a tool for identifying drug-targetable redox-active disulphides

Calcium homeostasis modulator protein 4

Intermolecular

Cysteine 83 and cysteine 209

Cysteine 209 and cysteine 82

Cysteine 205 and cysteine 82

Cysteine 83 and cysteine 210

Cysteine 83 and cysteine 205

Cysteine 210 and cysteine 82

A redox-regulated disulphide may form between two units of Calcium homeostasis modulator protein 4 at cysteines 83 and 209.

Details

Redox score ?

82

PDB code

Structure name

cryo-em structure of a dimer of undecameric human calhm4 in the absence of ca2+

Structure deposition date

2020-04-24

Thiol separation (Å)

4

Half-sphere exposure sum ?

nan

Minimum pK_a ?

9

% buried

0

Peptide A name

Calcium homeostasis modulator protein 4

Peptide B name

Calcium homeostasis modulator protein 4

Peptide A accession

Peptide B accession

Peptide A residue number

83

Peptide B residue number

209

Ligandability

Cysteine 83 of Calcium homeostasis modulator 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 209 of Calcium homeostasis modulator 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 between two units of Calcium homeostasis modulator protein 4 at cysteines 209 and 82.

Details

Redox score ?

66

PDB code

Structure name

cryo-em structure of a dimer of undecameric human calhm4 in the presence of ca2+

Structure deposition date

2020-04-24

Thiol separation (Å)

6

Half-sphere exposure sum ?

41

Minimum pK_a ?

10

% buried

0

Peptide A name

Calcium homeostasis modulator protein 4

Peptide B name

Calcium homeostasis modulator protein 4

Peptide A accession

Peptide B accession

Peptide A residue number

209

Peptide B residue number

82

Ligandability

Cysteine 209 of Calcium homeostasis modulator 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 82 of Calcium homeostasis modulator 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 between two units of Calcium homeostasis modulator protein 4 at cysteines 205 and 82.

Details

Redox score ?

65

PDB code

Structure name

cryo-em structure of a dimer of decameric human calhm4 in the absence of ca2+

Structure deposition date

2020-04-24

Thiol separation (Å)

7

Half-sphere exposure sum ?

39

Minimum pK_a ?

9

% buried

0

Peptide A name

Calcium homeostasis modulator protein 4

Peptide B name

Calcium homeostasis modulator protein 4

Peptide A accession

Peptide B accession

Peptide A residue number

205

Peptide B residue number

82

Ligandability

Cysteine 205 of Calcium homeostasis modulator 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 82 of Calcium homeostasis modulator 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 between two units of Calcium homeostasis modulator protein 4 at cysteines 83 and 210. 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

cryo-em structure of a dimer of undecameric human calhm4 in the presence of ca2+

Structure deposition date

2020-04-24

Thiol separation (Å)

8

Half-sphere exposure sum ?

nan

Minimum pK_a ?

9

% buried

0

Peptide A name

Calcium homeostasis modulator protein 4

Peptide B name

Calcium homeostasis modulator protein 4

Peptide A accession

Peptide B accession

Peptide A residue number

83

Peptide B residue number

210

Ligandability

Cysteine 83 of Calcium homeostasis modulator 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 210 of Calcium homeostasis modulator 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 between two units of Calcium homeostasis modulator protein 4 at cysteines 83 and 205. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

51

PDB code

Structure name

cryo-em structure of a dimer of undecameric human calhm4 in the presence of ca2+

Structure deposition date

2020-04-24

Thiol separation (Å)

10

Half-sphere exposure sum ?

nan

Minimum pK_a ?

8

% buried

0

Peptide A name

Calcium homeostasis modulator protein 4

Peptide B name

Calcium homeostasis modulator protein 4

Peptide A accession

Peptide B accession

Peptide A residue number

83

Peptide B residue number

205

Ligandability

Cysteine 83 of Calcium homeostasis modulator 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 205 of Calcium homeostasis modulator 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 between two units of Calcium homeostasis modulator protein 4 at cysteines 210 and 82. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

46

PDB code

Structure name

cryo-em structure of a dimer of decameric human calhm4 in the absence of ca2+

Structure deposition date

2020-04-24

Thiol separation (Å)

10

Half-sphere exposure sum ?

35

Minimum pK_a ?

9

% buried

0

Peptide A name

Calcium homeostasis modulator protein 4

Peptide B name

Calcium homeostasis modulator protein 4

Peptide A accession

Peptide B accession

Peptide A residue number

210

Peptide B residue number

82

Ligandability

Cysteine 210 of Calcium homeostasis modulator 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 82 of Calcium homeostasis modulator 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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