Number of Residues	13
Details	binding site for residue 2GE D 201

Chain	Residue
D	TYR7
D	THR8
D	LEU9
D	ASN33
D	PHE72
D	PHE74
D	MET81
D	TRP117
D	ASP119
D	ASP120
D	TRP123
D	PHE139
D	NO3203

site_id	AF5
Number of Residues	2
Details	binding site for residue CU D 202

Chain	Residue
D	HIS90
D	HIS92

site_id	AF6
Number of Residues	6
Details	binding site for residue NO3 D 203

Chain	Residue
D	LYS23
D	GLY34
D	GLY36
D	MET101
D	2GE201
D	HOH308

site_id	AF7
Number of Residues	5
Details	binding site for residue NO3 D 204

Chain	Residue
D	LYS66
D	GLY68
D	HIS84
D	ILE85
D	PHE156

site_id	AF8
Number of Residues	3
Details	binding site for residue NO3 D 205

Chain	Residue
D	TYR122
D	LEU146
D	TYR148

site_id	AF9
Number of Residues	4
Details	binding site for residue NO3 D 206

Chain	Residue
D	ASP109
D	GLN110
D	ILE111
D	PHE113

site_id	AG1
Number of Residues	5
Details	binding site for residue NO3 D 207

Chain	Residue
C	ARG17
C	TRP105
D	ARG17
D	TRP105
D	GLN107

Functional Information from PROSITE/UniProt

site_id	PS00893
Number of Residues	22
Details	NUDIX_BOX Nudix box signature. GkvqegEtiedGAkRELlEEsG

Chain	Residue	Details
A	GLY37-GLY58

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	516
Details	Domain: {"description":"Nudix hydrolase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00794","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	84
Details	Motif: {"description":"Nudix box","evidences":[{"source":"PROSITE-ProRule","id":"PRU00794","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"29281266","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5MZE","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"Q7ZWC3","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)