ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Microcephalin

Intermolecular
Cysteine 776 and cysteine 776
Intramolecular
Cysteine 705 and cysteine 744
Cysteine 740 and cysteine 782
Cysteine 740 and cysteine 744
Cysteine 680 and cysteine 705
Cysteine 705 and cysteine 740
A redox-regulated disulphide may form between two units of Microcephalin at cysteines 776 and 776. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
3shv
Structure name
crystal structure of human mcph1 tandem brct domains-gamma h2ax complex
Structure deposition date
2011-06-17
Thiol separation (Å)
8
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
100
Peptide A name
Microcephalin
Peptide B name
Microcephalin
Peptide A accession
Q8NEM0
Peptide B accession
Q8NEM0
Peptide A residue number
776
Peptide B residue number
776

Ligandability

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 Microcephalin between cysteines 705 and 744. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
3szm
Structure name
structure of human microcephalin (mcph1) tandem brct domains in complex with a gamma-h2ax phosphopeptide
Structure deposition date
2011-07-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
68
Peptide accession
Q8NEM0
Residue number A
705
Residue number B
744
Peptide name
Microcephalin

Ligandability

Cysteine 705 of Microcephalin

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 744 of Microcephalin

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 Microcephalin between cysteines 740 and 782. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
3u3z
Structure name
structure of human microcephalin (mcph1) tandem brct domains in complex with an h2a
Structure deposition date
2011-10-06
Thiol separation (Å)
6
Half-sphere exposure sum ?
76
Minimum pKa ?
11
% buried
85
Peptide accession
Q8NEM0
Residue number A
740
Residue number B
782
Peptide name
Microcephalin

Ligandability

Cysteine 740 of Microcephalin

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 782 of Microcephalin

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 Microcephalin between cysteines 740 and 744. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
3sht
Structure name
crystal structure of human mcph1 tandem brct domains
Structure deposition date
2011-06-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
9
% buried
69
Peptide accession
Q8NEM0
Residue number A
740
Residue number B
744
Peptide name
Microcephalin

Ligandability

Cysteine 740 of Microcephalin

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 744 of Microcephalin

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 Microcephalin between cysteines 680 and 705. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
3shv
Structure name
crystal structure of human mcph1 tandem brct domains-gamma h2ax complex
Structure deposition date
2011-06-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
8
% buried
78
Peptide accession
Q8NEM0
Residue number A
680
Residue number B
705
Peptide name
Microcephalin

Ligandability

Cysteine 680 of Microcephalin

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 705 of Microcephalin

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 Microcephalin between cysteines 705 and 740. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
3t1n
Structure name
structure of human microcephalin (mcph1) tandem brct domains in complex with a cdc27 phosphopeptide
Structure deposition date
2011-07-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
76
Minimum pKa ?
11
% buried
82
Peptide accession
Q8NEM0
Residue number A
705
Residue number B
740
Peptide name
Microcephalin

Ligandability

Cysteine 705 of Microcephalin

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 740 of Microcephalin

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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