ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

CX3CL1 protein

Intermolecular
Cysteine 23 of Envelope protein US28 and cysteine 36
Cysteine 23 of Envelope protein US28 and cysteine 32
Cysteine 23 of Envelope protein US28 and cysteine 74
Intramolecular
Cysteine 32 and cysteine 58
Cysteine 36 and cysteine 74
Cysteine 36 and cysteine 58
Cysteine 32 and cysteine 36
Cysteine 58 and cysteine 74
Cysteine 32 and cysteine 74
A redox-regulated disulphide may form between cysteine 23 of Envelope protein US28 and cysteine 36 of CX3CL1 protein (23 and 12 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
5wb2
Structure name
us28 bound to engineered chemokine cx3cl1
Structure deposition date
2017-06-27
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide A name
Envelope protein US28
Peptide B name
CX3CL1 protein
Peptide A accession
Q80KM9
Peptide B accession
Q6I9S9
Peptide A residue number
23
Peptide B residue number
36

Ligandability

Cysteine 23 of Envelope protein US28

Cysteine 36 of CX3CL1 protein

A redox-regulated disulphide may form between cysteine 23 of Envelope protein US28 and cysteine 32 of CX3CL1 protein (23 and 8 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
5wb2
Structure name
us28 bound to engineered chemokine cx3cl1
Structure deposition date
2017-06-27
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide A name
Envelope protein US28
Peptide B name
CX3CL1 protein
Peptide A accession
Q80KM9
Peptide B accession
Q6I9S9
Peptide A residue number
23
Peptide B residue number
32

Ligandability

Cysteine 23 of Envelope protein US28

Cysteine 32 of CX3CL1 protein

A redox-regulated disulphide may form between cysteine 23 of Envelope protein US28 and cysteine 74 of CX3CL1 protein (23 and 50 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
5wb2
Structure name
us28 bound to engineered chemokine cx3cl1
Structure deposition date
2017-06-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide A name
Envelope protein US28
Peptide B name
CX3CL1 protein
Peptide A accession
Q80KM9
Peptide B accession
Q6I9S9
Peptide A residue number
23
Peptide B residue number
74

Ligandability

Cysteine 23 of Envelope protein US28

Cysteine 74 of CX3CL1 protein

A redox-regulated disulphide may form within CX3CL1 protein between cysteines 32 and 58 (8 and 34 respectively in this structure).

Details

Redox score ?
91
PDB code
3ona
Structure name
the secret domain in complex with cx3cl1
Structure deposition date
2010-08-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6I9S9
Residue number A
32
Residue number B
58
Peptide name
CX3CL1 protein

Ligandability

Cysteine 32 of CX3CL1 protein

Cysteine 58 of CX3CL1 protein

A redox-regulated disulphide may form within CX3CL1 protein between cysteines 36 and 74 (12 and 50 respectively in this structure).

Details

Redox score ?
81
PDB code
5wb2
Structure name
us28 bound to engineered chemokine cx3cl1
Structure deposition date
2017-06-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6I9S9
Residue number A
36
Residue number B
74
Peptide name
CX3CL1 protein

Ligandability

Cysteine 36 of CX3CL1 protein

Cysteine 74 of CX3CL1 protein

A redox-regulated disulphide may form within CX3CL1 protein between cysteines 36 and 58 (12 and 34 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
3ona
Structure name
the secret domain in complex with cx3cl1
Structure deposition date
2010-08-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6I9S9
Residue number A
36
Residue number B
58
Peptide name
CX3CL1 protein

Ligandability

Cysteine 36 of CX3CL1 protein

Cysteine 58 of CX3CL1 protein

A redox-regulated disulphide may form within CX3CL1 protein between cysteines 32 and 36 (8 and 12 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
3ona
Structure name
the secret domain in complex with cx3cl1
Structure deposition date
2010-08-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6I9S9
Residue number A
32
Residue number B
36
Peptide name
CX3CL1 protein

Ligandability

Cysteine 32 of CX3CL1 protein

Cysteine 36 of CX3CL1 protein

A redox-regulated disulphide may form within CX3CL1 protein between cysteines 58 and 74 (34 and 50 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
3ona
Structure name
the secret domain in complex with cx3cl1
Structure deposition date
2010-08-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6I9S9
Residue number A
58
Residue number B
74
Peptide name
CX3CL1 protein

Ligandability

Cysteine 58 of CX3CL1 protein

Cysteine 74 of CX3CL1 protein

A redox-regulated disulphide may form within CX3CL1 protein between cysteines 32 and 74 (8 and 50 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
3ona
Structure name
the secret domain in complex with cx3cl1
Structure deposition date
2010-08-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6I9S9
Residue number A
32
Residue number B
74
Peptide name
CX3CL1 protein

Ligandability

Cysteine 32 of CX3CL1 protein

Cysteine 74 of CX3CL1 protein

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