ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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B-cell lymphoma/leukemia 11A

Intramolecular
Cysteine 802 and cysteine 805
Cysteine 772 and cysteine 775
Cysteine 744 and cysteine 747
Cysteine 772 and cysteine 779
Cysteine 775 and cysteine 805
Cysteine 775 and cysteine 779
A redox-regulated disulphide may form within B-cell lymphoma/leukemia 11A between cysteines 802 and 805.

Details

Redox score ?
94
PDB code
8dtn
Structure name
the complex of nanobody 6101 with bcl11a zf6
Structure deposition date
2022-07-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
56
Minimum pKa ?
0
% buried
60
Peptide accession
Q9H165
Residue number A
802
Residue number B
805
Peptide name
B-cell lymphoma/leukemia 11A

Ligandability

Cysteine 802 of B-cell lymphoma/leukemia 11A

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 805 of B-cell lymphoma/leukemia 11A

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 B-cell lymphoma/leukemia 11A between cysteines 772 and 775.

Details

Redox score ?
88
PDB code
6u9q
Structure name
crystal structure analysis of dna-bcl11a znf domain complex
Structure deposition date
2019-09-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
5
% buried
36
Peptide accession
Q9H165
Residue number A
772
Residue number B
775
Peptide name
B-cell lymphoma/leukemia 11A

Ligandability

Cysteine 772 of B-cell lymphoma/leukemia 11A

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 775 of B-cell lymphoma/leukemia 11A

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 B-cell lymphoma/leukemia 11A between cysteines 744 and 747.

Details

Redox score ?
86
PDB code
6u9q
Structure name
crystal structure analysis of dna-bcl11a znf domain complex
Structure deposition date
2019-09-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
41
Minimum pKa ?
6
% buried
0
Peptide accession
Q9H165
Residue number A
744
Residue number B
747
Peptide name
B-cell lymphoma/leukemia 11A

Ligandability

Cysteine 744 of B-cell lymphoma/leukemia 11A

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 747 of B-cell lymphoma/leukemia 11A

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 B-cell lymphoma/leukemia 11A between cysteines 772 and 779. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
6u9q
Structure name
crystal structure analysis of dna-bcl11a znf domain complex
Structure deposition date
2019-09-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
49
Minimum pKa ?
9
% buried
42
Peptide accession
Q9H165
Residue number A
772
Residue number B
779
Peptide name
B-cell lymphoma/leukemia 11A

Ligandability

Cysteine 772 of B-cell lymphoma/leukemia 11A

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 779 of B-cell lymphoma/leukemia 11A

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 B-cell lymphoma/leukemia 11A between cysteines 775 and 805. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
6ki6
Structure name
crystal structure of bcl11a in complex with gamma-globin -115 hpfh region
Structure deposition date
2019-07-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
39
Minimum pKa ?
7
% buried
36
Peptide accession
Q9H165
Residue number A
775
Residue number B
805
Peptide name
B-cell lymphoma/leukemia 11A

Ligandability

Cysteine 775 of B-cell lymphoma/leukemia 11A

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 805 of B-cell lymphoma/leukemia 11A

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 B-cell lymphoma/leukemia 11A between cysteines 775 and 779. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
6ki6
Structure name
crystal structure of bcl11a in complex with gamma-globin -115 hpfh region
Structure deposition date
2019-07-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
40
Minimum pKa ?
9
% buried
24
Peptide accession
Q9H165
Residue number A
775
Residue number B
779
Peptide name
B-cell lymphoma/leukemia 11A

Ligandability

Cysteine 775 of B-cell lymphoma/leukemia 11A

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 779 of B-cell lymphoma/leukemia 11A

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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