Inhibitor of nuclear factor kappa-B kinase subunit beta
Intermolecular
Cysteine 662 and cysteine 662
Cysteine 716 and cysteine 76 of NF-kappa-B essential modulator
Cysteine 716 and cysteine 716
Intramolecular
Cysteine 114 and cysteine 115
Cysteine 46 and cysteine 59
Cysteine 115 and cysteine 412
4e3c A 662 F 662
A redox-regulated disulphide may form between two units of Inhibitor of nuclear factor kappa-B kinase subunit beta at cysteines 662 and 662.
Details
Redox score ?
68
PDB code
4e3c
Structure name
x-ray crystal structure of human ikk2 in an active conformation
Structure deposition date
2012-03-09
Thiol separation (Å)
6
Half-sphere exposure sum ?
49
Minimum pKa ?
10
% buried
14
Peptide A name
Inhibitor of nuclear factor kappa-B kinase subunit beta
Peptide B name
Inhibitor of nuclear factor kappa-B kinase subunit beta
Peptide A accession
O14920
Peptide B accession
O14920
Peptide A residue number
662
Peptide B residue number
662
Ligandability
3brv A 716 D 76
A redox-regulated disulphide may form between cysteine 716 of Inhibitor of nuclear factor kappa-B kinase subunit beta and cysteine 76 of NF-kappa-B essential modulator. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
43
PDB code
3brv
Structure name
nemo/ikkb association domain structure
Structure deposition date
2007-12-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
54
Peptide A name
Inhibitor of nuclear factor kappa-B kinase subunit beta
Peptide B name
NF-kappa-B essential modulator
Peptide A accession
O14920
Peptide B accession
Q9Y6K9
Peptide A residue number
716
Peptide B residue number
76
Ligandability
Cysteine 716 of Inhibitor of nuclear factor kappa-B kinase subunit beta
Cysteine 76 of NF-kappa-B essential modulator
3brv A 716 C 716
A redox-regulated disulphide may form between two units of Inhibitor of nuclear factor kappa-B kinase subunit beta at cysteines 716 and 716. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
39
PDB code
3brv
Structure name
nemo/ikkb association domain structure
Structure deposition date
2007-12-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
65
Peptide A name
Inhibitor of nuclear factor kappa-B kinase subunit beta
Peptide B name
Inhibitor of nuclear factor kappa-B kinase subunit beta
Peptide A accession
O14920
Peptide B accession
O14920
Peptide A residue number
716
Peptide B residue number
716
Ligandability
4e3c A 114 A 115
A redox-regulated disulphide may form within Inhibitor of nuclear factor kappa-B kinase subunit beta between cysteines 114 and 115.
Details
Redox score ?
75
PDB code
4e3c
Structure name
x-ray crystal structure of human ikk2 in an active conformation
Structure deposition date
2012-03-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
78
Minimum pKa ?
6
% buried
96
Peptide accession
O14920
Residue number A
114
Residue number B
115
Peptide name
Inhibitor of nuclear factor kappa-B kinase subunit beta
Ligandability
Cysteine 114 of Inhibitor of nuclear factor kappa-B kinase subunit beta
Cysteine 115 of Inhibitor of nuclear factor kappa-B kinase subunit beta
4kik B 46 B 59
A redox-regulated disulphide may form within Inhibitor of nuclear factor kappa-B kinase subunit beta 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 ?
45
PDB code
4kik
Structure name
human ikb kinase beta
Structure deposition date
2013-05-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
58
Minimum pKa ?
10
% buried
18
Peptide accession
O14920
Residue number A
46
Residue number B
59
Peptide name
Inhibitor of nuclear factor kappa-B kinase subunit beta
Ligandability
Cysteine 46 of Inhibitor of nuclear factor kappa-B kinase subunit beta
Cysteine 59 of Inhibitor of nuclear factor kappa-B kinase subunit beta
4e3c B 115 B 412
A redox-regulated disulphide may form within Inhibitor of nuclear factor kappa-B kinase subunit beta between cysteines 115 and 412. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
32
PDB code
4e3c
Structure name
x-ray crystal structure of human ikk2 in an active conformation
Structure deposition date
2012-03-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
12
% buried
90
Peptide accession
O14920
Residue number A
115
Residue number B
412
Peptide name
Inhibitor of nuclear factor kappa-B kinase subunit beta
Ligandability
Cysteine 115 of Inhibitor of nuclear factor kappa-B kinase subunit beta
Cysteine 412 of Inhibitor of nuclear factor kappa-B kinase subunit beta
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