ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Protein phosphatase 3 catalytic subunit alpha

Intermolecular
Cysteine 336 and cysteine 216 of Calcipressin-1
Cysteine 336 and cysteine 213 of IkB-like protein
Intramolecular
Cysteine 228 and cysteine 256
Cysteine 166 and cysteine 178
Cysteine 153 and cysteine 256
Cysteine 153 and cysteine 228
A redox-regulated disulphide may form between cysteine 336 of Protein phosphatase 3 catalytic subunit alpha and cysteine 216 of Calcipressin-1 (336 and 161 respectively in this structure).

Details

Redox score ?
94
PDB code
6uuq
Structure name
structure of calcineurin bound to rcan1
Structure deposition date
2019-10-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Protein phosphatase 3 catalytic subunit alpha
Peptide B name
Calcipressin-1
Peptide A accession
Q08209
Peptide B accession
P53805
Peptide A residue number
336
Peptide B residue number
216

Ligandability

Cysteine 336 of Protein phosphatase 3 catalytic subunit alpha

Cysteine 216 of Calcipressin-1

A redox-regulated disulphide may form between cysteine 336 of Protein phosphatase 3 catalytic subunit alpha and cysteine 213 of IkB-like protein. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
4f0z
Structure name
crystal structure of calcineurin in complex with the calcineurin- inhibiting domain of the african swine fever virus protein a238l
Structure deposition date
2012-05-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
39
Peptide A name
Protein phosphatase 3 catalytic subunit alpha
Peptide B name
IkB-like protein
Peptide A accession
Q08209
Peptide B accession
O36972
Peptide A residue number
336
Peptide B residue number
213

Ligandability

Cysteine 336 of Protein phosphatase 3 catalytic subunit alpha

Cysteine 213 of IkB-like protein

A redox-regulated disulphide may form within Protein phosphatase 3 catalytic subunit alpha between cysteines 228 and 256.

Details

Redox score ?
67
PDB code
4orb
Structure name
crystal structure of mouse calcineurin
Structure deposition date
2014-02-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
71
Minimum pKa ?
8
% buried
74
Peptide accession
P63328
Residue number A
228
Residue number B
256
Peptide name
Protein phosphatase 3 catalytic subunit alpha

Ligandability

Cysteine 228 of Protein phosphatase 3 catalytic subunit alpha

Cysteine 256 of Protein phosphatase 3 catalytic subunit alpha

A redox-regulated disulphide may form within Protein phosphatase 3 catalytic subunit alpha between cysteines 166 and 178.

Details

Redox score ?
64
PDB code
2p6b
Structure name
crystal structure of human calcineurin in complex with pvivit peptide
Structure deposition date
2007-03-16
Thiol separation (Å)
5
Half-sphere exposure sum ?
76
Minimum pKa ?
9
% buried
100
Peptide accession
Q08209
Residue number A
166
Residue number B
178
Peptide name
Protein phosphatase 3 catalytic subunit alpha

Ligandability

Cysteine 166 of Protein phosphatase 3 catalytic subunit alpha

Cysteine 178 of Protein phosphatase 3 catalytic subunit alpha

A redox-regulated disulphide may form within Protein phosphatase 3 catalytic subunit alpha between cysteines 153 and 256. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
3ll8
Structure name
crystal structure of calcineurin in complex with akap79 peptide
Structure deposition date
2010-01-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
74
Minimum pKa ?
9
% buried
98
Peptide accession
Q08209
Residue number A
153
Residue number B
256
Peptide name
Protein phosphatase 3 catalytic subunit alpha

Ligandability

Cysteine 153 of Protein phosphatase 3 catalytic subunit alpha

Cysteine 256 of Protein phosphatase 3 catalytic subunit alpha

A redox-regulated disulphide may form within Protein phosphatase 3 catalytic subunit alpha between cysteines 153 and 228. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
6nuf
Structure name
structure of calcineurin in complex with nhe1 peptide
Structure deposition date
2019-01-31
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
78
Peptide accession
Q08209
Residue number A
153
Residue number B
228
Peptide name
Protein phosphatase 3 catalytic subunit alpha

Ligandability

Cysteine 153 of Protein phosphatase 3 catalytic subunit alpha

Cysteine 228 of Protein phosphatase 3 catalytic subunit alpha

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