ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Lysine-specific demethylase 3B

Intramolecular
Cysteine 1448 and cysteine 1451
Cysteine 1392 and cysteine 1408
Cysteine 1386 and cysteine 1392
A redox-regulated disulphide may form within Lysine-specific demethylase 3B between cysteines 1448 and 1451. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
5rau
Structure name
pandda analysis group deposition -- crystal structure of jmjd1b in complex with da000165b
Structure deposition date
2020-03-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
10
% buried
60
Peptide accession
Q7LBC6
Residue number A
1448
Residue number B
1451
Peptide name
Lysine-specific demethylase 3B

Ligandability

Cysteine 1448 of Lysine-specific demethylase 3B

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 1451 of Lysine-specific demethylase 3B

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 Lysine-specific demethylase 3B between cysteines 1392 and 1408. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
5ram
Structure name
pandda analysis group deposition -- crystal structure of jmjd1b in complex with xs038544d
Structure deposition date
2020-03-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
60
Minimum pKa ?
11
% buried
63
Peptide accession
Q7LBC6
Residue number A
1392
Residue number B
1408
Peptide name
Lysine-specific demethylase 3B

Ligandability

Cysteine 1392 of Lysine-specific demethylase 3B

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 1408 of Lysine-specific demethylase 3B

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 Lysine-specific demethylase 3B between cysteines 1386 and 1392. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
6rbj
Structure name
crystal structure of kdm3b in complex with 5-(1h-tetrazol-5-yl) quinolin-8-ol
Structure deposition date
2019-04-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
12
% buried
85
Peptide accession
Q7LBC6
Residue number A
1386
Residue number B
1392
Peptide name
Lysine-specific demethylase 3B

Ligandability

Cysteine 1386 of Lysine-specific demethylase 3B

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 1392 of Lysine-specific demethylase 3B

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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