ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Ubiquitin carboxyl-terminal hydrolase 1

Intramolecular
Cysteine 440 and cysteine 506
Cysteine 506 and cysteine 509
Cysteine 443 and cysteine 506
Cysteine 440 and cysteine 443
Cysteine 440 and cysteine 509
Cysteine 443 and cysteine 509
A redox-regulated disulphide may form within Ubiquitin carboxyl-terminal hydrolase 1 between cysteines 440 and 506.

Details

Redox score ?
84
PDB code
8a9k
Structure name
cryo-em structure of usp1-uaf1 bound to fanci and mono-ubiquitinated fancd2 with ml323 (consensus reconstruction)
Structure deposition date
2022-06-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
4
% buried
84
Peptide accession
O94782
Residue number A
440
Residue number B
506
Peptide name
Ubiquitin carboxyl-terminal hydrolase 1

Ligandability

Cysteine 440 of Ubiquitin carboxyl-terminal hydrolase 1

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 506 of Ubiquitin carboxyl-terminal hydrolase 1

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 Ubiquitin carboxyl-terminal hydrolase 1 between cysteines 506 and 509.

Details

Redox score ?
83
PDB code
7ay1
Structure name
cryo-em structure of usp1-uaf1 bound to mono-ubiquitinated fancd2, and fanci
Structure deposition date
2020-11-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
56
Minimum pKa ?
6
% buried
71
Peptide accession
O94782
Residue number A
506
Residue number B
509
Peptide name
Ubiquitin carboxyl-terminal hydrolase 1

Ligandability

Cysteine 506 of Ubiquitin carboxyl-terminal hydrolase 1

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 509 of Ubiquitin carboxyl-terminal hydrolase 1

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 Ubiquitin carboxyl-terminal hydrolase 1 between cysteines 443 and 506.

Details

Redox score ?
65
PDB code
8a9j
Structure name
cryo-em structure of usp1-uaf1 bound to fanci and mono-ubiquitinated fancd2 without ml323 (consensus reconstruction)
Structure deposition date
2022-06-28
Thiol separation (Å)
3
Half-sphere exposure sum ?
64
Minimum pKa ?
14
% buried
nan
Peptide accession
O94782
Residue number A
443
Residue number B
506
Peptide name
Ubiquitin carboxyl-terminal hydrolase 1

Ligandability

Cysteine 443 of Ubiquitin carboxyl-terminal hydrolase 1

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 506 of Ubiquitin carboxyl-terminal hydrolase 1

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 Ubiquitin carboxyl-terminal hydrolase 1 between cysteines 440 and 443.

Details

Redox score ?
64
PDB code
7ay1
Structure name
cryo-em structure of usp1-uaf1 bound to mono-ubiquitinated fancd2, and fanci
Structure deposition date
2020-11-10
Thiol separation (Å)
3
Half-sphere exposure sum ?
61
Minimum pKa ?
14
% buried
nan
Peptide accession
O94782
Residue number A
440
Residue number B
443
Peptide name
Ubiquitin carboxyl-terminal hydrolase 1

Ligandability

Cysteine 440 of Ubiquitin carboxyl-terminal hydrolase 1

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 443 of Ubiquitin carboxyl-terminal hydrolase 1

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 Ubiquitin carboxyl-terminal hydrolase 1 between cysteines 440 and 509.

Details

Redox score ?
62
PDB code
7ay1
Structure name
cryo-em structure of usp1-uaf1 bound to mono-ubiquitinated fancd2, and fanci
Structure deposition date
2020-11-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
56
Minimum pKa ?
14
% buried
82
Peptide accession
O94782
Residue number A
440
Residue number B
509
Peptide name
Ubiquitin carboxyl-terminal hydrolase 1

Ligandability

Cysteine 440 of Ubiquitin carboxyl-terminal hydrolase 1

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 509 of Ubiquitin carboxyl-terminal hydrolase 1

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 Ubiquitin carboxyl-terminal hydrolase 1 between cysteines 443 and 509. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7ay1
Structure name
cryo-em structure of usp1-uaf1 bound to mono-ubiquitinated fancd2, and fanci
Structure deposition date
2020-11-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
23
% buried
nan
Peptide accession
O94782
Residue number A
443
Residue number B
509
Peptide name
Ubiquitin carboxyl-terminal hydrolase 1

Ligandability

Cysteine 443 of Ubiquitin carboxyl-terminal hydrolase 1

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 509 of Ubiquitin carboxyl-terminal hydrolase 1

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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