ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

ST14 protein

Intermolecular
Cysteine 397 and cysteine 42 of Trypsin inhibitor 1
Cysteine 368 and cysteine 42 of Trypsin inhibitor 1
Intramolecular
Cysteine 343 and cysteine 357
Cysteine 208 and cysteine 224
Cysteine 368 and cysteine 397
A redox-regulated disulphide may form between cysteine 397 of ST14 protein and cysteine 42 of Trypsin inhibitor 1 (220 and 3 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
3p8f
Structure name
crystal structure of mt-sp1 in complex with sfti-1
Structure deposition date
2010-10-13
Thiol separation (Å)
8
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide A name
ST14 protein
Peptide B name
Trypsin inhibitor 1
Peptide A accession
Q8WVC1
Peptide B accession
Q4GWU5
Peptide A residue number
397
Peptide B residue number
42

Ligandability

Cysteine 397 of ST14 protein

Cysteine 42 of Trypsin inhibitor 1

A redox-regulated disulphide may form between cysteine 368 of ST14 protein and cysteine 42 of Trypsin inhibitor 1 (191 and 3 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
3p8f
Structure name
crystal structure of mt-sp1 in complex with sfti-1
Structure deposition date
2010-10-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
93
Minimum pKa ?
nan
% buried
nan
Peptide A name
ST14 protein
Peptide B name
Trypsin inhibitor 1
Peptide A accession
Q8WVC1
Peptide B accession
Q4GWU5
Peptide A residue number
368
Peptide B residue number
42

Ligandability

Cysteine 368 of ST14 protein

Cysteine 42 of Trypsin inhibitor 1

A redox-regulated disulphide may form within ST14 protein between cysteines 343 and 357 (168 and 182 respectively in this structure).

Details

Redox score ?
80
PDB code
3p8g
Structure name
crystal structure of mt-sp1 in complex with benzamidine
Structure deposition date
2010-10-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WVC1
Residue number A
343
Residue number B
357
Peptide name
ST14 protein

Ligandability

Cysteine 343 of ST14 protein

Cysteine 357 of ST14 protein

A redox-regulated disulphide may form within ST14 protein between cysteines 208 and 224 (42 and 58 respectively in this structure).

Details

Redox score ?
77
PDB code
3p8f
Structure name
crystal structure of mt-sp1 in complex with sfti-1
Structure deposition date
2010-10-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
100
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WVC1
Residue number A
208
Residue number B
224
Peptide name
ST14 protein

Ligandability

Cysteine 208 of ST14 protein

Cysteine 224 of ST14 protein

A redox-regulated disulphide may form within ST14 protein between cysteines 368 and 397 (191 and 220 respectively in this structure).

Details

Redox score ?
76
PDB code
3p8f
Structure name
crystal structure of mt-sp1 in complex with sfti-1
Structure deposition date
2010-10-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
99
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WVC1
Residue number A
368
Residue number B
397
Peptide name
ST14 protein

Ligandability

Cysteine 368 of ST14 protein

Cysteine 397 of ST14 protein

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