2GOY

Crystal structure of assimilatory adenosine 5'-phosphosulfate reductase with bound APS

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000103	biological_process	sulfate assimilation
A	0003824	molecular_function	catalytic activity
A	0004604	molecular_function	phosphoadenylyl-sulfate reductase (thioredoxin) activity
A	0005737	cellular_component	cytoplasm
A	0016491	molecular_function	oxidoreductase activity
A	0019344	biological_process	cysteine biosynthetic process
A	0019379	biological_process	sulfate assimilation, phosphoadenylyl sulfate reduction by phosphoadenylyl-sulfate reductase (thioredoxin)
A	0043866	molecular_function	adenylyl-sulfate reductase (thioredoxin) activity
A	0046872	molecular_function	metal ion binding
A	0051536	molecular_function	iron-sulfur cluster binding
A	0051539	molecular_function	4 iron, 4 sulfur cluster binding
B	0000103	biological_process	sulfate assimilation
B	0003824	molecular_function	catalytic activity
B	0004604	molecular_function	phosphoadenylyl-sulfate reductase (thioredoxin) activity
B	0005737	cellular_component	cytoplasm
B	0016491	molecular_function	oxidoreductase activity
B	0019344	biological_process	cysteine biosynthetic process
B	0019379	biological_process	sulfate assimilation, phosphoadenylyl sulfate reduction by phosphoadenylyl-sulfate reductase (thioredoxin)
B	0043866	molecular_function	adenylyl-sulfate reductase (thioredoxin) activity
B	0046872	molecular_function	metal ion binding
B	0051536	molecular_function	iron-sulfur cluster binding
B	0051539	molecular_function	4 iron, 4 sulfur cluster binding
C	0000103	biological_process	sulfate assimilation
C	0003824	molecular_function	catalytic activity
C	0004604	molecular_function	phosphoadenylyl-sulfate reductase (thioredoxin) activity
C	0005737	cellular_component	cytoplasm
C	0016491	molecular_function	oxidoreductase activity
C	0019344	biological_process	cysteine biosynthetic process
C	0019379	biological_process	sulfate assimilation, phosphoadenylyl sulfate reduction by phosphoadenylyl-sulfate reductase (thioredoxin)
C	0043866	molecular_function	adenylyl-sulfate reductase (thioredoxin) activity
C	0046872	molecular_function	metal ion binding
C	0051536	molecular_function	iron-sulfur cluster binding
C	0051539	molecular_function	4 iron, 4 sulfur cluster binding
D	0000103	biological_process	sulfate assimilation
D	0003824	molecular_function	catalytic activity
D	0004604	molecular_function	phosphoadenylyl-sulfate reductase (thioredoxin) activity
D	0005737	cellular_component	cytoplasm
D	0016491	molecular_function	oxidoreductase activity
D	0019344	biological_process	cysteine biosynthetic process
D	0019379	biological_process	sulfate assimilation, phosphoadenylyl sulfate reduction by phosphoadenylyl-sulfate reductase (thioredoxin)
D	0043866	molecular_function	adenylyl-sulfate reductase (thioredoxin) activity
D	0046872	molecular_function	metal ion binding
D	0051536	molecular_function	iron-sulfur cluster binding
D	0051539	molecular_function	4 iron, 4 sulfur cluster binding
E	0000103	biological_process	sulfate assimilation
E	0003824	molecular_function	catalytic activity
E	0004604	molecular_function	phosphoadenylyl-sulfate reductase (thioredoxin) activity
E	0005737	cellular_component	cytoplasm
E	0016491	molecular_function	oxidoreductase activity
E	0019344	biological_process	cysteine biosynthetic process
E	0019379	biological_process	sulfate assimilation, phosphoadenylyl sulfate reduction by phosphoadenylyl-sulfate reductase (thioredoxin)
E	0043866	molecular_function	adenylyl-sulfate reductase (thioredoxin) activity
E	0046872	molecular_function	metal ion binding
E	0051536	molecular_function	iron-sulfur cluster binding
E	0051539	molecular_function	4 iron, 4 sulfur cluster binding
F	0000103	biological_process	sulfate assimilation
F	0003824	molecular_function	catalytic activity
F	0004604	molecular_function	phosphoadenylyl-sulfate reductase (thioredoxin) activity
F	0005737	cellular_component	cytoplasm
F	0016491	molecular_function	oxidoreductase activity
F	0019344	biological_process	cysteine biosynthetic process
F	0019379	biological_process	sulfate assimilation, phosphoadenylyl sulfate reduction by phosphoadenylyl-sulfate reductase (thioredoxin)
F	0043866	molecular_function	adenylyl-sulfate reductase (thioredoxin) activity
F	0046872	molecular_function	metal ion binding
F	0051536	molecular_function	iron-sulfur cluster binding
F	0051539	molecular_function	4 iron, 4 sulfur cluster binding
G	0000103	biological_process	sulfate assimilation
G	0003824	molecular_function	catalytic activity
G	0004604	molecular_function	phosphoadenylyl-sulfate reductase (thioredoxin) activity
G	0005737	cellular_component	cytoplasm
G	0016491	molecular_function	oxidoreductase activity
G	0019344	biological_process	cysteine biosynthetic process
G	0019379	biological_process	sulfate assimilation, phosphoadenylyl sulfate reduction by phosphoadenylyl-sulfate reductase (thioredoxin)
G	0043866	molecular_function	adenylyl-sulfate reductase (thioredoxin) activity
G	0046872	molecular_function	metal ion binding
G	0051536	molecular_function	iron-sulfur cluster binding
G	0051539	molecular_function	4 iron, 4 sulfur cluster binding
H	0000103	biological_process	sulfate assimilation
H	0003824	molecular_function	catalytic activity
H	0004604	molecular_function	phosphoadenylyl-sulfate reductase (thioredoxin) activity
H	0005737	cellular_component	cytoplasm
H	0016491	molecular_function	oxidoreductase activity
H	0019344	biological_process	cysteine biosynthetic process
H	0019379	biological_process	sulfate assimilation, phosphoadenylyl sulfate reduction by phosphoadenylyl-sulfate reductase (thioredoxin)
H	0043866	molecular_function	adenylyl-sulfate reductase (thioredoxin) activity
H	0046872	molecular_function	metal ion binding
H	0051536	molecular_function	iron-sulfur cluster binding
H	0051539	molecular_function	4 iron, 4 sulfur cluster binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 A 301

Chain	Residue
A	PHE131
A	HIS136
A	CYS139
A	CYS140
A	CYS228
A	CYS231
A	TRP246

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SF4 B 302

Chain	Residue
B	CYS140
B	CYS228
B	CYS231
B	TRP246
B	HIS136
B	CYS139

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 C 303

Chain	Residue
C	PHE131
C	HIS136
C	CYS139
C	CYS140
C	CYS228
C	CYS231
C	TRP246

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SF4 D 304

Chain	Residue
D	HIS136
D	CYS139
D	CYS140
D	CYS228
D	CYS231
D	TRP246

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SF4 E 305

Chain	Residue
E	HIS136
E	CYS139
E	CYS140
E	CYS228
E	CYS231
E	TRP246

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SF4 F 306

Chain	Residue
F	HIS136
F	CYS139
F	CYS140
F	CYS228
F	CYS231
F	TRP246

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 G 307

Chain	Residue
G	PHE131
G	HIS136
G	CYS139
G	CYS140
G	CYS228
G	CYS231
G	TRP246

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 H 308

Chain	Residue
H	HIS136
H	CYS139
H	CYS140
H	CYS228
H	PRO230
H	CYS231
H	TRP246

---

site_id	AC9
Number of Residues	12
Details	BINDING SITE FOR RESIDUE ADX B 310

Chain	Residue
B	SER60
B	PHE61
B	SER62
B	ASP66
B	SER84
B	LEU85
B	LYS144
B	GLY161
B	GLN162
B	ARG242
B	ARG245
B	HOH312

---

site_id	BC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE ADX D 312

Chain	Residue
D	SER60
D	PHE61
D	SER62
D	ASP66
D	LEU85
D	LYS144
D	THR160
D	GLY161
D	GLN162
D	ARG242
D	ARG245
D	TRP246
D	HOH316

---

site_id	BC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE ADX F 314

Chain	Residue
F	SER60
F	PHE61
F	SER62
F	ASP66
F	LEU85
F	LYS144
F	THR160
F	GLY161
F	GLN162
F	ARG242
F	ARG245
F	TRP246
F	HOH316

---

site_id	BC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE ADX H 316

Chain	Residue
H	GLN162
H	ARG242
H	ARG245
H	SER60
H	PHE61
H	SER62
H	ASP66
H	SER84
H	LEU85
H	LYS144
H	THR160
H	GLY161

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Nucleophile; cysteine thiosulfonate intermediate => ECO:0000255|HAMAP-Rule:MF_00063, ECO:0000305|PubMed:16289027, ECO:0000305|PubMed:17010373

Chain	Residue	Details
A	CYS256
B	CYS256
C	CYS256
D	CYS256
E	CYS256
F	CYS256
G	CYS256
H	CYS256

---

site_id	SWS_FT_FI2
Number of Residues	40
Details	BINDING: BINDING => ECO:0000269|PubMed:17010373, ECO:0007744|PDB:2GOY

Chain	Residue	Details
A	SER60
B	ARG242
C	SER60
C	LEU85
C	LYS144
C	GLY161
C	ARG242
D	SER60
D	LEU85
D	LYS144
D	GLY161
A	LEU85
D	ARG242
E	SER60
E	LEU85
E	LYS144
E	GLY161
E	ARG242
F	SER60
F	LEU85
F	LYS144
F	GLY161
A	LYS144
F	ARG242
G	SER60
G	LEU85
G	LYS144
G	GLY161
G	ARG242
H	SER60
H	LEU85
H	LYS144
H	GLY161
A	GLY161
H	ARG242
A	ARG242
B	SER60
B	LEU85
B	LYS144
B	GLY161

---

site_id	SWS_FT_FI3
Number of Residues	24
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00063, ECO:0000269|PubMed:15491155, ECO:0000269|PubMed:17010373, ECO:0007744|PDB:2GOY

Chain	Residue	Details
A	CYS139
D	CYS139
D	CYS228
D	CYS231
E	CYS139
E	CYS228
E	CYS231
F	CYS139
F	CYS228
F	CYS231
G	CYS139
A	CYS228
G	CYS228
G	CYS231
H	CYS139
H	CYS228
H	CYS231
A	CYS231
B	CYS139
B	CYS228
B	CYS231
C	CYS139
C	CYS228
C	CYS231

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00063, ECO:0000269|PubMed:17010373, ECO:0007744|PDB:2GOY

Chain	Residue	Details
A	CYS140
B	CYS140
C	CYS140
D	CYS140
E	CYS140
F	CYS140
G	CYS140
H	CYS140

---