Neutrophil gelatinase-associated lipocalin
Intermolecular
Cysteine 107 and cysteine 107
Cysteine 73 of Hepcidin and cysteine 96
Cysteine 81 of Hepcidin and cysteine 96
Cysteine 73 of Hepcidin and cysteine 195
Cysteine 81 of Hepcidin and cysteine 195
Cysteine 82 of Hepcidin and cysteine 96
Cysteine 69 of Hepcidin and cysteine 96
Cysteine 72 of Hepcidin and cysteine 96
Intramolecular
Cysteine 96 and cysteine 195
5jr8 A 87 B 87
A redox-regulated disulphide may form between two units of Neutrophil gelatinase-associated lipocalin at cysteines 107 and 107 (87 and 87 respectively in this structure).
Details
Redox score ?
84
PDB code
5jr8
Structure name
disposal of iron by a mutant form of siderocalin ngal
Structure deposition date
2016-05-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
39
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil gelatinase-associated lipocalin
Peptide B name
Neutrophil gelatinase-associated lipocalin
Peptide A accession
P80188
Peptide B accession
P80188
Peptide A residue number
107
Peptide B residue number
107
Ligandability
4qae R 14 A 76
A redox-regulated disulphide may form between cysteine 73 of Hepcidin and cysteine 96 of Neutrophil gelatinase-associated lipocalin (14 and 76 respectively in this structure).
Details
Redox score ?
75
PDB code
4qae
Structure name
crystal structure of an engineered lipocalin (anticalin) in complex with human hepcidin
Structure deposition date
2014-05-04
Thiol separation (Å)
3
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide A name
Hepcidin
Peptide B name
Neutrophil gelatinase-associated lipocalin
Peptide A accession
P81172
Peptide B accession
P80188
Peptide A residue number
73
Peptide B residue number
96
Ligandability
Cysteine 73 of Hepcidin
Cysteine 96 of Neutrophil gelatinase-associated lipocalin
4qae S 22 F 76
A redox-regulated disulphide may form between cysteine 81 of Hepcidin and cysteine 96 of Neutrophil gelatinase-associated lipocalin (22 and 76 respectively in this structure).
Details
Redox score ?
66
PDB code
4qae
Structure name
crystal structure of an engineered lipocalin (anticalin) in complex with human hepcidin
Structure deposition date
2014-05-04
Thiol separation (Å)
5
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide A name
Hepcidin
Peptide B name
Neutrophil gelatinase-associated lipocalin
Peptide A accession
P81172
Peptide B accession
P80188
Peptide A residue number
81
Peptide B residue number
96
Ligandability
Cysteine 81 of Hepcidin
Cysteine 96 of Neutrophil gelatinase-associated lipocalin
4qae P 14 B 175
A redox-regulated disulphide may form between cysteine 73 of Hepcidin and cysteine 195 of Neutrophil gelatinase-associated lipocalin (14 and 175 respectively in this structure).
Details
Redox score ?
63
PDB code
4qae
Structure name
crystal structure of an engineered lipocalin (anticalin) in complex with human hepcidin
Structure deposition date
2014-05-04
Thiol separation (Å)
5
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide A name
Hepcidin
Peptide B name
Neutrophil gelatinase-associated lipocalin
Peptide A accession
P81172
Peptide B accession
P80188
Peptide A residue number
73
Peptide B residue number
195
Ligandability
Cysteine 73 of Hepcidin
Cysteine 195 of Neutrophil gelatinase-associated lipocalin
4qae S 22 F 175
A redox-regulated disulphide may form between cysteine 81 of Hepcidin and cysteine 195 of Neutrophil gelatinase-associated lipocalin (22 and 175 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
4qae
Structure name
crystal structure of an engineered lipocalin (anticalin) in complex with human hepcidin
Structure deposition date
2014-05-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide A name
Hepcidin
Peptide B name
Neutrophil gelatinase-associated lipocalin
Peptide A accession
P81172
Peptide B accession
P80188
Peptide A residue number
81
Peptide B residue number
195
Ligandability
Cysteine 81 of Hepcidin
Cysteine 195 of Neutrophil gelatinase-associated lipocalin
4qae S 23 F 76
A redox-regulated disulphide may form between cysteine 82 of Hepcidin and cysteine 96 of Neutrophil gelatinase-associated lipocalin (23 and 76 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
4qae
Structure name
crystal structure of an engineered lipocalin (anticalin) in complex with human hepcidin
Structure deposition date
2014-05-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide A name
Hepcidin
Peptide B name
Neutrophil gelatinase-associated lipocalin
Peptide A accession
P81172
Peptide B accession
P80188
Peptide A residue number
82
Peptide B residue number
96
Ligandability
Cysteine 82 of Hepcidin
Cysteine 96 of Neutrophil gelatinase-associated lipocalin
4qae P 10 B 76
A redox-regulated disulphide may form between cysteine 69 of Hepcidin and cysteine 96 of Neutrophil gelatinase-associated lipocalin (10 and 76 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
4qae
Structure name
crystal structure of an engineered lipocalin (anticalin) in complex with human hepcidin
Structure deposition date
2014-05-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide A name
Hepcidin
Peptide B name
Neutrophil gelatinase-associated lipocalin
Peptide A accession
P81172
Peptide B accession
P80188
Peptide A residue number
69
Peptide B residue number
96
Ligandability
Cysteine 69 of Hepcidin
Cysteine 96 of Neutrophil gelatinase-associated lipocalin
4qae S 13 F 76
A redox-regulated disulphide may form between cysteine 72 of Hepcidin and cysteine 96 of Neutrophil gelatinase-associated lipocalin (13 and 76 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
4qae
Structure name
crystal structure of an engineered lipocalin (anticalin) in complex with human hepcidin
Structure deposition date
2014-05-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide A name
Hepcidin
Peptide B name
Neutrophil gelatinase-associated lipocalin
Peptide A accession
P81172
Peptide B accession
P80188
Peptide A residue number
72
Peptide B residue number
96
Ligandability
Cysteine 72 of Hepcidin
Cysteine 96 of Neutrophil gelatinase-associated lipocalin
3hwd A 76 A 175
A redox-regulated disulphide may form within Neutrophil gelatinase-associated lipocalin between cysteines 96 and 195 (76 and 175 respectively in this structure).
Details
Redox score ?
86
PDB code
3hwd
Structure name
crystal structure of siderocalin (ngal, lipocalin 2) k125a-k134a mutant complexed with ferric enterobactin
Structure deposition date
2009-06-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
40
Minimum pKa ?
nan
% buried
nan
Peptide accession
P80188
Residue number A
96
Residue number B
195
Peptide name
Neutrophil gelatinase-associated lipocalin
Ligandability
Cysteine 96 of Neutrophil gelatinase-associated lipocalin
Cysteine 195 of Neutrophil gelatinase-associated lipocalin
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