1XW6

1.9 angstrom resolution structure of human glutathione S-transferase M1A-1A complexed with glutathione

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004364	molecular_function	glutathione transferase activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0006693	biological_process	prostaglandin metabolic process
A	0006749	biological_process	glutathione metabolic process
A	0016740	molecular_function	transferase activity
A	0018916	biological_process	nitrobenzene metabolic process
A	0019899	molecular_function	enzyme binding
A	0042178	biological_process	xenobiotic catabolic process
A	0042802	molecular_function	identical protein binding
A	0042803	molecular_function	protein homodimerization activity
A	0043295	molecular_function	glutathione binding
A	0045171	cellular_component	intercellular bridge
A	0051122	biological_process	hepoxilin biosynthetic process
A	0070458	biological_process	cellular detoxification of nitrogen compound
A	1901687	biological_process	glutathione derivative biosynthetic process
B	0004364	molecular_function	glutathione transferase activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006693	biological_process	prostaglandin metabolic process
B	0006749	biological_process	glutathione metabolic process
B	0016740	molecular_function	transferase activity
B	0018916	biological_process	nitrobenzene metabolic process
B	0019899	molecular_function	enzyme binding
B	0042178	biological_process	xenobiotic catabolic process
B	0042802	molecular_function	identical protein binding
B	0042803	molecular_function	protein homodimerization activity
B	0043295	molecular_function	glutathione binding
B	0045171	cellular_component	intercellular bridge
B	0051122	biological_process	hepoxilin biosynthetic process
B	0070458	biological_process	cellular detoxification of nitrogen compound
B	1901687	biological_process	glutathione derivative biosynthetic process
C	0004364	molecular_function	glutathione transferase activity
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006629	biological_process	lipid metabolic process
C	0006693	biological_process	prostaglandin metabolic process
C	0006749	biological_process	glutathione metabolic process
C	0016740	molecular_function	transferase activity
C	0018916	biological_process	nitrobenzene metabolic process
C	0019899	molecular_function	enzyme binding
C	0042178	biological_process	xenobiotic catabolic process
C	0042802	molecular_function	identical protein binding
C	0042803	molecular_function	protein homodimerization activity
C	0043295	molecular_function	glutathione binding
C	0045171	cellular_component	intercellular bridge
C	0051122	biological_process	hepoxilin biosynthetic process
C	0070458	biological_process	cellular detoxification of nitrogen compound
C	1901687	biological_process	glutathione derivative biosynthetic process
D	0004364	molecular_function	glutathione transferase activity
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006629	biological_process	lipid metabolic process
D	0006693	biological_process	prostaglandin metabolic process
D	0006749	biological_process	glutathione metabolic process
D	0016740	molecular_function	transferase activity
D	0018916	biological_process	nitrobenzene metabolic process
D	0019899	molecular_function	enzyme binding
D	0042178	biological_process	xenobiotic catabolic process
D	0042802	molecular_function	identical protein binding
D	0042803	molecular_function	protein homodimerization activity
D	0043295	molecular_function	glutathione binding
D	0045171	cellular_component	intercellular bridge
D	0051122	biological_process	hepoxilin biosynthetic process
D	0070458	biological_process	cellular detoxification of nitrogen compound
D	1901687	biological_process	glutathione derivative biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE GSH A 750

Chain	Residue
A	TYR6
A	SER72
A	MET104
A	HOH764
A	HOH790
A	HOH807
A	HOH822
A	HOH886
A	HOH938
B	ASP105
A	TRP7
A	LEU12
A	ARG42
A	TRP45
A	LYS49
A	ASN58
A	LEU59
A	GLN71

---

site_id	AC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE GSH B 751

Chain	Residue
A	ASP105
B	TYR6
B	TRP7
B	LEU12
B	ARG42
B	TRP45
B	LYS49
B	ASN58
B	LEU59
B	PRO60
B	GLN71
B	SER72
B	HOH755
B	HOH756
B	HOH927

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE GSH C 752

Chain	Residue
C	TYR6
C	TRP7
C	ARG42
C	TRP45
C	LYS49
C	ASN58
C	LEU59
C	GLN71
C	SER72
C	HOH770
C	HOH771
C	HOH829
C	HOH834
C	HOH885
C	HOH887
D	ASP105

---

site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE GSH D 753

Chain	Residue
C	ASP105
D	TYR6
D	TRP7
D	LEU12
D	ARG42
D	TRP45
D	LYS49
D	ASN58
D	LEU59
D	GLN71
D	SER72
D	MET104
D	HOH766
D	HOH767
D	HOH818
D	HOH872
D	HOH886

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	20
Details	BINDING: BINDING => ECO:0000269|Ref.20, ECO:0000305|PubMed:16548513

Chain	Residue	Details
A	SER72
B	TRP7
B	SER43
B	PHE50
B	LEU59
B	SER72
C	TRP7
C	SER43
C	PHE50
C	LEU59
C	SER72
D	TRP7
D	SER43
D	PHE50
D	LEU59
D	SER72
A	TRP7
A	SER43
A	PHE50
A	LEU59

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING:

Chain	Residue	Details
A	ASN116
B	ASN116
C	ASN116
D	ASN116

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P10649

Chain	Residue	Details
A	MET34
B	MET34
C	MET34
D	MET34

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P04905

Chain	Residue	Details
A	LYS210
B	LYS210
C	LYS210
D	LYS210

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 867

Chain	Residue	Details
A	TYR6	electrostatic stabiliser, hydrogen bond donor
A	ARG42	electrostatic stabiliser, transition state stabiliser
A	HIS107	proton acceptor, proton donor

---