ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Solute carrier family 40 member 1

Intermolecular
Cysteine 82 of Hepcidin and cysteine 326
Cysteine 66 of Hepcidin and cysteine 326
Intramolecular
Cysteine 367 and cysteine 553
Cysteine 13 and cysteine 14
Cysteine 383 and cysteine 387
Cysteine 106 and cysteine 205
A redox-regulated disulphide may form between cysteine 82 of Hepcidin and cysteine 326 of Solute carrier family 40 member 1 (23 and 326 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
6wbv
Structure name
structure of human ferroportin bound to hepcidin and cobalt in lipid nanodisc
Structure deposition date
2020-03-27
Thiol separation (Å)
7
Half-sphere exposure sum ?
75
Minimum pKa ?
9
% buried
nan
Peptide A name
Hepcidin
Peptide B name
Solute carrier family 40 member 1
Peptide A accession
P81172
Peptide B accession
Q9NP59
Peptide A residue number
82
Peptide B residue number
326

Ligandability

Cysteine 82 of Hepcidin

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 326 of Solute carrier family 40 member 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 between cysteine 66 of Hepcidin and cysteine 326 of Solute carrier family 40 member 1 (7 and 326 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
6wbv
Structure name
structure of human ferroportin bound to hepcidin and cobalt in lipid nanodisc
Structure deposition date
2020-03-27
Thiol separation (Å)
8
Half-sphere exposure sum ?
78
Minimum pKa ?
9
% buried
nan
Peptide A name
Hepcidin
Peptide B name
Solute carrier family 40 member 1
Peptide A accession
P81172
Peptide B accession
Q9NP59
Peptide A residue number
66
Peptide B residue number
326

Ligandability

Cysteine 66 of Hepcidin

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 326 of Solute carrier family 40 member 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 Solute carrier family 40 member 1 between cysteines 367 and 553.

Details

Redox score ?
86
PDB code
8dl6
Structure name
cryo-em structure of human ferroportin/slc40 bound to ca2+ in nanodisc
Structure deposition date
2022-07-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NP59
Residue number A
367
Residue number B
553
Peptide name
Solute carrier family 40 member 1

Ligandability

Cysteine 367 of Solute carrier family 40 member 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 553 of Solute carrier family 40 member 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 Solute carrier family 40 member 1 between cysteines 13 and 14.

Details

Redox score ?
74
PDB code
8dl7
Structure name
cryo-em structure of human ferroportin/slc40 bound to minihepcidin pr73 in nanodisc
Structure deposition date
2022-07-07
Thiol separation (Å)
5
Half-sphere exposure sum ?
18
Minimum pKa ?
9
% buried
0
Peptide accession
Q9NP59
Residue number A
13
Residue number B
14
Peptide name
Solute carrier family 40 member 1

Ligandability

Cysteine 13 of Solute carrier family 40 member 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 14 of Solute carrier family 40 member 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 Solute carrier family 40 member 1 between cysteines 383 and 387. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6wbv
Structure name
structure of human ferroportin bound to hepcidin and cobalt in lipid nanodisc
Structure deposition date
2020-03-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
10
% buried
57
Peptide accession
Q9NP59
Residue number A
383
Residue number B
387
Peptide name
Solute carrier family 40 member 1

Ligandability

Cysteine 383 of Solute carrier family 40 member 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 387 of Solute carrier family 40 member 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 Solute carrier family 40 member 1 between cysteines 106 and 205. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
8dl7
Structure name
cryo-em structure of human ferroportin/slc40 bound to minihepcidin pr73 in nanodisc
Structure deposition date
2022-07-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
66
Peptide accession
Q9NP59
Residue number A
106
Residue number B
205
Peptide name
Solute carrier family 40 member 1

Ligandability

Cysteine 106 of Solute carrier family 40 member 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 205 of Solute carrier family 40 member 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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