4FK1

Crystal Structure of Putative Thioredoxin Reductase TrxB from Bacillus anthracis

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004791	molecular_function	thioredoxin-disulfide reductase (NADPH) activity
A	0016491	molecular_function	oxidoreductase activity
A	0045454	biological_process	cell redox homeostasis
A	0046872	molecular_function	metal ion binding
A	0098869	biological_process	cellular oxidant detoxification
B	0000166	molecular_function	nucleotide binding
B	0004791	molecular_function	thioredoxin-disulfide reductase (NADPH) activity
B	0016491	molecular_function	oxidoreductase activity
B	0045454	biological_process	cell redox homeostasis
B	0046872	molecular_function	metal ion binding
B	0098869	biological_process	cellular oxidant detoxification
C	0000166	molecular_function	nucleotide binding
C	0004791	molecular_function	thioredoxin-disulfide reductase (NADPH) activity
C	0016491	molecular_function	oxidoreductase activity
C	0045454	biological_process	cell redox homeostasis
C	0046872	molecular_function	metal ion binding
C	0098869	biological_process	cellular oxidant detoxification
D	0000166	molecular_function	nucleotide binding
D	0004791	molecular_function	thioredoxin-disulfide reductase (NADPH) activity
D	0016491	molecular_function	oxidoreductase activity
D	0045454	biological_process	cell redox homeostasis
D	0046872	molecular_function	metal ion binding
D	0098869	biological_process	cellular oxidant detoxification

Functional Information from PDB Data

site_id	AC1
Number of Residues	34
Details	BINDING SITE FOR RESIDUE FAD A 500

Chain	Residue
A	GLY10
A	ARG38
A	ASN39
A	THR42
A	SER45
A	HIS46
A	LYS60
A	LYS78
A	THR79
A	VAL80
A	ALA109
A	GLY12
A	THR110
A	GLU114
A	TYR126
A	CYS136
A	ASN235
A	GLY268
A	GLU269
A	SER277
A	LEU278
A	ALA281
A	PRO13
A	HOH603
A	HOH604
A	HOH614
A	HOH615
A	HOH617
A	ALA14
A	ASP33
A	ASN34
A	ASN35
A	THR36
A	ASN37

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site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 501

Chain	Residue
A	THR42
A	ASN44
A	ASP137
A	HOH605
A	HOH610
A	HOH611
A	HOH612

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site_id	AC3
Number of Residues	30
Details	BINDING SITE FOR RESIDUE FAD B 500

Chain	Residue
B	GLY10
B	GLY12
B	PRO13
B	ALA14
B	ASP33
B	ASN34
B	ASN35
B	THR36
B	ASN37
B	ARG38
B	ASN39
B	SER45
B	HIS46
B	LYS60
B	LYS78
B	VAL80
B	ALA109
B	THR110
B	GLY111
B	GLU114
B	TYR126
B	CYS136
B	ASN235
B	PHE237
B	GLY268
B	GLU269
B	SER277
B	LEU278
B	ALA281
B	HOH606

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site_id	AC4
Number of Residues	35
Details	BINDING SITE FOR RESIDUE FAD C 500

Chain	Residue
C	HOH601
C	HOH602
C	HOH603
C	HOH608
C	HOH612
C	HOH622
C	HOH651
C	GLY10
C	GLY12
C	PRO13
C	ALA14
C	ASP33
C	ASN34
C	ASN35
C	THR36
C	ASN37
C	ARG38
C	ASN39
C	SER45
C	HIS46
C	LYS60
C	LYS78
C	VAL80
C	ALA109
C	THR110
C	GLY111
C	GLU114
C	TYR126
C	CYS136
C	ASN235
C	GLY268
C	GLU269
C	SER277
C	LEU278
C	ALA281

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site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 501

Chain	Residue
C	ASN44
C	ASP137
C	HOH611
C	HOH612
C	HOH624

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site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 502

Chain	Residue
C	MSO68
C	HOH644
C	HOH645
C	HOH646
C	HOH647
C	HOH648

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site_id	AC7
Number of Residues	35
Details	BINDING SITE FOR RESIDUE FAD D 500

Chain	Residue
D	GLY10
D	GLY12
D	PRO13
D	ALA14
D	ASP33
D	ASN34
D	ASN35
D	THR36
D	ASN37
D	ARG38
D	ASN39
D	SER45
D	HIS46
D	LYS60
D	LYS78
D	VAL80
D	ALA109
D	THR110
D	GLU114
D	TYR126
D	CYS136
D	ASN235
D	GLY268
D	GLU269
D	SER277
D	LEU278
D	ALA281
D	HOH606
D	HOH608
D	HOH609
D	HOH610
D	HOH612
D	HOH615
D	HOH621
D	HOH632

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site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D 501

Chain	Residue
D	ASN44
D	ASP137
D	HOH615
D	HOH616
D	HOH617
D	HOH648

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site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL D 502

Chain	Residue
C	GLU66
D	THR50
D	ARG51
D	ASP52

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