ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Alpha-aminoadipic semialdehyde synthase, mitochondrial

Intramolecular
Cysteine 353 and cysteine 398
Cysteine 377 and cysteine 398
Cysteine 305 and cysteine 353
Cysteine 369 and cysteine 377
Cysteine 305 and cysteine 398
A redox-regulated disulphide may form within Alpha-aminoadipic semialdehyde synthase, mitochondrial between cysteines 353 and 398.

Details

Redox score ?
61
PDB code
8e8v
Structure name
structure of the short lor domain of human aass bound to n- ethylsuccinimide
Structure deposition date
2022-08-25
Thiol separation (Å)
4
Half-sphere exposure sum ?
106
Minimum pKa ?
9
% buried
100
Peptide accession
Q9UDR5
Residue number A
353
Residue number B
398
Peptide name
Alpha-aminoadipic semialdehyde synthase, mitochondrial

Ligandability

Cysteine 353 of Alpha-aminoadipic semialdehyde synthase, mitochondrial

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 398 of Alpha-aminoadipic semialdehyde synthase, mitochondrial

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 Alpha-aminoadipic semialdehyde synthase, mitochondrial between cysteines 377 and 398. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
8e8t
Structure name
structure of the short lor domain of human aass
Structure deposition date
2022-08-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
92
Minimum pKa ?
9
% buried
85
Peptide accession
Q9UDR5
Residue number A
377
Residue number B
398
Peptide name
Alpha-aminoadipic semialdehyde synthase, mitochondrial

Ligandability

Cysteine 377 of Alpha-aminoadipic semialdehyde synthase, mitochondrial

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 398 of Alpha-aminoadipic semialdehyde synthase, mitochondrial

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 Alpha-aminoadipic semialdehyde synthase, mitochondrial between cysteines 305 and 353. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
8e8u
Structure name
structure of the lor domain of human aass
Structure deposition date
2022-08-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
13
% buried
100
Peptide accession
Q9UDR5
Residue number A
305
Residue number B
353
Peptide name
Alpha-aminoadipic semialdehyde synthase, mitochondrial

Ligandability

Cysteine 305 of Alpha-aminoadipic semialdehyde synthase, mitochondrial

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 353 of Alpha-aminoadipic semialdehyde synthase, mitochondrial

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 Alpha-aminoadipic semialdehyde synthase, mitochondrial between cysteines 369 and 377. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
8e8u
Structure name
structure of the lor domain of human aass
Structure deposition date
2022-08-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
11
% buried
53
Peptide accession
Q9UDR5
Residue number A
369
Residue number B
377
Peptide name
Alpha-aminoadipic semialdehyde synthase, mitochondrial

Ligandability

Cysteine 369 of Alpha-aminoadipic semialdehyde synthase, mitochondrial

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 377 of Alpha-aminoadipic semialdehyde synthase, mitochondrial

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 Alpha-aminoadipic semialdehyde synthase, mitochondrial between cysteines 305 and 398. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
8e8u
Structure name
structure of the lor domain of human aass
Structure deposition date
2022-08-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
91
Minimum pKa ?
9
% buried
100
Peptide accession
Q9UDR5
Residue number A
305
Residue number B
398
Peptide name
Alpha-aminoadipic semialdehyde synthase, mitochondrial

Ligandability

Cysteine 305 of Alpha-aminoadipic semialdehyde synthase, mitochondrial

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 398 of Alpha-aminoadipic semialdehyde synthase, mitochondrial

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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