ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nucleus accumbens-associated protein 1

Intramolecular
Cysteine 416 and cysteine 464 L
Cysteine 156 and cysteine 19
Cysteine 387 and cysteine 444
Cysteine 355 and cysteine 444
Cysteine 355 and cysteine 387
Cysteine 30 and cysteine 26
A redox-regulated disulphide may form within Nucleus accumbens-associated protein 1 between cysteines 416 and 464. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7bv9
Structure name
the nmr structure of the ben domain from human nac1
Structure deposition date
2020-04-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
44
Minimum pKa ?
9
% buried
6
Peptide accession
Q96RE7
Residue number A
416
Residue number B
464
Peptide name
Nucleus accumbens-associated protein 1

Ligandability

Cysteine 416 of Nucleus accumbens-associated protein 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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 464 of Nucleus accumbens-associated protein 1

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 Nucleus accumbens-associated protein 1 between cysteines 156 and 19 (45 and 145 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
4u2n
Structure name
crystal structure of a complex of the miz1- and nac1 poz domains
Structure deposition date
2014-07-17
Thiol separation (Å)
8
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
68
Peptide accession
Q96RE7
Residue number A
156
Residue number B
19
Peptide name
Nucleus accumbens-associated protein 1

Ligandability

Cysteine 156 of Nucleus accumbens-associated protein 1

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 19 of Nucleus accumbens-associated protein 1

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.

Uncertain whether structure cysteine 45 has been assigned to correct residue.
A redox-regulated disulphide may form within Nucleus accumbens-associated protein 1 between cysteines 387 and 444. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7bv9
Structure name
the nmr structure of the ben domain from human nac1
Structure deposition date
2020-04-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
80
Peptide accession
Q96RE7
Residue number A
387
Residue number B
444
Peptide name
Nucleus accumbens-associated protein 1

Ligandability

Cysteine 387 of Nucleus accumbens-associated protein 1

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 444 of Nucleus accumbens-associated protein 1

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 Nucleus accumbens-associated protein 1 between cysteines 355 and 444. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7bv9
Structure name
the nmr structure of the ben domain from human nac1
Structure deposition date
2020-04-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
72
Peptide accession
Q96RE7
Residue number A
355
Residue number B
444
Peptide name
Nucleus accumbens-associated protein 1

Ligandability

Cysteine 355 of Nucleus accumbens-associated protein 1

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 444 of Nucleus accumbens-associated protein 1

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 Nucleus accumbens-associated protein 1 between cysteines 355 and 387. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7bv9
Structure name
the nmr structure of the ben domain from human nac1
Structure deposition date
2020-04-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
57
Minimum pKa ?
11
% buried
62
Peptide accession
Q96RE7
Residue number A
355
Residue number B
387
Peptide name
Nucleus accumbens-associated protein 1

Ligandability

Cysteine 355 of Nucleus accumbens-associated protein 1

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 387 of Nucleus accumbens-associated protein 1

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 Nucleus accumbens-associated protein 1 between cysteines 30 and 26 (24 and 26 respectively in this structure).

Details

Redox score ?
nan
PDB code
4u2n
Structure name
crystal structure of a complex of the miz1- and nac1 poz domains
Structure deposition date
2014-07-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
58
Minimum pKa ?
11
% buried
66
Peptide accession
Q96RE7
Residue number A
30
Residue number B
26
Peptide name
Nucleus accumbens-associated protein 1

Ligandability

Cysteine 30 of Nucleus accumbens-associated protein 1

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 26 of Nucleus accumbens-associated protein 1

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 26 in protein B could not be asigned to a Uniprot residue.
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