Polyubiquitin-B
Intermolecular
Cysteine 95 of Ubiquitin-conjugating enzyme E2 S and cysteine 229
Cysteine 1286 of E3 ubiquitin-protein ligase NEDD4 and cysteine 305
Cysteine 4341 of E3 ubiquitin-protein ligase HUWE1 and cysteine 229 L
Cysteine 716 of E3 ubiquitin-protein ligase SMURF2 and cysteine 229
Cysteine 48 and cysteine 88 of Ubiquitin-conjugating enzyme E2 2
Cysteine 485 of Ubiquitin carboxyl-terminal hydrolase 2 and cysteine 2
Intramolecular
Cysteine 6 and cysteine 12
5bnb C 95 E 76
A redox-regulated disulphide may form between cysteine 95 of Ubiquitin-conjugating enzyme E2 S and cysteine 229 of Polyubiquitin-B (95 and 76 respectively in this structure).
Details
Redox score ?
88
PDB code
5bnb
Structure name
crystal structure of a ube2s-ubiquitin conjugate
Structure deposition date
2015-05-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Ubiquitin-conjugating enzyme E2 S
Peptide B name
Polyubiquitin-B
Peptide A accession
Q16763
Peptide B accession
P0CG47
Peptide A residue number
95
Peptide B residue number
229
Ligandability
Cysteine 95 of Ubiquitin-conjugating enzyme E2 S
Cysteine 229 of Polyubiquitin-B
4bbn A 866 F 76
A redox-regulated disulphide may form between cysteine 1286 of E3 ubiquitin-protein ligase NEDD4 and cysteine 305 of Polyubiquitin-B (866 and 76 respectively in this structure).
Details
Redox score ?
86
PDB code
4bbn
Structure name
nedd4 hect-ub:ub complex
Structure deposition date
2012-09-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
E3 ubiquitin-protein ligase NEDD4
Peptide B name
Polyubiquitin-B
Peptide A accession
P46934
Peptide B accession
P0CG53
Peptide A residue number
1286
Peptide B residue number
305
Ligandability
Cysteine 1286 of E3 ubiquitin-protein ligase NEDD4
Cysteine 305 of Polyubiquitin-B
6fyh A 352 B 76
A redox-regulated disulphide may form between cysteine 4341 of E3 ubiquitin-protein ligase HUWE1 and cysteine 229 of Polyubiquitin-B (352 and 76 respectively in this structure).
Details
Redox score ?
86
PDB code
6fyh
Structure name
disulfide between ubiquitin g76c and the e3 hect ligase huwe1
Structure deposition date
2018-03-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
E3 ubiquitin-protein ligase HUWE1
Peptide B name
Polyubiquitin-B
Peptide A accession
Q7Z6Z7
Peptide B accession
P0CG47
Peptide A residue number
4341
Peptide B residue number
229
Ligandability
Cysteine 4341 of E3 ubiquitin-protein ligase HUWE1
Cysteine 229 of Polyubiquitin-B
6fx4 C 86 D 76
A redox-regulated disulphide may form between cysteine 716 of E3 ubiquitin-protein ligase SMURF2 and cysteine 229 of Polyubiquitin-B (86 and 76 respectively in this structure).
Details
Redox score ?
86
PDB code
6fx4
Structure name
disulfide between e3 hect ligase smurf2 and ubiquitin g76c
Structure deposition date
2018-03-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
E3 ubiquitin-protein ligase SMURF2
Peptide B name
Polyubiquitin-B
Peptide A accession
Q9HAU4
Peptide B accession
P0CG47
Peptide A residue number
716
Peptide B residue number
229
Ligandability
Cysteine 716 of E3 ubiquitin-protein ligase SMURF2
Cysteine 229 of Polyubiquitin-B
7mey C 48 B 88
A redox-regulated disulphide may form between cysteine 48 of Polyubiquitin-B and cysteine 88 of Ubiquitin-conjugating enzyme E2 2. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
56
PDB code
7mey
Structure name
structure of yeast ubr1 in complex with ubc2 and monoubiquitinated n- degron
Structure deposition date
2021-04-08
Thiol separation (Å)
6
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
nan
Peptide A name
Polyubiquitin-B
Peptide B name
Ubiquitin-conjugating enzyme E2 2
Peptide A accession
P0CG47
Peptide B accession
P06104
Peptide A residue number
48
Peptide B residue number
88
Ligandability
Cysteine 48 of Polyubiquitin-B
Cysteine 88 of Ubiquitin-conjugating enzyme E2 2
Cysteine 48 in protein A could not be asigned to a Uniprot residue.
6dgf A 485 B 2
A redox-regulated disulphide may form between cysteine 485 of Ubiquitin carboxyl-terminal hydrolase 2 and cysteine 2 of Polyubiquitin-B.
Details
Redox score ?
nan
PDB code
6dgf
Structure name
ubiquitin variant bound to usp2
Structure deposition date
2018-05-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
44
Peptide A name
Ubiquitin carboxyl-terminal hydrolase 2
Peptide B name
Polyubiquitin-B
Peptide A accession
O75604
Peptide B accession
P0CG47
Peptide A residue number
485
Peptide B residue number
2
Ligandability
Cysteine 485 of Ubiquitin carboxyl-terminal hydrolase 2
Cysteine 2 of Polyubiquitin-B
Cysteine 2 in protein B could not be asigned to a Uniprot residue.
6dgf B 6 B 12
A redox-regulated disulphide may form within Polyubiquitin-B between cysteines 6 and 12.
Details
Redox score ?
nan
PDB code
6dgf
Structure name
ubiquitin variant bound to usp2
Structure deposition date
2018-05-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
3
% buried
100
Peptide accession
P0CG47
Residue number A
6
Residue number B
12
Peptide name
Polyubiquitin-B
Ligandability
Cysteine 6 of Polyubiquitin-B
Cysteine 12 of Polyubiquitin-B
Cysteine 6 in protein A could not be asigned to a Uniprot residue.
Cysteine 12 in protein B could not be asigned to a Uniprot residue.
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