ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Granzyme B

Intramolecular
Cysteine 142 and cysteine 209 L
Cysteine 173 and cysteine 188 L
Cysteine 49 and cysteine 65
Cysteine 173 and cysteine 230 L
Cysteine 209 and cysteine 230 L
Cysteine 142 and cysteine 230 L
Cysteine 188 and cysteine 230 L
A redox-regulated disulphide may form within Granzyme B between cysteines 142 and 209 (136 and 201 respectively in this structure).

Details

Redox score ?
83
PDB code
1fq3
Structure name
crystal structure of human granzyme b
Structure deposition date
2000-09-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10144
Residue number A
142
Residue number B
209
Peptide name
Granzyme B

Ligandability

Cysteine 142 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 209 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Granzyme B between cysteines 173 and 188 (168 and 182 respectively in this structure).

Details

Redox score ?
82
PDB code
1fq3
Structure name
crystal structure of human granzyme b
Structure deposition date
2000-09-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10144
Residue number A
173
Residue number B
188
Peptide name
Granzyme B

Ligandability

Cysteine 173 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 188 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Granzyme B between cysteines 49 and 65 (42 and 58 respectively in this structure).

Details

Redox score ?
80
PDB code
1iau
Structure name
human granzyme b in complex with ac-iepd-cho
Structure deposition date
2001-03-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
94
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10144
Residue number A
49
Residue number B
65
Peptide name
Granzyme B

Ligandability

Cysteine 49 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 65 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Granzyme B between cysteines 173 and 230 (168 and 228 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
1iau
Structure name
human granzyme b in complex with ac-iepd-cho
Structure deposition date
2001-03-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
nan
Peptide accession
P10144
Residue number A
173
Residue number B
230
Peptide name
Granzyme B

Ligandability

Cysteine 173 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 230 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Granzyme B between cysteines 209 and 230 (201 and 228 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
1fq3
Structure name
crystal structure of human granzyme b
Structure deposition date
2000-09-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
12
% buried
nan
Peptide accession
P10144
Residue number A
209
Residue number B
230
Peptide name
Granzyme B

Ligandability

Cysteine 209 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 230 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Granzyme B between cysteines 142 and 230 (136 and 228 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
1fq3
Structure name
crystal structure of human granzyme b
Structure deposition date
2000-09-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
90
Minimum pKa ?
12
% buried
nan
Peptide accession
P10144
Residue number A
142
Residue number B
230
Peptide name
Granzyme B

Ligandability

Cysteine 142 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 230 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Granzyme B between cysteines 188 and 230 (182 and 228 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
1iau
Structure name
human granzyme b in complex with ac-iepd-cho
Structure deposition date
2001-03-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
104
Minimum pKa ?
12
% buried
nan
Peptide accession
P10144
Residue number A
188
Residue number B
230
Peptide name
Granzyme B

Ligandability

Cysteine 188 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 230 of Granzyme B

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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