ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

NEDD8-activating enzyme E1 catalytic subunit

Intramolecular
Cysteine 364 and cysteine 367 L
Cysteine 223 and cysteine 367 L
Cysteine 223 and cysteine 364 L
Cysteine 220 and cysteine 364 L
Cysteine 220 and cysteine 223
Cysteine 220 and cysteine 367 L
Cysteine 164 and cysteine 324 L
A redox-regulated disulphide may form within NEDD8-activating enzyme E1 catalytic subunit between cysteines 364 and 367 (343 and 346 respectively in this structure).

Details

Redox score ?
95
PDB code
1r4n
Structure name
appbp1-uba3-nedd8, an e1-ubiquitin-like protein complex with atp
Structure deposition date
2003-10-07
Thiol separation (Å)
3
Half-sphere exposure sum ?
73
Minimum pKa ?
0
% buried
84
Peptide accession
Q8TBC4
Residue number A
364
Residue number B
367
Peptide name
NEDD8-activating enzyme E1 catalytic subunit

Ligandability

Cysteine 364 of NEDD8-activating enzyme E1 catalytic subunit

Cysteine 367 of NEDD8-activating enzyme E1 catalytic subunit

A redox-regulated disulphide may form within NEDD8-activating enzyme E1 catalytic subunit between cysteines 223 and 367 (202 and 346 respectively in this structure).

Details

Redox score ?
80
PDB code
1r4m
Structure name
appbp1-uba3-nedd8, an e1-ubiquitin-like protein complex
Structure deposition date
2003-10-07
Thiol separation (Å)
3
Half-sphere exposure sum ?
75
Minimum pKa ?
9
% buried
nan
Peptide accession
Q8TBC4
Residue number A
223
Residue number B
367
Peptide name
NEDD8-activating enzyme E1 catalytic subunit

Ligandability

Cysteine 223 of NEDD8-activating enzyme E1 catalytic subunit

Cysteine 367 of NEDD8-activating enzyme E1 catalytic subunit

A redox-regulated disulphide may form within NEDD8-activating enzyme E1 catalytic subunit between cysteines 223 and 364 (202 and 343 respectively in this structure).

Details

Redox score ?
77
PDB code
1r4n
Structure name
appbp1-uba3-nedd8, an e1-ubiquitin-like protein complex with atp
Structure deposition date
2003-10-07
Thiol separation (Å)
3
Half-sphere exposure sum ?
67
Minimum pKa ?
9
% buried
86
Peptide accession
Q8TBC4
Residue number A
223
Residue number B
364
Peptide name
NEDD8-activating enzyme E1 catalytic subunit

Ligandability

Cysteine 223 of NEDD8-activating enzyme E1 catalytic subunit

Cysteine 364 of NEDD8-activating enzyme E1 catalytic subunit

A redox-regulated disulphide may form within NEDD8-activating enzyme E1 catalytic subunit between cysteines 220 and 364 (199 and 343 respectively in this structure).

Details

Redox score ?
76
PDB code
1r4n
Structure name
appbp1-uba3-nedd8, an e1-ubiquitin-like protein complex with atp
Structure deposition date
2003-10-07
Thiol separation (Å)
3
Half-sphere exposure sum ?
76
Minimum pKa ?
9
% buried
94
Peptide accession
Q8TBC4
Residue number A
220
Residue number B
364
Peptide name
NEDD8-activating enzyme E1 catalytic subunit

Ligandability

Cysteine 220 of NEDD8-activating enzyme E1 catalytic subunit

Cysteine 364 of NEDD8-activating enzyme E1 catalytic subunit

A redox-regulated disulphide may form within NEDD8-activating enzyme E1 catalytic subunit between cysteines 220 and 223 (199 and 202 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
1r4n
Structure name
appbp1-uba3-nedd8, an e1-ubiquitin-like protein complex with atp
Structure deposition date
2003-10-07
Thiol separation (Å)
3
Half-sphere exposure sum ?
77
Minimum pKa ?
18
% buried
92
Peptide accession
Q8TBC4
Residue number A
220
Residue number B
223
Peptide name
NEDD8-activating enzyme E1 catalytic subunit

Ligandability

Cysteine 220 of NEDD8-activating enzyme E1 catalytic subunit

Cysteine 223 of NEDD8-activating enzyme E1 catalytic subunit

A redox-regulated disulphide may form within NEDD8-activating enzyme E1 catalytic subunit between cysteines 220 and 367 (199 and 346 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
1r4m
Structure name
appbp1-uba3-nedd8, an e1-ubiquitin-like protein complex
Structure deposition date
2003-10-07
Thiol separation (Å)
3
Half-sphere exposure sum ?
82
Minimum pKa ?
27
% buried
nan
Peptide accession
Q8TBC4
Residue number A
220
Residue number B
367
Peptide name
NEDD8-activating enzyme E1 catalytic subunit

Ligandability

Cysteine 220 of NEDD8-activating enzyme E1 catalytic subunit

Cysteine 367 of NEDD8-activating enzyme E1 catalytic subunit

A redox-regulated disulphide may form within NEDD8-activating enzyme E1 catalytic subunit between cysteines 164 and 324 (143 and 303 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
3dbl
Structure name
structural dissection of a gating mechanism preventing misactivation of ubiquitin by nedd8's e1 (appbp1-uba3arg190wt-nedd8ala72gln)
Structure deposition date
2008-06-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
102
Minimum pKa ?
13
% buried
100
Peptide accession
Q8TBC4
Residue number A
164
Residue number B
324
Peptide name
NEDD8-activating enzyme E1 catalytic subunit

Ligandability

Cysteine 164 of NEDD8-activating enzyme E1 catalytic subunit

Cysteine 324 of NEDD8-activating enzyme E1 catalytic subunit

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