Atypical chemokine receptor 3
Intermolecular
Cysteine 34 and cysteine 55 of Stromal cell-derived factor 1
Intramolecular
Cysteine 117 and cysteine 196
Cysteine 34 and cysteine 287
Cysteine 81 and cysteine 165
Cysteine 308 and cysteine 309
Cysteine 137 and cysteine 165
Cysteine 264 and cysteine 308
Cysteine 264 and cysteine 309
Cysteine 302 and cysteine 309
7sk4 A 34 B 34
A redox-regulated disulphide may form between cysteine 34 of Atypical chemokine receptor 3 and cysteine 55 of Stromal cell-derived factor 1 (34 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 ?
39
PDB code
7sk4
Structure name
cryo-em structure of ackr3 in complex with chemokine n-terminal mutant cxcl12_lrhq, an intracellular fab, and an extracellular fab
Structure deposition date
2021-10-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
67
Minimum pKa ?
12
% buried
nan
Peptide A name
Atypical chemokine receptor 3
Peptide B name
Stromal cell-derived factor 1
Peptide A accession
P25106
Peptide B accession
P48061
Peptide A residue number
34
Peptide B residue number
55
Ligandability
Cysteine 34 of Atypical chemokine receptor 3
Cysteine 55 of Stromal cell-derived factor 1
7sk8 A 117 A 196
A redox-regulated disulphide may form within Atypical chemokine receptor 3 between cysteines 117 and 196.
Details
Redox score ?
84
PDB code
7sk8
Structure name
cryo-em structure of human ackr3 in complex with cxcl12, a small molecule partial agonist ccx662, an extracellular fab, and an intracellular fab
Structure deposition date
2021-10-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P25106
Residue number A
117
Residue number B
196
Peptide name
Atypical chemokine receptor 3
Ligandability
Cysteine 117 of Atypical chemokine receptor 3
Cysteine 196 of Atypical chemokine receptor 3
7sk8 A 34 A 287
A redox-regulated disulphide may form within Atypical chemokine receptor 3 between cysteines 34 and 287.
Details
Redox score ?
77
PDB code
7sk8
Structure name
cryo-em structure of human ackr3 in complex with cxcl12, a small molecule partial agonist ccx662, an extracellular fab, and an intracellular fab
Structure deposition date
2021-10-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
9
% buried
39
Peptide accession
P25106
Residue number A
34
Residue number B
287
Peptide name
Atypical chemokine receptor 3
Ligandability
Cysteine 34 of Atypical chemokine receptor 3
Cysteine 287 of Atypical chemokine receptor 3
7sk3 A 81 A 165
A redox-regulated disulphide may form within Atypical chemokine receptor 3 between cysteines 81 and 165. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
52
PDB code
7sk3
Structure name
cryo-em structure of ackr3 in complex with cxcl12, an intracellular fab, and an extracellular fab
Structure deposition date
2021-10-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
75
Peptide accession
P25106
Residue number A
81
Residue number B
165
Peptide name
Atypical chemokine receptor 3
Ligandability
Cysteine 81 of Atypical chemokine receptor 3
Cysteine 165 of Atypical chemokine receptor 3
7sk3 A 308 A 309
A redox-regulated disulphide may form within Atypical chemokine receptor 3 between cysteines 308 and 309. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
41
PDB code
7sk3
Structure name
cryo-em structure of ackr3 in complex with cxcl12, an intracellular fab, and an extracellular fab
Structure deposition date
2021-10-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
86
Minimum pKa ?
11
% buried
88
Peptide accession
P25106
Residue number A
308
Residue number B
309
Peptide name
Atypical chemokine receptor 3
Ligandability
Cysteine 308 of Atypical chemokine receptor 3
Cysteine 309 of Atypical chemokine receptor 3
7sk6 A 137 A 165
A redox-regulated disulphide may form within Atypical chemokine receptor 3 between cysteines 137 and 165. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
37
PDB code
7sk6
Structure name
cryo-em structure of human ackr3 in complex with chemokine n-terminal mutant cxcl12_lrhq and an intracellular fab
Structure deposition date
2021-10-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
60
Peptide accession
P25106
Residue number A
137
Residue number B
165
Peptide name
Atypical chemokine receptor 3
Ligandability
Cysteine 137 of Atypical chemokine receptor 3
Cysteine 165 of Atypical chemokine receptor 3
7sk7 A 264 A 308
A redox-regulated disulphide may form within Atypical chemokine receptor 3 between cysteines 264 and 308. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
36
PDB code
7sk7
Structure name
cryo-em structure of human ackr3 in complex with cxcl12, a small molecule partial agonist ccx662, and an extracellular fab
Structure deposition date
2021-10-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
84
Peptide accession
P25106
Residue number A
264
Residue number B
308
Peptide name
Atypical chemokine receptor 3
Ligandability
Cysteine 264 of Atypical chemokine receptor 3
Cysteine 308 of Atypical chemokine receptor 3
7sk6 A 264 A 309
A redox-regulated disulphide may form within Atypical chemokine receptor 3 between cysteines 264 and 309. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
32
PDB code
7sk6
Structure name
cryo-em structure of human ackr3 in complex with chemokine n-terminal mutant cxcl12_lrhq and an intracellular fab
Structure deposition date
2021-10-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
67
Minimum pKa ?
11
% buried
67
Peptide accession
P25106
Residue number A
264
Residue number B
309
Peptide name
Atypical chemokine receptor 3
Ligandability
Cysteine 264 of Atypical chemokine receptor 3
Cysteine 309 of Atypical chemokine receptor 3
7sk8 A 302 A 309
A redox-regulated disulphide may form within Atypical chemokine receptor 3 between cysteines 302 and 309. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
31
PDB code
7sk8
Structure name
cryo-em structure of human ackr3 in complex with cxcl12, a small molecule partial agonist ccx662, an extracellular fab, and an intracellular fab
Structure deposition date
2021-10-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
76
Peptide accession
P25106
Residue number A
302
Residue number B
309
Peptide name
Atypical chemokine receptor 3
Ligandability
Cysteine 302 of Atypical chemokine receptor 3
Cysteine 309 of Atypical chemokine receptor 3
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