2CAI

Structure of Glutathione-S-Transferase mutant, R21L, from Schistosoma Haematobium

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004364	molecular_function	glutathione transferase activity
A	0006749	biological_process	glutathione metabolic process
A	0016740	molecular_function	transferase activity
B	0004364	molecular_function	glutathione transferase activity
B	0006749	biological_process	glutathione metabolic process
B	0016740	molecular_function	transferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A1212

Chain	Residue
A	ARG189
A	HOH2087
A	HOH2088
B	LEU178
B	THR179
B	HIS186

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A1213

Chain	Residue
A	ARG16
A	HOH2090
A	HOH2091
A	PHE11
A	ASN12
A	GLY15

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A1214

Chain	Residue
A	ARG16
A	GLU70
A	SER71
A	HOH2092
A	HOH2093
A	HOH2094
A	HOH2095

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A1215

Chain	Residue
A	ASP4
A	ASP60
A	ASN61
A	HIS62

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B1212

Chain	Residue
B	THR88
B	GLU89
B	HOH2078

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 B1213

Chain	Residue
A	LEU178
A	THR179
A	HIS186
A	HOH2067
A	HOH2087
B	HIS186
B	ARG189
B	HOH2079
B	HOH2080

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B1214

Chain	Residue
B	ARG16
B	PRO54
B	GLU70
B	SER71
B	HOH2081
B	HOH2082

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B1215

Chain	Residue
B	PHE11
B	ASN12
B	GLY15
B	ARG16
B	HOH2083

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B1216

Chain	Residue
A	HIS64
A	VAL65
A	LYS125
B	LYS201
B	ALA207
B	HOH2076

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B1217

Chain	Residue
A	GLU117
B	ARG35
B	SER37
B	GLN39

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PG4 A1216

Chain	Residue
A	GLN121
A	LEU173
A	ASP174
A	HOH2096
B	GLY13
B	TYR202
B	LEU203
B	ASP205
B	BME1218

---

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PG4 A1217

Chain	Residue
A	GLY13
A	TYR202
A	LEU203
A	ASP205
A	HOH2097
A	HOH2099
B	LEU173
B	ASP174
B	HOH2049

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PG4 A1218

Chain	Residue
A	LYS80
A	GLY86
A	TYR92
B	LYS80
B	GLY86
B	TYR92

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME A1219

Chain	Residue
A	LEU72
A	ARG76
A	GLU103

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME A1220

Chain	Residue
A	TYR77
A	MET78
A	LYS81
B	PHE211

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME B1218

Chain	Residue
A	GLU117
A	PG41216
B	ASN12
B	GLY13

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	164
Details	Domain: {"description":"GST N-terminal"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	246
Details	Domain: {"description":"GST C-terminal"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12939136","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16777141","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1OE7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C80","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CA8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12939136","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16777141","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1OE7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C80","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CA8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CAQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	10
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12939136","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16777141","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1OE7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OE8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C80","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CA8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CAQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2F8F","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12939136","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16777141","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1OE7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C80","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2F8F","evidenceCode":"ECO:0007744"}]}

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	TYR10

---

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

Chain	Residue	Details
B	TYR10

---