ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

C-C chemokine receptor type 1

Intermolecular
Cysteine 53 of C-C motif chemokine 15 and cysteine 273
Cysteine 93 of C-C motif chemokine 15 and cysteine 24
Cysteine 54 of C-C motif chemokine 15 and cysteine 273
Cysteine 54 of C-C motif chemokine 15 and cysteine 24
Cysteine 53 of C-C motif chemokine 15 and cysteine 24
Cysteine 93 of C-C motif chemokine 15 and cysteine 273
Cysteine 77 of C-C motif chemokine 15 and cysteine 273
Cysteine 77 of C-C motif chemokine 15 and cysteine 24
Intramolecular
Cysteine 106 and cysteine 183
Cysteine 24 and cysteine 273
Cysteine 294 and cysteine 295
A redox-regulated disulphide may form between cysteine 53 of C-C motif chemokine 15 and cysteine 273 of C-C chemokine receptor type 1 (32 and 273 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7vl9
Structure name
cryo-em structure of the ccl15(26-92) bound ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 15
Peptide B name
C-C chemokine receptor type 1
Peptide A accession
Q16663
Peptide B accession
P32246
Peptide A residue number
53
Peptide B residue number
273

Ligandability

Cysteine 53 of C-C motif chemokine 15

Cysteine 273 of C-C chemokine receptor type 1

A redox-regulated disulphide may form between cysteine 93 of C-C motif chemokine 15 and cysteine 24 of C-C chemokine receptor type 1 (72 and 24 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
7vl9
Structure name
cryo-em structure of the ccl15(26-92) bound ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 15
Peptide B name
C-C chemokine receptor type 1
Peptide A accession
Q16663
Peptide B accession
P32246
Peptide A residue number
93
Peptide B residue number
24

Ligandability

Cysteine 93 of C-C motif chemokine 15

Cysteine 24 of C-C chemokine receptor type 1

A redox-regulated disulphide may form between cysteine 54 of C-C motif chemokine 15 and cysteine 273 of C-C chemokine receptor type 1 (33 and 273 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7vla
Structure name
cryo-em structure of the ccl15(27-92) bound ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 15
Peptide B name
C-C chemokine receptor type 1
Peptide A accession
Q16663
Peptide B accession
P32246
Peptide A residue number
54
Peptide B residue number
273

Ligandability

Cysteine 54 of C-C motif chemokine 15

Cysteine 273 of C-C chemokine receptor type 1

A redox-regulated disulphide may form between cysteine 54 of C-C motif chemokine 15 and cysteine 24 of C-C chemokine receptor type 1 (33 and 24 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
7vla
Structure name
cryo-em structure of the ccl15(27-92) bound ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 15
Peptide B name
C-C chemokine receptor type 1
Peptide A accession
Q16663
Peptide B accession
P32246
Peptide A residue number
54
Peptide B residue number
24

Ligandability

Cysteine 54 of C-C motif chemokine 15

Cysteine 24 of C-C chemokine receptor type 1

A redox-regulated disulphide may form between cysteine 53 of C-C motif chemokine 15 and cysteine 24 of C-C chemokine receptor type 1 (32 and 24 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7vla
Structure name
cryo-em structure of the ccl15(27-92) bound ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 15
Peptide B name
C-C chemokine receptor type 1
Peptide A accession
Q16663
Peptide B accession
P32246
Peptide A residue number
53
Peptide B residue number
24

Ligandability

Cysteine 53 of C-C motif chemokine 15

Cysteine 24 of C-C chemokine receptor type 1

A redox-regulated disulphide may form between cysteine 93 of C-C motif chemokine 15 and cysteine 273 of C-C chemokine receptor type 1 (72 and 273 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7vl9
Structure name
cryo-em structure of the ccl15(26-92) bound ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 15
Peptide B name
C-C chemokine receptor type 1
Peptide A accession
Q16663
Peptide B accession
P32246
Peptide A residue number
93
Peptide B residue number
273

Ligandability

Cysteine 93 of C-C motif chemokine 15

Cysteine 273 of C-C chemokine receptor type 1

A redox-regulated disulphide may form between cysteine 77 of C-C motif chemokine 15 and cysteine 273 of C-C chemokine receptor type 1 (56 and 273 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
7vl9
Structure name
cryo-em structure of the ccl15(26-92) bound ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 15
Peptide B name
C-C chemokine receptor type 1
Peptide A accession
Q16663
Peptide B accession
P32246
Peptide A residue number
77
Peptide B residue number
273

Ligandability

Cysteine 77 of C-C motif chemokine 15

Cysteine 273 of C-C chemokine receptor type 1

A redox-regulated disulphide may form between cysteine 77 of C-C motif chemokine 15 and cysteine 24 of C-C chemokine receptor type 1 (56 and 24 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7vla
Structure name
cryo-em structure of the ccl15(27-92) bound ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 15
Peptide B name
C-C chemokine receptor type 1
Peptide A accession
Q16663
Peptide B accession
P32246
Peptide A residue number
77
Peptide B residue number
24

Ligandability

Cysteine 77 of C-C motif chemokine 15

Cysteine 24 of C-C chemokine receptor type 1

A redox-regulated disulphide may form within C-C chemokine receptor type 1 between cysteines 106 and 183.

Details

Redox score ?
86
PDB code
7vl8
Structure name
cryo-em structure of the apo ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32246
Residue number A
106
Residue number B
183
Peptide name
C-C chemokine receptor type 1

Ligandability

Cysteine 106 of C-C chemokine receptor type 1

Cysteine 183 of C-C chemokine receptor type 1

A redox-regulated disulphide may form within C-C chemokine receptor type 1 between cysteines 24 and 273.

Details

Redox score ?
85
PDB code
7vla
Structure name
cryo-em structure of the ccl15(27-92) bound ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32246
Residue number A
24
Residue number B
273
Peptide name
C-C chemokine receptor type 1

Ligandability

Cysteine 24 of C-C chemokine receptor type 1

Cysteine 273 of C-C chemokine receptor type 1

A redox-regulated disulphide may form within C-C chemokine receptor type 1 between cysteines 294 and 295. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7vla
Structure name
cryo-em structure of the ccl15(27-92) bound ccr1-gi complex
Structure deposition date
2021-10-02
Thiol separation (Å)
7
Half-sphere exposure sum ?
82
Minimum pKa ?
11
% buried
79
Peptide accession
P32246
Residue number A
294
Residue number B
295
Peptide name
C-C chemokine receptor type 1

Ligandability

Cysteine 294 of C-C chemokine receptor type 1

Cysteine 295 of C-C chemokine receptor type 1

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