HIV-1 gp120 core
Intramolecular
Cysteine 76 and cysteine 89
Cysteine 11 and cysteine 31
Cysteine 252 and cysteine 279
Cysteine 112 and cysteine 123
Cysteine 180 and cysteine 199
Cysteine 245 and cysteine 306
Cysteine 102 and cysteine 131
Cysteine 199 and cysteine 279
Cysteine 199 and cysteine 252
Cysteine 180 and cysteine 279
More...Cysteine 180 and cysteine 252
Cysteine 180 and cysteine 245
Cysteine 180 and cysteine 306
Cysteine 11 and cysteine 102
Cysteine 31 and cysteine 102
Cysteine 199 and cysteine 245
Cysteine 199 and cysteine 306
Cysteine 245 and cysteine 252
Cysteine 245 and cysteine 279
Cysteine 11 and cysteine 131
8fa0 A 119 A 205
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 76 and 89 (119 and 205 respectively in this structure).
Details
Redox score ?
87
PDB code
8fa0
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14208, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
76
Residue number B
89
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 76 of HIV-1 gp120 core
Cysteine 89 of HIV-1 gp120 core
8fa0 A 54 A 74
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 11 and 31 (54 and 74 respectively in this structure).
Details
Redox score ?
86
PDB code
8fa0
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14208, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
11
Residue number B
31
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 11 of HIV-1 gp120 core
Cysteine 31 of HIV-1 gp120 core
8f9z A 385 A 418
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 252 and 279 (385 and 418 respectively in this structure).
Details
Redox score ?
85
PDB code
8f9z
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14204, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
252
Residue number B
279
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 252 of HIV-1 gp120 core
Cysteine 279 of HIV-1 gp120 core
8fa0 A 228 A 239
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 112 and 123 (228 and 239 respectively in this structure).
Details
Redox score ?
85
PDB code
8fa0
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14208, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
112
Residue number B
123
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 112 of HIV-1 gp120 core
Cysteine 123 of HIV-1 gp120 core
8f9z A 296 A 331
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 180 and 199 (296 and 331 respectively in this structure).
Details
Redox score ?
84
PDB code
8f9z
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14204, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
180
Residue number B
199
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 180 of HIV-1 gp120 core
Cysteine 199 of HIV-1 gp120 core
8fa0 A 378 A 445
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 245 and 306 (378 and 445 respectively in this structure).
Details
Redox score ?
83
PDB code
8fa0
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14208, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
245
Residue number B
306
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 245 of HIV-1 gp120 core
Cysteine 306 of HIV-1 gp120 core
8fa0 A 218 A 247
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 102 and 131 (218 and 247 respectively in this structure).
Details
Redox score ?
81
PDB code
8fa0
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14208, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
102
Residue number B
131
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 102 of HIV-1 gp120 core
Cysteine 131 of HIV-1 gp120 core
8f9z A 331 A 418
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 199 and 279 (331 and 418 respectively in this structure).
Details
Redox score ?
78
PDB code
8f9z
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14204, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
3
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
199
Residue number B
279
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 199 of HIV-1 gp120 core
Cysteine 279 of HIV-1 gp120 core
8f9z A 331 A 385
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 199 and 252 (331 and 385 respectively in this structure).
Details
Redox score ?
76
PDB code
8f9z
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14204, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
3
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
199
Residue number B
252
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 199 of HIV-1 gp120 core
Cysteine 252 of HIV-1 gp120 core
8f9z A 296 A 418
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 180 and 279 (296 and 418 respectively in this structure).
Details
Redox score ?
69
PDB code
8f9z
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14204, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
5
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
180
Residue number B
279
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 180 of HIV-1 gp120 core
Cysteine 279 of HIV-1 gp120 core
8fa0 A 296 A 385
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 180 and 252 (296 and 385 respectively in this structure).
Details
Redox score ?
68
PDB code
8fa0
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14208, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
5
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
180
Residue number B
252
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 180 of HIV-1 gp120 core
Cysteine 252 of HIV-1 gp120 core
8f9z A 296 A 378
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 180 and 245 (296 and 378 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
55
PDB code
8f9z
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14204, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
180
Residue number B
245
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 180 of HIV-1 gp120 core
Cysteine 245 of HIV-1 gp120 core
8fa0 A 296 A 445
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 180 and 306 (296 and 445 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
8fa0
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14208, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
180
Residue number B
306
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 180 of HIV-1 gp120 core
Cysteine 306 of HIV-1 gp120 core
8f9z A 54 A 218
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 11 and 102 (54 and 218 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
47
PDB code
8f9z
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14204, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
11
Residue number B
102
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 11 of HIV-1 gp120 core
Cysteine 102 of HIV-1 gp120 core
8f9z A 74 A 218
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 31 and 102 (74 and 218 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
8f9z
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14204, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
31
Residue number B
102
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 31 of HIV-1 gp120 core
Cysteine 102 of HIV-1 gp120 core
8fa0 A 331 A 378
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 199 and 245 (331 and 378 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
8fa0
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14208, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
199
Residue number B
245
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 199 of HIV-1 gp120 core
Cysteine 245 of HIV-1 gp120 core
8fa0 A 331 A 445
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 199 and 306 (331 and 445 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
8fa0
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14208, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
199
Residue number B
306
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 199 of HIV-1 gp120 core
Cysteine 306 of HIV-1 gp120 core
8f9z A 378 A 385
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 245 and 252 (378 and 385 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
40
PDB code
8f9z
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14204, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
245
Residue number B
252
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 245 of HIV-1 gp120 core
Cysteine 252 of HIV-1 gp120 core
8f9z A 378 A 418
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 245 and 279 (378 and 418 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
8f9z
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14204, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
245
Residue number B
279
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 245 of HIV-1 gp120 core
Cysteine 279 of HIV-1 gp120 core
8fa0 A 54 A 247
A redox-regulated disulphide may form within HIV-1 gp120 core between cysteines 11 and 131 (54 and 247 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
8fa0
Structure name
crystal structure of clade a/e 93th057 hiv-1 gp120 core in complex with nbd-14208, an hiv-1 gp120 antagonist
Structure deposition date
2022-11-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0M3KKW8
Residue number A
11
Residue number B
131
Peptide name
HIV-1 gp120 core
Ligandability
Cysteine 11 of HIV-1 gp120 core
Cysteine 131 of HIV-1 gp120 core
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