a tool for identifying drug-targetable redox-active disulphides

NLR family CARD domain-containing protein 4

Intramolecular

Cysteine 42 and cysteine 43

Cysteine 830 and cysteine 831

Cysteine 283 and cysteine 428

Cysteine 495 and cysteine 557

A redox-regulated disulphide may form within NLR family CARD domain-containing protein 4 between cysteines 42 and 43. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

57

PDB code

Structure name

structure of nlrc4 card filament

Structure deposition date

2019-06-12

Thiol separation (Å)

7

Half-sphere exposure sum ?

46

Minimum pK_a ?

9

% buried

29

Peptide accession

Residue number A

42

Residue number B

43

Peptide name

NLR family CARD domain-containing protein 4

Ligandability

Cysteine 42 of NLR family CARD domain-containing protein 4

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 43 of NLR family CARD domain-containing protein 4

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within NLR family CARD domain-containing protein 4 between cysteines 830 and 831. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

44

PDB code

Structure name

crystal structure of nlrc4 reveals its autoinhibition mechanism

Structure deposition date

2013-05-25

Thiol separation (Å)

7

Half-sphere exposure sum ?

86

Minimum pK_a ?

11

% buried

96

Peptide accession

Residue number A

830

Residue number B

831

Peptide name

NLR family CARD domain-containing protein 4

Ligandability

Cysteine 830 of NLR family CARD domain-containing protein 4

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 831 of NLR family CARD domain-containing protein 4

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within NLR family CARD domain-containing protein 4 between cysteines 283 and 428. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

38

PDB code

Structure name

cryo-em structure of the activated naip2/nlrc4 inflammasome reveals nucleated polymerization

Structure deposition date

2015-09-05

Thiol separation (Å)

9

Half-sphere exposure sum ?

66

Minimum pK_a ?

11

% buried

80

Peptide accession

Residue number A

283

Residue number B

428

Peptide name

NLR family CARD domain-containing protein 4

Ligandability

Cysteine 283 of NLR family CARD domain-containing protein 4

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 428 of NLR family CARD domain-containing protein 4

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within NLR family CARD domain-containing protein 4 between cysteines 495 and 557. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

31

PDB code

Structure name

crystal structure of nlrc4 reveals its autoinhibition mechanism

Structure deposition date

2013-05-25

Thiol separation (Å)

8

Half-sphere exposure sum ?

85

Minimum pK_a ?

12

% buried

100

Peptide accession

Residue number A

495

Residue number B

557

Peptide name

NLR family CARD domain-containing protein 4

Ligandability

Cysteine 495 of NLR family CARD domain-containing protein 4

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 557 of NLR family CARD domain-containing protein 4

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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