Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Intermolecular
Cysteine 295 and cysteine 295
Intramolecular
Cysteine 207 and cysteine 212
Cysteine 352 and cysteine 360
Cysteine 78 and cysteine 83
Cysteine 290 and cysteine 295
Cysteine 53 and cysteine 127 L
Cysteine 83 and cysteine 127
Cysteine 53 and cysteine 83 L
1xnj B 295 A 295
A redox-regulated disulphide may form between two units of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 at cysteines 295 and 295. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
29
PDB code
1xnj
Structure name
aps complex of human paps synthetase 1
Structure deposition date
2004-10-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
82
Minimum pKa ?
13
% buried
100
Peptide A name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Peptide B name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Peptide A accession
O43252
Peptide B accession
O43252
Peptide A residue number
295
Peptide B residue number
295
Ligandability
2ofw C 207 C 212
A redox-regulated disulphide may form within Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 between cysteines 207 and 212.
Details
Redox score ?
80
PDB code
2ofw
Structure name
crystal structure of the apsk domain of human papss1 complexed with 2 aps molecules
Structure deposition date
2007-01-04
Thiol separation (Å)
3
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
28
Peptide accession
O43252
Residue number A
207
Residue number B
212
Peptide name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Ligandability
Cysteine 207 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Cysteine 212 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
2qjf A 352 A 360
A redox-regulated disulphide may form within Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 between cysteines 352 and 360. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
35
PDB code
2qjf
Structure name
crystal structure of atp-sulfurylase domain of human paps synthetase 1
Structure deposition date
2007-07-07
Thiol separation (Å)
10
Half-sphere exposure sum ?
63
Minimum pKa ?
11
% buried
68
Peptide accession
O43252
Residue number A
352
Residue number B
360
Peptide name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Ligandability
Cysteine 352 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Cysteine 360 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
1xnj B 78 B 83
A redox-regulated disulphide may form within Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 between cysteines 78 and 83. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
34
PDB code
1xnj
Structure name
aps complex of human paps synthetase 1
Structure deposition date
2004-10-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
10
% buried
50
Peptide accession
O43252
Residue number A
78
Residue number B
83
Peptide name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Ligandability
Cysteine 78 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Cysteine 83 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
1xnj B 290 B 295
A redox-regulated disulphide may form within Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 between cysteines 290 and 295. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
31
PDB code
1xnj
Structure name
aps complex of human paps synthetase 1
Structure deposition date
2004-10-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
13
% buried
100
Peptide accession
O43252
Residue number A
290
Residue number B
295
Peptide name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Ligandability
Cysteine 290 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Cysteine 295 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
1x6v B 53 B 127
A redox-regulated disulphide may form within Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 between cysteines 53 and 127. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
30
PDB code
1x6v
Structure name
the crystal structure of human 3'-phosphoadenosine-5'-phosphosulfate synthetase 1
Structure deposition date
2004-08-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
13
% buried
100
Peptide accession
O43252
Residue number A
53
Residue number B
127
Peptide name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Ligandability
Cysteine 53 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Cysteine 127 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
1xnj A 83 A 127
A redox-regulated disulphide may form within Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 between cysteines 83 and 127. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
25
PDB code
1xnj
Structure name
aps complex of human paps synthetase 1
Structure deposition date
2004-10-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
95
Minimum pKa ?
13
% buried
100
Peptide accession
O43252
Residue number A
83
Residue number B
127
Peptide name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Ligandability
Cysteine 83 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Cysteine 127 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
1xjq B 53 B 83
A redox-regulated disulphide may form within Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 between cysteines 53 and 83. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
23
PDB code
1xjq
Structure name
adp complex of human paps synthetase 1
Structure deposition date
2004-09-24
Thiol separation (Å)
10
Half-sphere exposure sum ?
94
Minimum pKa ?
13
% buried
100
Peptide accession
O43252
Residue number A
53
Residue number B
83
Peptide name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Ligandability
Cysteine 53 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
Cysteine 83 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
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