ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Protein-arginine deiminase type-2

Intramolecular
Cysteine 313 and cysteine 647
Cysteine 612 and cysteine 613
Cysteine 312 and cysteine 338
Cysteine 312 and cysteine 313
Cysteine 155 and cysteine 167
Cysteine 312 and cysteine 647
Cysteine 313 and cysteine 338
Cysteine 497 and cysteine 613
Cysteine 167 and cysteine 256
Cysteine 497 and cysteine 612
A redox-regulated disulphide may form within Protein-arginine deiminase type-2 between cysteines 313 and 647.

Details

Redox score ?
63
PDB code
4n2l
Structure name
crystal structure of protein arginine deiminase 2 (q350a, 10 mm ca2+)
Structure deposition date
2013-10-05
Thiol separation (Å)
5
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
58
Peptide accession
Q9Y2J8
Residue number A
313
Residue number B
647
Peptide name
Protein-arginine deiminase type-2

Ligandability

Cysteine 313 of Protein-arginine deiminase type-2

Cysteine 647 of Protein-arginine deiminase type-2

A redox-regulated disulphide may form within Protein-arginine deiminase type-2 between cysteines 612 and 613. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
4n26
Structure name
crystal structure of protein arginine deiminase 2 (500 um ca2+)
Structure deposition date
2013-10-04
Thiol separation (Å)
6
Half-sphere exposure sum ?
55
Minimum pKa ?
11
% buried
76
Peptide accession
Q9Y2J8
Residue number A
612
Residue number B
613
Peptide name
Protein-arginine deiminase type-2

Ligandability

Cysteine 612 of Protein-arginine deiminase type-2

Cysteine 613 of Protein-arginine deiminase type-2

A redox-regulated disulphide may form within Protein-arginine deiminase type-2 between cysteines 312 and 338. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
4n26
Structure name
crystal structure of protein arginine deiminase 2 (500 um ca2+)
Structure deposition date
2013-10-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
58
Minimum pKa ?
9
% buried
40
Peptide accession
Q9Y2J8
Residue number A
312
Residue number B
338
Peptide name
Protein-arginine deiminase type-2

Ligandability

Cysteine 312 of Protein-arginine deiminase type-2

Cysteine 338 of Protein-arginine deiminase type-2

A redox-regulated disulphide may form within Protein-arginine deiminase type-2 between cysteines 312 and 313. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
4n2c
Structure name
crystal structure of protein arginine deiminase 2 (f221/222a, 10 mm ca2+)
Structure deposition date
2013-10-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
9
% buried
30
Peptide accession
Q9Y2J8
Residue number A
312
Residue number B
313
Peptide name
Protein-arginine deiminase type-2

Ligandability

Cysteine 312 of Protein-arginine deiminase type-2

Cysteine 313 of Protein-arginine deiminase type-2

A redox-regulated disulphide may form within Protein-arginine deiminase type-2 between cysteines 155 and 167. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
4n2i
Structure name
crystal structure of protein arginine deiminase 2 (d177a, 10 mm ca2+)
Structure deposition date
2013-10-04
Thiol separation (Å)
6
Half-sphere exposure sum ?
77
Minimum pKa ?
12
% buried
97
Peptide accession
Q9Y2J8
Residue number A
155
Residue number B
167
Peptide name
Protein-arginine deiminase type-2

Ligandability

Cysteine 155 of Protein-arginine deiminase type-2

Cysteine 167 of Protein-arginine deiminase type-2

A redox-regulated disulphide may form within Protein-arginine deiminase type-2 between cysteines 312 and 647. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
4n2d
Structure name
crystal structure of protein arginine deiminase 2 (d123n, 0 mm ca2+)
Structure deposition date
2013-10-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
82
Peptide accession
Q9Y2J8
Residue number A
312
Residue number B
647
Peptide name
Protein-arginine deiminase type-2

Ligandability

Cysteine 312 of Protein-arginine deiminase type-2

Cysteine 647 of Protein-arginine deiminase type-2

A redox-regulated disulphide may form within Protein-arginine deiminase type-2 between cysteines 313 and 338. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
4n25
Structure name
crystal structure of protein arginine deiminase 2 (250 um ca2+)
Structure deposition date
2013-10-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
42
Peptide accession
Q9Y2J8
Residue number A
313
Residue number B
338
Peptide name
Protein-arginine deiminase type-2

Ligandability

Cysteine 313 of Protein-arginine deiminase type-2

Cysteine 338 of Protein-arginine deiminase type-2

A redox-regulated disulphide may form within Protein-arginine deiminase type-2 between cysteines 497 and 613. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
4n2b
Structure name
crystal structure of protein arginine deiminase 2 (10 mm ca2+)
Structure deposition date
2013-10-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
12
% buried
86
Peptide accession
Q9Y2J8
Residue number A
497
Residue number B
613
Peptide name
Protein-arginine deiminase type-2

Ligandability

Cysteine 497 of Protein-arginine deiminase type-2

Cysteine 613 of Protein-arginine deiminase type-2

A redox-regulated disulphide may form within Protein-arginine deiminase type-2 between cysteines 167 and 256. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
4n2l
Structure name
crystal structure of protein arginine deiminase 2 (q350a, 10 mm ca2+)
Structure deposition date
2013-10-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
86
Peptide accession
Q9Y2J8
Residue number A
167
Residue number B
256
Peptide name
Protein-arginine deiminase type-2

Ligandability

Cysteine 167 of Protein-arginine deiminase type-2

Cysteine 256 of Protein-arginine deiminase type-2

A redox-regulated disulphide may form within Protein-arginine deiminase type-2 between cysteines 497 and 612. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
4n2a
Structure name
crystal structure of protein arginine deiminase 2 (5 mm ca2+)
Structure deposition date
2013-10-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
91
Peptide accession
Q9Y2J8
Residue number A
497
Residue number B
612
Peptide name
Protein-arginine deiminase type-2

Ligandability

Cysteine 497 of Protein-arginine deiminase type-2

Cysteine 612 of Protein-arginine deiminase type-2

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