2FJA

adenosine 5'-phosphosulfate reductase in complex with substrate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000104	molecular_function	succinate dehydrogenase activity
A	0000166	molecular_function	nucleotide binding
A	0005886	cellular_component	plasma membrane
A	0009055	molecular_function	electron transfer activity
A	0009061	biological_process	anaerobic respiration
A	0016491	molecular_function	oxidoreductase activity
A	0050660	molecular_function	flavin adenine dinucleotide binding
B	0016491	molecular_function	oxidoreductase 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	0000104	molecular_function	succinate dehydrogenase activity
C	0000166	molecular_function	nucleotide binding
C	0005886	cellular_component	plasma membrane
C	0009055	molecular_function	electron transfer activity
C	0009061	biological_process	anaerobic respiration
C	0016491	molecular_function	oxidoreductase activity
C	0050660	molecular_function	flavin adenine dinucleotide binding
D	0016491	molecular_function	oxidoreductase 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

Functional Information from PDB Data

site_id	AC1
Number of Residues	40
Details	BINDING SITE FOR RESIDUE FAD A 1000

Chain	Residue
A	GLY29
A	ALA65
A	VAL66
A	LEU70
A	ALA72
A	ILE73
A	ASN74
A	VAL174
A	PHE175
A	ILE176
A	ALA213
A	GLY30
A	THR214
A	GLY215
A	TRP234
A	TYR235
A	ALA236
A	ASP239
A	SER242
A	MET365
A	SER397
A	GLY438
A	GLY31
A	ASP439
A	PHE448
A	SER449
A	SER452
A	HOH5121
A	HOH5319
A	HOH5324
A	HOH5475
A	HOH5747
B	HOH5045
A	PHE32
C	ADX1200
A	SER33
A	GLU56
A	LYS57
A	SER63
A	GLY64

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site_id	AC2
Number of Residues	42
Details	BINDING SITE FOR RESIDUE FAD C 3000

Chain	Residue
C	GLY2029
C	GLY2030
C	GLY2031
C	PHE2032
C	SER2033
C	GLU2056
C	LYS2057
C	SER2063
C	GLY2064
C	ALA2065
C	VAL2066
C	LEU2070
C	ALA2072
C	ILE2073
C	ASN2074
C	VAL2174
C	PHE2175
C	ILE2176
C	ALA2213
C	THR2214
C	GLY2215
C	TRP2234
C	TYR2235
C	ALA2236
C	ASP2239
C	SER2242
C	MET2365
C	SER2397
C	GLY2438
C	ASP2439
C	PHE2448
C	SER2449
C	SER2452
C	ADX3200
C	HOH5008
C	HOH5048
C	HOH5059
C	HOH5197
C	HOH5323
C	HOH5547
C	HOH6238
D	TRP2748

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site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SF4 B 1100

Chain	Residue
B	SER703
B	CYS725
B	ASN741
B	CYS747
B	TRP748
B	GLU749
B	CYS750
B	TYR751
B	CYS753

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 B 1110

Chain	Residue
B	ALA761
B	ILE762
B	CYS710
B	ASP711
B	CYS713
B	THR719
B	ALA720
B	CYS721
B	CYS757
B	PRO758

---

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SF4 D 3100

Chain	Residue
D	SER2703
D	CYS2725
D	PRO2726
D	MET2730
D	ASN2741
D	CYS2747
D	TRP2748
D	CYS2750
D	TYR2751
D	SER2752
D	CYS2753

---

site_id	AC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SF4 D 3110

Chain	Residue
D	CYS2710
D	ASP2711
D	GLY2712
D	CYS2713
D	THR2719
D	ALA2720
D	CYS2721
D	LEU2732
D	CYS2757
D	PRO2758
D	ILE2762

---

site_id	AC7
Number of Residues	21
Details	BINDING SITE FOR RESIDUE ADX C 1200

Chain	Residue
A	ASN74
A	TYR95
A	GLN145
A	TRP234
A	PHE261
A	ARG265
A	PRO272
A	VAL273
A	GLY274
A	PHE277
A	LEU278
A	THR314
A	ARG317
A	HIS398
A	SER399
A	FAD1000
A	HOH5124
A	HOH5374
A	HOH5639
C	HOH5762
C	HOH6233

---

site_id	AC8
Number of Residues	20
Details	BINDING SITE FOR RESIDUE ADX C 3200

Chain	Residue
C	ASN2074
C	TYR2095
C	GLN2145
C	TRP2234
C	PHE2261
C	ARG2265
C	PRO2272
C	VAL2273
C	GLY2274
C	PHE2277
C	LEU2278
C	THR2314
C	ARG2317
C	HIS2398
C	SER2399
C	FAD3000
C	HOH5013
C	HOH5280
C	HOH6239
C	HOH6240

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Functional Information from PROSITE/UniProt

site_id	PS00198
Number of Residues	12
Details	4FE4S_FER_1 4Fe-4S ferredoxin-type iron-sulfur binding region signature. CwECYsCVkMCP

Chain	Residue	Details
B	CYS747-PRO758

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	1
Details	M-CSA 123

Chain	Residue	Details
C	GLY2048	single electron acceptor, single electron donor, single electron relay, van der waals interaction
A	GLU141	activator, hydrogen bond acceptor
A	TRP234	hydrogen bond acceptor, hydrogen bond donor, increase electrophilicity
A	ARG265	electrostatic stabiliser, hydrogen bond donor, increase electrophilicity
A	ASP361	activator, hydrogen bond acceptor
A	HIS398	electrostatic stabiliser, hydrogen bond donor
A	SER449	electrostatic stabiliser, hydrogen bond donor

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site_id	MCSA2
Number of Residues	1
Details	M-CSA 123

Chain	Residue	Details
D	TRP2748	single electron acceptor, single electron donor, single electron relay, van der waals interaction
B	SER841	activator, hydrogen bond acceptor

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