Inhibitor of nuclear factor kappa-B kinase subunit alpha
Intermolecular
Cysteine 658 and cysteine 658
Cysteine 114 and cysteine 76 of NF-kappa-B essential modulator
Cysteine 114 and cysteine 114
Intramolecular
Cysteine 113 and cysteine 114
Cysteine 265 and cysteine 379
Cysteine 46 and cysteine 59 L
Cysteine 245 and cysteine 406 L
Cysteine 114 and cysteine 406 L
5ebz C 658 D 658
A redox-regulated disulphide may form between two units of Inhibitor of nuclear factor kappa-B kinase subunit alpha at cysteines 658 and 658. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
54
PDB code
5ebz
Structure name
crystal structure of human ikk1
Structure deposition date
2015-10-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
46
Minimum pKa ?
10
% buried
19
Peptide A name
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Peptide B name
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Peptide A accession
O15111
Peptide B accession
O15111
Peptide A residue number
658
Peptide B residue number
658
Ligandability
3brt A 716 D 76
A redox-regulated disulphide may form between cysteine 114 of Inhibitor of nuclear factor kappa-B kinase subunit alpha and cysteine 76 of NF-kappa-B essential modulator (716 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 ?
41
PDB code
3brt
Structure name
nemo/ikk association domain structure
Structure deposition date
2007-12-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
58
Peptide A name
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Peptide B name
NF-kappa-B essential modulator
Peptide A accession
O15111
Peptide B accession
Q9Y6K9
Peptide A residue number
114
Peptide B residue number
76
Ligandability
Cysteine 114 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
Cysteine 76 of NF-kappa-B essential modulator
3brt A 716 C 716
A redox-regulated disulphide may form between two units of Inhibitor of nuclear factor kappa-B kinase subunit alpha at cysteines 114 and 114 (716 and 716 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
3brt
Structure name
nemo/ikk association domain structure
Structure deposition date
2007-12-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
62
Peptide A name
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Peptide B name
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Peptide A accession
O15111
Peptide B accession
O15111
Peptide A residue number
114
Peptide B residue number
114
Ligandability
5ebz H 113 H 114
A redox-regulated disulphide may form within Inhibitor of nuclear factor kappa-B kinase subunit alpha between cysteines 113 and 114.
Details
Redox score ?
74
PDB code
5ebz
Structure name
crystal structure of human ikk1
Structure deposition date
2015-10-20
Thiol separation (Å)
3
Half-sphere exposure sum ?
76
Minimum pKa ?
8
% buried
100
Peptide accession
O15111
Residue number A
113
Residue number B
114
Peptide name
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Ligandability
Cysteine 113 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
Cysteine 114 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
5ebz K 265 K 379
A redox-regulated disulphide may form within Inhibitor of nuclear factor kappa-B kinase subunit alpha between cysteines 265 and 379. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
48
PDB code
5ebz
Structure name
crystal structure of human ikk1
Structure deposition date
2015-10-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
8
% buried
62
Peptide accession
O15111
Residue number A
265
Residue number B
379
Peptide name
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Ligandability
Cysteine 265 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
Cysteine 379 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
5ebz F 46 F 59
A redox-regulated disulphide may form within Inhibitor of nuclear factor kappa-B kinase subunit alpha between cysteines 46 and 59. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
44
PDB code
5ebz
Structure name
crystal structure of human ikk1
Structure deposition date
2015-10-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
10
% buried
48
Peptide accession
O15111
Residue number A
46
Residue number B
59
Peptide name
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Ligandability
Cysteine 46 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
Cysteine 59 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
5tqy A 245 A 406
A redox-regulated disulphide may form within Inhibitor of nuclear factor kappa-B kinase subunit alpha between cysteines 245 and 406. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
41
PDB code
5tqy
Structure name
cryoem reconstruction of human ikk1, closed conformation 3
Structure deposition date
2016-10-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
52
Minimum pKa ?
10
% buried
36
Peptide accession
O15111
Residue number A
245
Residue number B
406
Peptide name
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Ligandability
Cysteine 245 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
Cysteine 406 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
5ebz B 114 B 406
A redox-regulated disulphide may form within Inhibitor of nuclear factor kappa-B kinase subunit alpha between cysteines 114 and 406. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
33
PDB code
5ebz
Structure name
crystal structure of human ikk1
Structure deposition date
2015-10-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
13
% buried
86
Peptide accession
O15111
Residue number A
114
Residue number B
406
Peptide name
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Ligandability
Cysteine 114 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
Cysteine 406 of Inhibitor of nuclear factor kappa-B kinase subunit alpha
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