1F3B

CRYSTAL STRUCTURE OF MGSTA1-1 IN COMPLEX WITH GLUTATHIONE CONJUGATE OF BENZO[A]PYRENE EPOXIDE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004364	molecular_function	glutathione transferase activity
A	0004601	molecular_function	peroxidase activity
A	0004602	molecular_function	glutathione peroxidase activity
A	0004769	molecular_function	steroid Delta-isomerase activity
A	0005504	molecular_function	fatty acid binding
A	0005739	cellular_component	mitochondrion
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	0006805	biological_process	xenobiotic metabolic process
A	0009617	biological_process	response to bacterium
A	0016491	molecular_function	oxidoreductase activity
A	0016740	molecular_function	transferase activity
A	0016853	molecular_function	isomerase activity
A	0035634	biological_process	response to stilbenoid
A	0035731	molecular_function	dinitrosyl-iron complex binding
A	0042803	molecular_function	protein homodimerization activity
A	0043295	molecular_function	glutathione binding
A	0061771	biological_process	response to caloric restriction
A	0098869	biological_process	cellular oxidant detoxification
A	1901687	biological_process	glutathione derivative biosynthetic process
B	0004364	molecular_function	glutathione transferase activity
B	0004601	molecular_function	peroxidase activity
B	0004602	molecular_function	glutathione peroxidase activity
B	0004769	molecular_function	steroid Delta-isomerase activity
B	0005504	molecular_function	fatty acid binding
B	0005739	cellular_component	mitochondrion
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	0006805	biological_process	xenobiotic metabolic process
B	0009617	biological_process	response to bacterium
B	0016491	molecular_function	oxidoreductase activity
B	0016740	molecular_function	transferase activity
B	0016853	molecular_function	isomerase activity
B	0035634	biological_process	response to stilbenoid
B	0035731	molecular_function	dinitrosyl-iron complex binding
B	0042803	molecular_function	protein homodimerization activity
B	0043295	molecular_function	glutathione binding
B	0061771	biological_process	response to caloric restriction
B	0098869	biological_process	cellular oxidant detoxification
B	1901687	biological_process	glutathione derivative biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE GBX A 223

Chain	Residue
A	TYR8
A	ALA215
A	ARG216
A	PHE219
A	ILE221
A	HOH405
A	HOH442
A	HOH546
A	HOH685
A	HOH776
A	HOH814
A	PHE9
B	ASP100
B	ARG130
B	HOH331
A	ARG14
A	LYS44
A	ASP52
A	GLN53
A	VAL54
A	GLN66
A	THR67

---

site_id	AC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE GBX B 224

Chain	Residue
A	ASP100
A	ARG130
A	HOH352
B	TYR8
B	PHE9
B	ARG14
B	LYS44
B	GLN53
B	VAL54
B	PRO55
B	GLN66
B	THR67
B	ALA215
B	ARG216
B	PHE219
B	ILE221
B	HOH338
B	HOH389
B	HOH432
B	HOH538
B	HOH681
B	HOH784
B	HOH812

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	160
Details	Domain: {"description":"GST N-terminal"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11027134","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11027134","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"N-acetylalanine; in Glutathione S-transferase A1, N-terminally processed","evidences":[{"source":"UniProtKB","id":"P30115","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"P30115","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1oe8

Chain	Residue	Details
A	TYR8

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1oe8

Chain	Residue	Details
B	TYR8

---