3GUR

Crystal Structure of mu class glutathione S-transferase (GSTM2-2) in complex with glutathione and 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX)

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
B	d3gurb2	All alpha proteins	GST C-terminal domain-like	GST C-terminal domain-like	Glutathione S-transferase (GST), C-terminal domain	Class mu GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d3gurb1	Alpha and beta proteins (a/b)	Thioredoxin fold	Thioredoxin-like	Glutathione S-transferase (GST), N-terminal domain	Class mu GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d3gurc2	All alpha proteins	GST C-terminal domain-like	GST C-terminal domain-like	Glutathione S-transferase (GST), C-terminal domain	Class mu GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d3gurc1	Alpha and beta proteins (a/b)	Thioredoxin fold	Thioredoxin-like	Glutathione S-transferase (GST), N-terminal domain	Class mu GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d3gura2	All alpha proteins	GST C-terminal domain-like	GST C-terminal domain-like	Glutathione S-transferase (GST), C-terminal domain	Class mu GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d3gura1	Alpha and beta proteins (a/b)	Thioredoxin fold	Thioredoxin-like	Glutathione S-transferase (GST), N-terminal domain	Class mu GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d3gurd2	All alpha proteins	GST C-terminal domain-like	GST C-terminal domain-like	Glutathione S-transferase (GST), C-terminal domain	Class mu GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d3gurd1	Alpha and beta proteins (a/b)	Thioredoxin fold	Thioredoxin-like	Glutathione S-transferase (GST), N-terminal domain	Class mu GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
B	SCOP2B Superfamily	Thioredoxin-like	8039313	3000031	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	GST C-terminal domain-like	8039311	3000305	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	GST C-terminal domain-like	8039311	3000305	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Thioredoxin-like	8039313	3000031	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	GST C-terminal domain-like	8039311	3000305	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	Thioredoxin-like	8039313	3000031	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	GST C-terminal domain-like	8039311	3000305	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Thioredoxin-like	8039313	3000031	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
B	GST_C_3	e3gurB1	A: alpha superhelices	X: Repetitive alpha hairpins	H: Glutathione S-transferase (GST)-C (From Topology)	T: Glutathione S-transferase (GST)-C	F: GST_C_3	ECOD (1.6)
B	GST_N_5	e3gurB2	A: a+b three layers	X: Thioredoxin-like	H: Thioredoxin-like (From Topology)	T: Thioredoxin-like	F: GST_N_5	ECOD (1.6)
C	GST_C_3	e3gurC1	A: alpha superhelices	X: Repetitive alpha hairpins	H: Glutathione S-transferase (GST)-C (From Topology)	T: Glutathione S-transferase (GST)-C	F: GST_C_3	ECOD (1.6)
C	GST_N_5	e3gurC2	A: a+b three layers	X: Thioredoxin-like	H: Thioredoxin-like (From Topology)	T: Thioredoxin-like	F: GST_N_5	ECOD (1.6)
A	GST_C_3	e3gurA1	A: alpha superhelices	X: Repetitive alpha hairpins	H: Glutathione S-transferase (GST)-C (From Topology)	T: Glutathione S-transferase (GST)-C	F: GST_C_3	ECOD (1.6)
A	GST_N_5	e3gurA2	A: a+b three layers	X: Thioredoxin-like	H: Thioredoxin-like (From Topology)	T: Thioredoxin-like	F: GST_N_5	ECOD (1.6)
D	GST_C_3	e3gurD1	A: alpha superhelices	X: Repetitive alpha hairpins	H: Glutathione S-transferase (GST)-C (From Topology)	T: Glutathione S-transferase (GST)-C	F: GST_C_3	ECOD (1.6)
D	GST_N_5	e3gurD2	A: a+b three layers	X: Thioredoxin-like	H: Thioredoxin-like (From Topology)	T: Thioredoxin-like	F: GST_N_5	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
B	3.40.30.10	Alpha Beta	3-Layer(aba) Sandwich	Glutaredoxin	Glutaredoxin	CATH (4.3.0)
B	1.20.1050.10	Mainly Alpha	Up-down Bundle	Glutathione S-transferase Yfyf (Class Pi)	Chain A, domain 2	CATH (4.3.0)
C	3.40.30.10	Alpha Beta	3-Layer(aba) Sandwich	Glutaredoxin	Glutaredoxin	CATH (4.3.0)
C	1.20.1050.10	Mainly Alpha	Up-down Bundle	Glutathione S-transferase Yfyf (Class Pi)	Chain A, domain 2	CATH (4.3.0)
A	3.40.30.10	Alpha Beta	3-Layer(aba) Sandwich	Glutaredoxin	Glutaredoxin	CATH (4.3.0)
A	1.20.1050.10	Mainly Alpha	Up-down Bundle	Glutathione S-transferase Yfyf (Class Pi)	Chain A, domain 2	CATH (4.3.0)
D	3.40.30.10	Alpha Beta	3-Layer(aba) Sandwich	Glutaredoxin	Glutaredoxin	CATH (4.3.0)
D	1.20.1050.10	Mainly Alpha	Up-down Bundle	Glutathione S-transferase Yfyf (Class Pi)	Chain A, domain 2	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF00043	Glutathione S-transferase, C-terminal domain (GST_C)	Glutathione S-transferase, C-terminal domain	GST conjugates reduced glutathione to a variety of targets including S-crystallin from squid, the eukaryotic elongation factor 1-gamma, the HSP26 family of stress-related proteins and auxin-regulated proteins in plants. Stringent starvation proteins ...	GST conjugates reduced glutathione to a variety of targets including S-crystallin from squid, the eukaryotic elongation factor 1-gamma, the HSP26 family of stress-related proteins and auxin-regulated proteins in plants. Stringent starvation proteins in E. coli are also included in the alignment but are not known to have GST activity. The glutathione molecule binds in a cleft between N and C-terminal domains. The catalytically important residues are proposed to reside in the N-terminal domain [1]. In plants, GSTs are encoded by a large gene family (48 GST genes in Arabidopsis) and can be divided into the phi, tau, theta, zeta, and lambda classes [2].	Domain
A, B, C, D	PF02798	Glutathione S-transferase, N-terminal domain (GST_N)	Glutathione S-transferase, N-terminal domain	Function: conjugation of reduced glutathione to a variety of targets. Also included in the alignment, but not GSTs: S-crystallins from squid (similarity to GST previously noted); eukaryotic elongation factors 1-gamma (not known to have GST activity a ...	Function: conjugation of reduced glutathione to a variety of targets. Also included in the alignment, but not GSTs: S-crystallins from squid (similarity to GST previously noted); eukaryotic elongation factors 1-gamma (not known to have GST activity and similarity not previously recognised); HSP26 family of stress-related proteins including auxin-regulated proteins in plants and stringent starvation proteins in E. coli (not known to have GST activity and similarity not previously recognised). The glutathione molecule binds in a cleft between the N- and C-terminal domains - the catalytically important residues are proposed to reside in the N-terminal domain [1].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	Glutathione S-transferase Mu 2	protein binding binding signaling receptor binding amide binding modified amino acid binding ion binding oligopeptide binding anion binding glutathione binding sulfur compound binding small molecule binding peroxidase activity oxidoreductase activity antioxidant activity protein binding binding signaling receptor binding amide binding modified amino acid binding ion binding oligopeptide binding anion binding glutathione binding sulfur compound binding small molecule binding peroxidase activity oxidoreductase activity antioxidant activity oxidoreductase activity, acting on peroxide as acceptor glutathione peroxidase activity catalytic activity fatty acid binding organic acid binding lipid binding carboxylic acid binding monocarboxylic acid binding glutathione transferase activity transferase activity transferase activity, transferring alkyl or aryl (other than methyl) groups identical protein binding protein homodimerization activity protein dimerization activity enzyme binding	multicellular organismal process system process relaxation of cardiac muscle muscle system process relaxation of muscle regulation of calcium ion transmembrane transporter activity regulation of calcium ion transport regulation of localization regulation of cellular process negative regulation of ion transmembrane transporter activity negative regulation of calcium ion transmembrane transporter activity intracellular calcium ion homeostasis negative regulation of biological process negative regulation of ryanodine-sensitive calcium-release channel activity multicellular organismal process system process relaxation of cardiac muscle muscle system process relaxation of muscle regulation of calcium ion transmembrane transporter activity regulation of calcium ion transport regulation of localization regulation of cellular process negative regulation of ion transmembrane transporter activity negative regulation of calcium ion transmembrane transporter activity intracellular calcium ion homeostasis negative regulation of biological process negative regulation of ryanodine-sensitive calcium-release channel activity negative regulation of transport calcium ion transport localization negative regulation of cation transmembrane transport monoatomic cation homeostasis monoatomic cation transport intracellular monoatomic ion homeostasis regulation of biological process regulation of release of sequestered calcium ion into cytosol regulation of monoatomic ion transport inorganic ion transmembrane transport establishment of localization regulation of cation channel activity inorganic cation transmembrane transport maintenance of location transmembrane transport regulation of molecular function release of sequestered calcium ion into cytosol regulation of transmembrane transport chemical homeostasis negative regulation of calcium ion transmembrane transport cellular localization inorganic ion homeostasis transport negative regulation of cation channel activity homeostatic process monoatomic ion transmembrane transport negative regulation of monoatomic ion transport positive regulation of biological process regulation of transmembrane transporter activity calcium ion homeostasis regulation of monoatomic ion transmembrane transport negative regulation of sequestering of calcium ion metal ion transport negative regulation of transmembrane transport regulation of transporter activity maintenance of location in cell regulation of calcium ion transmembrane transport monoatomic cation transmembrane transport positive regulation of sequestering of calcium ion negative regulation of monoatomic ion transmembrane transport negative regulation of release of sequestered calcium ion into cytosol intracellular monoatomic cation homeostasis negative regulation of cellular process monoatomic ion homeostasis monoatomic ion transport intracellular chemical homeostasis regulation of metal ion transport regulation of sequestering of calcium ion positive regulation of cellular process regulation of monoatomic ion transmembrane transporter activity calcium ion transmembrane import into cytosol regulation of transport sequestering of calcium ion biological regulation negative regulation of transporter activity negative regulation of molecular function negative regulation of calcium ion transport cellular homeostasis regulation of ryanodine-sensitive calcium-release channel activity cellular process regulation of monoatomic cation transmembrane transport calcium ion transmembrane transport nitrobenzene metabolic process benzene-containing compound metabolic process metabolic process sarcoplasmic reticulum calcium ion transport release of sequestered calcium ion into cytosol by sarcoplasmic reticulum release of sequestered calcium ion into cytosol by endoplasmic reticulum regulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum cellular response to nitrogen compound cellular response to stimulus response to stimulus cellular response to caffeine cellular response to organic cyclic compound response to nitrogen compound response to purine-containing compound response to alkaloid cellular response to chemical stimulus response to chemical cellular response to alkaloid cellular response to purine-containing compound response to organic cyclic compound response to caffeine glutathione metabolic process modified amino acid metabolic process sulfur compound metabolic process amide metabolic process positive regulation of cation transmembrane transport positive regulation of calcium ion transport positive regulation of monoatomic ion transport positive regulation of monoatomic ion transmembrane transport positive regulation of cation channel activity positive regulation of molecular function positive regulation of calcium ion transmembrane transporter activity positive regulation of calcium ion transmembrane transport positive regulation of transmembrane transport positive regulation of release of sequestered calcium ion into cytosol positive regulation of ryanodine-sensitive calcium-release channel activity positive regulation of transport positive regulation of transporter activity positive regulation of ion transmembrane transporter activity catabolic process cellular response to xenobiotic stimulus xenobiotic catabolic process xenobiotic metabolic process response to xenobiotic stimulus regulation of heart contraction regulation of system process cardiac muscle contraction intracellular signal transduction cell communication circulatory system process intracellular signaling cassette signal transduction regulation of cardiac muscle contraction muscle contraction regulation of blood circulation regulation of striated muscle contraction calcium-mediated signaling regulation of muscle contraction heart process signaling regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion striated muscle contraction regulation of multicellular organismal process blood circulation regulation of cardiac muscle contraction by calcium ion signaling regulation of muscle system process heart contraction fatty acid metabolic process long-chain fatty acid metabolic process monocarboxylic acid biosynthetic process oxoacid metabolic process small molecule biosynthetic process long-chain fatty acid biosynthetic process hepoxilin metabolic process carboxylic acid metabolic process lipid biosynthetic process primary metabolic process organic acid metabolic process organic acid biosynthetic process fatty acid biosynthetic process carboxylic acid biosynthetic process hepoxilin biosynthetic process biosynthetic process small molecule metabolic process monocarboxylic acid metabolic process lipid metabolic process unsaturated fatty acid metabolic process linoleic acid metabolic process olefinic compound metabolic process multicellular organismal movement regulation of skeletal muscle contraction by regulation of release of sequestered calcium ion regulation of skeletal muscle contraction by calcium ion signaling skeletal muscle contraction musculoskeletal movement regulation of skeletal muscle contraction nervous system process neuromuscular process cellular detoxification of nitrogen compound cellular detoxification detoxification detoxification of nitrogen compound response to toxic substance cellular response to stress response to stress cellular response to toxic substance	extracellular exosome membrane-bounded organelle extracellular vesicle cellular anatomical structure extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle intracellular anatomical structure cytoplasm cytosol intercellular bridge extracellular exosome membrane-bounded organelle extracellular vesicle cellular anatomical structure extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle intracellular anatomical structure cytoplasm cytosol intercellular bridge intracellular membrane-bounded organelle endomembrane system sarcoplasm intracellular organelle endoplasmic reticulum sarcoplasmic reticulum

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR004046	Glutathione S-transferase, C-terminal	Domain
A, B, C, D	IPR010987	Glutathione S-transferase, C-terminal-like	Domain
A, B, C, D	IPR004045	Glutathione S-transferase, N-terminal	Domain
A, B, C, D	IPR050213	Glutathione S-transferase superfamily	Family
A, B, C, D	IPR003081	Glutathione S-transferase, Mu class	Family
A, B, C, D	IPR036282	Glutathione S-transferase, C-terminal domain superfamily	Homologous Superfamily
A, B, C, D	IPR036249	Thioredoxin-like superfamily	Homologous Superfamily
A, B, C, D	IPR040079	Glutathione transferase family	Family

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D	Pharos: P28161	Down syndrome non-small cell lung carcinoma Trisomy 21, Meiotic Nondisjunction acute kidney failure breast carcinoma coronary artery disease neurodegenerative disease psoriasis drug-induced liver injury schizophrenia myocardial ischemia

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.