ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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CD180 molecule

Intramolecular
Cysteine 583 and cysteine 625
Cysteine 28 and cysteine 39
Cysteine 337 and cysteine 365
Cysteine 581 and cysteine 607
Cysteine 387 and cysteine 388
Cysteine 272 and cysteine 296
Cysteine 388 and cysteine 419
Cysteine 387 and cysteine 419
A redox-regulated disulphide may form within CD180 molecule between cysteines 583 and 625.

Details

Redox score ?
90
PDB code
3rg1
Structure name
crystal structure of the rp105/md-1 complex
Structure deposition date
2011-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
A6QNK7
Residue number A
583
Residue number B
625
Peptide name
CD180 molecule

Ligandability

Cysteine 583 of CD180 molecule

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 625 of CD180 molecule

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 CD180 molecule between cysteines 28 and 39.

Details

Redox score ?
85
PDB code
3rg1
Structure name
crystal structure of the rp105/md-1 complex
Structure deposition date
2011-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
A6QNK7
Residue number A
28
Residue number B
39
Peptide name
CD180 molecule

Ligandability

Cysteine 28 of CD180 molecule

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 39 of CD180 molecule

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 CD180 molecule between cysteines 337 and 365.

Details

Redox score ?
84
PDB code
3rg1
Structure name
crystal structure of the rp105/md-1 complex
Structure deposition date
2011-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
A6QNK7
Residue number A
337
Residue number B
365
Peptide name
CD180 molecule

Ligandability

Cysteine 337 of CD180 molecule

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 365 of CD180 molecule

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 CD180 molecule between cysteines 581 and 607.

Details

Redox score ?
82
PDB code
3rg1
Structure name
crystal structure of the rp105/md-1 complex
Structure deposition date
2011-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
A6QNK7
Residue number A
581
Residue number B
607
Peptide name
CD180 molecule

Ligandability

Cysteine 581 of CD180 molecule

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 607 of CD180 molecule

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 CD180 molecule between cysteines 387 and 388.

Details

Redox score ?
82
PDB code
3rg1
Structure name
crystal structure of the rp105/md-1 complex
Structure deposition date
2011-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
A6QNK7
Residue number A
387
Residue number B
388
Peptide name
CD180 molecule

Ligandability

Cysteine 387 of CD180 molecule

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 388 of CD180 molecule

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 CD180 molecule between cysteines 272 and 296.

Details

Redox score ?
81
PDB code
3rg1
Structure name
crystal structure of the rp105/md-1 complex
Structure deposition date
2011-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
A6QNK7
Residue number A
272
Residue number B
296
Peptide name
CD180 molecule

Ligandability

Cysteine 272 of CD180 molecule

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 296 of CD180 molecule

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 CD180 molecule between cysteines 388 and 419. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
3rg1
Structure name
crystal structure of the rp105/md-1 complex
Structure deposition date
2011-04-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
12
% buried
nan
Peptide accession
A6QNK7
Residue number A
388
Residue number B
419
Peptide name
CD180 molecule

Ligandability

Cysteine 388 of CD180 molecule

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 419 of CD180 molecule

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 CD180 molecule between cysteines 387 and 419. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
3rg1
Structure name
crystal structure of the rp105/md-1 complex
Structure deposition date
2011-04-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
nan
Peptide accession
A6QNK7
Residue number A
387
Residue number B
419
Peptide name
CD180 molecule

Ligandability

Cysteine 387 of CD180 molecule

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 419 of CD180 molecule

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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