Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1NW2

The crystal structure of the mutant R82E of Thioredoxin from Alicyclobacillus acidocaldarius

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0015035	molecular_function	protein-disulfide reductase activity
A	0045454	biological_process	cell redox homeostasis
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0015035	molecular_function	protein-disulfide reductase activity
B	0045454	biological_process	cell redox homeostasis
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0015035	molecular_function	protein-disulfide reductase activity
C	0045454	biological_process	cell redox homeostasis
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0015035	molecular_function	protein-disulfide reductase activity
D	0045454	biological_process	cell redox homeostasis
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0015035	molecular_function	protein-disulfide reductase activity
E	0045454	biological_process	cell redox homeostasis
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0015035	molecular_function	protein-disulfide reductase activity
F	0045454	biological_process	cell redox homeostasis
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0015035	molecular_function	protein-disulfide reductase activity
G	0045454	biological_process	cell redox homeostasis
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0015035	molecular_function	protein-disulfide reductase activity
H	0045454	biological_process	cell redox homeostasis

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CAC D 5001

Chain	Residue
D	HIS46
D	GLU97
D	CAC5002
D	ZN6004
D	ZN6009
D	HOH6027
H	GLU62
H	HOH7025

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CAC D 5002

Chain	Residue
D	GLU97
D	CAC5001
D	ZN6004
D	ZN6009
D	HOH6040
D	HOH6092
H	GLU62
D	HIS46

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 6001

Chain	Residue
A	HIS46
A	GLU97
A	ACT7001
A	ACT7002

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 6002

Chain	Residue
B	HIS46
B	GLU97
B	ACT7003
H	GLU94

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 6003

Chain	Residue
C	HIS46
C	GLU97
C	ACT7004
C	HOH7019

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 6004

Chain	Residue
D	HIS46
D	GLU97
D	CAC5001
D	CAC5002

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN E 6005

Chain	Residue
E	HIS46
E	GLU97
E	ACT7005
E	HOH7052

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 6006

Chain	Residue
D	GLU94
F	HIS46
F	GLU97
F	ACT7006

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN G 6007

Chain	Residue
G	HIS46
G	GLU97
G	ACT7007
G	HOH7008

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 6008

Chain	Residue
B	ACT7009
H	HIS46
H	GLU97
H	ACT7008

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN D 6009

Chain	Residue
D	CAC5001
D	CAC5002
H	GLU62

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT A 7001

Chain	Residue
A	GLU97
A	ZN6001
A	ACT7002

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT A 7002

Chain	Residue
A	ALA45
A	LYS93
A	ZN6001
A	ACT7001
A	HOH7074
G	ARG33

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ACT B 7003

Chain	Residue
B	HIS46
B	LYS49
B	GLU97
B	ALA101
B	LEU104
B	ZN6002
H	LYS93
H	GLU94

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACT C 7004

Chain	Residue
C	GLU97
C	ZN6003

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT E 7005

Chain	Residue
E	HIS46
E	LYS49
E	GLU97
E	ALA101
E	LEU104
E	ZN6005
E	HOH7052

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT F 7006

Chain	Residue
D	LYS93
D	GLU94
F	HIS46
F	GLU97
F	ALA101
F	ZN6006
F	HOH7041

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT G 7007

Chain	Residue
G	HIS46
G	GLU97
G	ZN6007

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT H 7008

Chain	Residue
H	GLU97
H	ALA101
H	LEU104
H	ZN6008

site_id	CC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ACT B 7009

Chain	Residue
H	ZN6008

Functional Information from PROSITE/UniProt

site_id	PS00194
Number of Residues	19
Details	THIOREDOXIN_1 Thioredoxin family active site. LVdFWaaWCGPCRmMapvL

Chain	Residue	Details
A	LEU21-LEU39

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	832
Details	Domain: {"description":"Thioredoxin","evidences":[{"source":"PROSITE-ProRule","id":"PRU00691","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
A	PRO31
A	GLY30
A	CYS32
A	CYS29

site_id	CSA10
Number of Residues	2
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
B	CYS32
B	CYS29

site_id	CSA11
Number of Residues	2
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
C	CYS32
C	CYS29

site_id	CSA12
Number of Residues	2
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
D	CYS32
D	CYS29

site_id	CSA13
Number of Residues	2
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
E	CYS32
E	CYS29

site_id	CSA14
Number of Residues	2
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
F	CYS32
F	CYS29

site_id	CSA15
Number of Residues	2
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
G	CYS32
G	CYS29

site_id	CSA16
Number of Residues	2
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
H	CYS32
H	CYS29

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
B	PRO31
B	GLY30
B	CYS32
B	CYS29

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
C	PRO31
C	GLY30
C	CYS32
C	CYS29

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
D	PRO31
D	GLY30
D	CYS32
D	CYS29

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
E	PRO31
E	GLY30
E	CYS32
E	CYS29

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
F	PRO31
F	GLY30
F	CYS32
F	CYS29

site_id	CSA7
Number of Residues	4
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
G	PRO31
G	GLY30
G	CYS32
G	CYS29

site_id	CSA8
Number of Residues	4
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
H	PRO31
H	GLY30
H	CYS32
H	CYS29

site_id	CSA9
Number of Residues	2
Details	Annotated By Reference To The Literature 1mek

Chain	Residue	Details
A	CYS32
A	CYS29

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)