ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Iron-sulfur cluster assembly enzyme ISCU

Intermolecular
Cysteine 381 of Cysteine desulfurase and cysteine 69
Cysteine 381 of Cysteine desulfurase and cysteine 130
Cysteine 381 of Cysteine desulfurase and cysteine 95
Cysteine 130 and cysteine 95
Cysteine 95 and cysteine 95
Cysteine 381 of Cysteine desulfurase and cysteine 138
Cysteine 95 and cysteine 138
Cysteine 130 and cysteine 69
Cysteine 130 and cysteine 138
Intramolecular
Cysteine 70 and cysteine 96
More...
Cysteine 96 and cysteine 139
Cysteine 70 and cysteine 139
A redox-regulated disulphide may form between cysteine 381 of Cysteine desulfurase and cysteine 69 of Iron-sulfur cluster assembly enzyme ISCU (381 and 44 respectively in this structure).

Details

Redox score ?
77
PDB code
5wlw
Structure name
crystal structure of the human mitochondrial cysteine desulfurase with active cysteine loop within iscu1 active site, coordinating zn ion
Structure deposition date
2017-07-27
Thiol separation (Å)
5
Half-sphere exposure sum ?
75
Minimum pKa ?
4
% buried
62
Peptide A name
Cysteine desulfurase
Peptide B name
Iron-sulfur cluster assembly enzyme ISCU
Peptide A accession
Q9Y697
Peptide B accession
Q9H1K1
Peptide A residue number
381
Peptide B residue number
69

Ligandability

Cysteine 381 of Cysteine desulfurase

Cysteine 69 of Iron-sulfur cluster assembly enzyme ISCU

A redox-regulated disulphide may form between cysteine 381 of Cysteine desulfurase and cysteine 130 of Iron-sulfur cluster assembly enzyme ISCU. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
5kz5
Structure name
architecture of the human mitochondrial iron-sulfur cluster assembly machinery: the complex formed by the iron donor, the sulfur donor, and the scaffold
Structure deposition date
2016-07-22
Thiol separation (Å)
6
Half-sphere exposure sum ?
83
Minimum pKa ?
10
% buried
100
Peptide A name
Cysteine desulfurase
Peptide B name
Iron-sulfur cluster assembly enzyme ISCU
Peptide A accession
Q9Y697
Peptide B accession
Q9H1K1
Peptide A residue number
381
Peptide B residue number
130

Ligandability

Cysteine 381 of Cysteine desulfurase

Cysteine 130 of Iron-sulfur cluster assembly enzyme ISCU

A redox-regulated disulphide may form between cysteine 381 of Cysteine desulfurase and cysteine 95 of Iron-sulfur cluster assembly enzyme ISCU (381 and 70 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
5wlw
Structure name
crystal structure of the human mitochondrial cysteine desulfurase with active cysteine loop within iscu1 active site, coordinating zn ion
Structure deposition date
2017-07-27
Thiol separation (Å)
5
Half-sphere exposure sum ?
91
Minimum pKa ?
14
% buried
86
Peptide A name
Cysteine desulfurase
Peptide B name
Iron-sulfur cluster assembly enzyme ISCU
Peptide A accession
Q9Y697
Peptide B accession
Q9H1K1
Peptide A residue number
381
Peptide B residue number
95

Ligandability

Cysteine 381 of Cysteine desulfurase

Cysteine 95 of Iron-sulfur cluster assembly enzyme ISCU

A redox-regulated disulphide may form between two units of Iron-sulfur cluster assembly enzyme ISCU at cysteines 130 and 95. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
5kz5
Structure name
architecture of the human mitochondrial iron-sulfur cluster assembly machinery: the complex formed by the iron donor, the sulfur donor, and the scaffold
Structure deposition date
2016-07-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
83
Minimum pKa ?
8
% buried
100
Peptide A name
Iron-sulfur cluster assembly enzyme ISCU
Peptide B name
Iron-sulfur cluster assembly enzyme ISCU
Peptide A accession
Q9H1K1
Peptide B accession
Q9H1K1
Peptide A residue number
130
Peptide B residue number
95

Ligandability

Cysteine 130 of Iron-sulfur cluster assembly enzyme ISCU

Cysteine 95 of Iron-sulfur cluster assembly enzyme ISCU

A redox-regulated disulphide may form between two units of Iron-sulfur cluster assembly enzyme ISCU at cysteines 95 and 95. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
5kz5
Structure name
architecture of the human mitochondrial iron-sulfur cluster assembly machinery: the complex formed by the iron donor, the sulfur donor, and the scaffold
Structure deposition date
2016-07-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
83
Minimum pKa ?
8
% buried
100
Peptide A name
Iron-sulfur cluster assembly enzyme ISCU
Peptide B name
Iron-sulfur cluster assembly enzyme ISCU
Peptide A accession
Q9H1K1
Peptide B accession
Q9H1K1
Peptide A residue number
95
Peptide B residue number
95

Ligandability

A redox-regulated disulphide may form between cysteine 381 of Cysteine desulfurase and cysteine 138 of Iron-sulfur cluster assembly enzyme ISCU (381 and 113 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5wlw
Structure name
crystal structure of the human mitochondrial cysteine desulfurase with active cysteine loop within iscu1 active site, coordinating zn ion
Structure deposition date
2017-07-27
Thiol separation (Å)
7
Half-sphere exposure sum ?
87
Minimum pKa ?
16
% buried
80
Peptide A name
Cysteine desulfurase
Peptide B name
Iron-sulfur cluster assembly enzyme ISCU
Peptide A accession
Q9Y697
Peptide B accession
Q9H1K1
Peptide A residue number
381
Peptide B residue number
138

Ligandability

Cysteine 381 of Cysteine desulfurase

Cysteine 138 of Iron-sulfur cluster assembly enzyme ISCU

A redox-regulated disulphide may form between two units of Iron-sulfur cluster assembly enzyme ISCU at cysteines 95 and 138. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
5kz5
Structure name
architecture of the human mitochondrial iron-sulfur cluster assembly machinery: the complex formed by the iron donor, the sulfur donor, and the scaffold
Structure deposition date
2016-07-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
7
% buried
100
Peptide A name
Iron-sulfur cluster assembly enzyme ISCU
Peptide B name
Iron-sulfur cluster assembly enzyme ISCU
Peptide A accession
Q9H1K1
Peptide B accession
Q9H1K1
Peptide A residue number
95
Peptide B residue number
138

Ligandability

Cysteine 95 of Iron-sulfur cluster assembly enzyme ISCU

Cysteine 138 of Iron-sulfur cluster assembly enzyme ISCU

A redox-regulated disulphide may form between two units of Iron-sulfur cluster assembly enzyme ISCU at cysteines 130 and 69. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5kz5
Structure name
architecture of the human mitochondrial iron-sulfur cluster assembly machinery: the complex formed by the iron donor, the sulfur donor, and the scaffold
Structure deposition date
2016-07-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
10
% buried
99
Peptide A name
Iron-sulfur cluster assembly enzyme ISCU
Peptide B name
Iron-sulfur cluster assembly enzyme ISCU
Peptide A accession
Q9H1K1
Peptide B accession
Q9H1K1
Peptide A residue number
130
Peptide B residue number
69

Ligandability

Cysteine 130 of Iron-sulfur cluster assembly enzyme ISCU

Cysteine 69 of Iron-sulfur cluster assembly enzyme ISCU

A redox-regulated disulphide may form between two units of Iron-sulfur cluster assembly enzyme ISCU at cysteines 130 and 138. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
5kz5
Structure name
architecture of the human mitochondrial iron-sulfur cluster assembly machinery: the complex formed by the iron donor, the sulfur donor, and the scaffold
Structure deposition date
2016-07-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
10
% buried
100
Peptide A name
Iron-sulfur cluster assembly enzyme ISCU
Peptide B name
Iron-sulfur cluster assembly enzyme ISCU
Peptide A accession
Q9H1K1
Peptide B accession
Q9H1K1
Peptide A residue number
130
Peptide B residue number
138

Ligandability

Cysteine 130 of Iron-sulfur cluster assembly enzyme ISCU

Cysteine 138 of Iron-sulfur cluster assembly enzyme ISCU

A redox-regulated disulphide may form within Iron-sulfur cluster assembly enzyme ISCU between cysteines 70 and 96 (33 and 59 respectively in this structure).

Details

Redox score ?
81
PDB code
1wfz
Structure name
solution structure of iron-sulfur cluster protein u (iscu)
Structure deposition date
2004-05-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
8
% buried
9
Peptide accession
Q9D7P6
Residue number A
70
Residue number B
96
Peptide name
Iron-sulfur cluster assembly enzyme ISCU

Ligandability

Cysteine 70 of Iron-sulfur cluster assembly enzyme ISCU

Cysteine 96 of Iron-sulfur cluster assembly enzyme ISCU

A redox-regulated disulphide may form within Iron-sulfur cluster assembly enzyme ISCU between cysteines 96 and 139 (59 and 102 respectively in this structure).

Details

Redox score ?
80
PDB code
1wfz
Structure name
solution structure of iron-sulfur cluster protein u (iscu)
Structure deposition date
2004-05-27
Thiol separation (Å)
3
Half-sphere exposure sum ?
77
Minimum pKa ?
8
% buried
26
Peptide accession
Q9D7P6
Residue number A
96
Residue number B
139
Peptide name
Iron-sulfur cluster assembly enzyme ISCU

Ligandability

Cysteine 96 of Iron-sulfur cluster assembly enzyme ISCU

Cysteine 139 of Iron-sulfur cluster assembly enzyme ISCU

A redox-regulated disulphide may form within Iron-sulfur cluster assembly enzyme ISCU between cysteines 70 and 139 (33 and 102 respectively in this structure).

Details

Redox score ?
64
PDB code
1wfz
Structure name
solution structure of iron-sulfur cluster protein u (iscu)
Structure deposition date
2004-05-27
Thiol separation (Å)
6
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
18
Peptide accession
Q9D7P6
Residue number A
70
Residue number B
139
Peptide name
Iron-sulfur cluster assembly enzyme ISCU

Ligandability

Cysteine 70 of Iron-sulfur cluster assembly enzyme ISCU

Cysteine 139 of Iron-sulfur cluster assembly enzyme ISCU

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