5JCU

Crystal Structure of hGSTA1-1 with Glutathione Adduct of Phenethyl Isothiocyanate and Cystein Adduct of Phenethyl Isothiocyanate

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	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	0006805	biological_process	xenobiotic metabolic process
A	0016740	molecular_function	transferase activity
A	0016853	molecular_function	isomerase activity
A	0030855	biological_process	epithelial cell differentiation
A	0043651	biological_process	linoleic acid metabolic process
A	0070062	cellular_component	extracellular exosome
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	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	0006805	biological_process	xenobiotic metabolic process
B	0016740	molecular_function	transferase activity
B	0016853	molecular_function	isomerase activity
B	0030855	biological_process	epithelial cell differentiation
B	0043651	biological_process	linoleic acid metabolic process
B	0070062	cellular_component	extracellular exosome
B	0098869	biological_process	cellular oxidant detoxification
B	1901687	biological_process	glutathione derivative biosynthetic process
C	0004364	molecular_function	glutathione transferase activity
C	0004601	molecular_function	peroxidase activity
C	0004602	molecular_function	glutathione peroxidase activity
C	0004769	molecular_function	steroid delta-isomerase activity
C	0005504	molecular_function	fatty acid binding
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	0006805	biological_process	xenobiotic metabolic process
C	0016740	molecular_function	transferase activity
C	0016853	molecular_function	isomerase activity
C	0030855	biological_process	epithelial cell differentiation
C	0043651	biological_process	linoleic acid metabolic process
C	0070062	cellular_component	extracellular exosome
C	0098869	biological_process	cellular oxidant detoxification
C	1901687	biological_process	glutathione derivative biosynthetic process
D	0004364	molecular_function	glutathione transferase activity
D	0004601	molecular_function	peroxidase activity
D	0004602	molecular_function	glutathione peroxidase activity
D	0004769	molecular_function	steroid delta-isomerase activity
D	0005504	molecular_function	fatty acid binding
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	0006805	biological_process	xenobiotic metabolic process
D	0016740	molecular_function	transferase activity
D	0016853	molecular_function	isomerase activity
D	0030855	biological_process	epithelial cell differentiation
D	0043651	biological_process	linoleic acid metabolic process
D	0070062	cellular_component	extracellular exosome
D	0098869	biological_process	cellular oxidant detoxification
D	1901687	biological_process	glutathione derivative biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	binding site for residue GVX A 301

Chain	Residue
A	TYR9
A	LEU213
A	PHE220
A	HOH432
A	HOH473
A	HOH492
A	HOH495
A	HOH497
A	HOH531
A	HOH562
B	ASP101
A	ARG45
B	ARG131
A	GLN54
A	VAL55
A	GLN67
A	THR68
A	LEU107
A	VAL111
A	MET208

---

site_id	AC2
Number of Residues	8
Details	binding site for residue EDO A 302

Chain	Residue
A	ILE106
A	TYR166
A	GLU169
A	LEU170
A	PRO207
A	HOH434
A	HOH462
A	HOH501

---

site_id	AC3
Number of Residues	5
Details	binding site for residue EDO A 303

Chain	Residue
A	ALA100
A	HOH470
A	HOH474
A	HOH502
A	HOH522

---

site_id	AC4
Number of Residues	6
Details	binding site for residue EDO A 304

Chain	Residue
A	LEU72
A	ILE96
A	GLU97
A	HIS159
A	HOH472
A	HOH580

---

site_id	AC5
Number of Residues	19
Details	binding site for residue GVX B 301

Chain	Residue
A	ASP101
A	ARG131
B	TYR9
B	ARG45
B	GLN54
B	VAL55
B	PRO56
B	GLN67
B	THR68
B	LEU107
B	VAL111
B	MET208
B	LEU213
B	PHE220
B	HOH454
B	HOH456
B	HOH505
B	HOH538
B	HOH545

---

site_id	AC6
Number of Residues	7
Details	binding site for residue EDO C 301

Chain	Residue
C	ALA100
C	GLU104
C	HOH444
C	HOH454
C	HOH504
C	HOH526
C	HOH624

---

site_id	AC7
Number of Residues	4
Details	binding site for residue EDO C 302

Chain	Residue
C	LYS185
C	THR186
C	HOH412
C	HOH496

---

site_id	AC8
Number of Residues	19
Details	binding site for residue GVX C 303

Chain	Residue
C	TYR9
C	PHE10
C	ARG45
C	GLN54
C	VAL55
C	PRO56
C	GLN67
C	THR68
C	LEU107
C	VAL111
C	MET208
C	PHE220
C	HOH451
C	HOH513
C	HOH537
C	HOH547
D	ASP101
D	ARG131
D	HOH433

---

site_id	AC9
Number of Residues	18
Details	binding site for residue GVX D 301

Chain	Residue
D	VAL111
D	MET208
D	PHE220
D	HOH453
D	HOH454
D	HOH560
D	HOH586
C	ASP101
C	ARG131
C	HOH421
D	TYR9
D	PHE10
D	ARG45
D	GLN54
D	VAL55
D	GLN67
D	THR68
D	LEU107

---

site_id	AD1
Number of Residues	6
Details	binding site for residue EDO D 302

Chain	Residue
D	SER18
D	ALA100
D	HOH417
D	HOH503
D	HOH512
D	HOH523

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	BINDING: BINDING => ECO:0000269|PubMed:16421451, ECO:0000269|PubMed:19618965

Chain	Residue	Details
A	TYR9
C	ARG45
C	GLN54
C	GLN67
D	TYR9
D	ARG45
D	GLN54
D	GLN67
A	ARG45
A	GLN54
A	GLN67
B	TYR9
B	ARG45
B	GLN54
B	GLN67
C	TYR9

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	MOD_RES: N-acetylalanine; in Glutathione S-transferase A1, N-terminally processed => ECO:0000250|UniProtKB:P30115

Chain	Residue	Details
A	ALA2
B	ALA2
C	ALA2
D	ALA2

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:P30115

Chain	Residue	Details
A	LYS4
B	LYS4
C	LYS4
D	LYS4

---