ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

cDNA FLJ56846, highly similar to Zinc finger protein HRX

Intramolecular
Cysteine 313 and cysteine 318
Cysteine 311 and cysteine 318
Cysteine 263 and cysteine 318
Cysteine 311 and cysteine 313
Cysteine 263 and cysteine 313
Cysteine 263 and cysteine 311
Cysteine 199 and cysteine 267
A redox-regulated disulphide may form within cDNA FLJ56846, highly similar to Zinc finger protein HRX between cysteines 313 and 318 (3959 and 3964 respectively in this structure).

Details

Redox score ?
89
PDB code
6u9k
Structure name
mll1 set n3861i/q3867l bound to inhibitor 18 (tc-5153)
Structure deposition date
2019-09-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
48
Minimum pKa ?
5
% buried
10
Peptide accession
B4DIJ7
Residue number A
313
Residue number B
318
Peptide name
cDNA FLJ56846, highly similar to Zinc finger protein HRX

Ligandability

Cysteine 313 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

Cysteine 318 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

A redox-regulated disulphide may form within cDNA FLJ56846, highly similar to Zinc finger protein HRX between cysteines 311 and 318 (3957 and 3964 respectively in this structure).

Details

Redox score ?
86
PDB code
6u9k
Structure name
mll1 set n3861i/q3867l bound to inhibitor 18 (tc-5153)
Structure deposition date
2019-09-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
44
Minimum pKa ?
8
% buried
8
Peptide accession
B4DIJ7
Residue number A
311
Residue number B
318
Peptide name
cDNA FLJ56846, highly similar to Zinc finger protein HRX

Ligandability

Cysteine 311 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

Cysteine 318 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

A redox-regulated disulphide may form within cDNA FLJ56846, highly similar to Zinc finger protein HRX between cysteines 263 and 318 (3909 and 3964 respectively in this structure).

Details

Redox score ?
85
PDB code
6u9n
Structure name
mll1 set n3861i/q3867l bound to inhibitor 14 (tc-5139)
Structure deposition date
2019-09-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
43
Minimum pKa ?
8
% buried
0
Peptide accession
B4DIJ7
Residue number A
263
Residue number B
318
Peptide name
cDNA FLJ56846, highly similar to Zinc finger protein HRX

Ligandability

Cysteine 263 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

Cysteine 318 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

A redox-regulated disulphide may form within cDNA FLJ56846, highly similar to Zinc finger protein HRX between cysteines 311 and 313 (3957 and 3959 respectively in this structure).

Details

Redox score ?
82
PDB code
6u9k
Structure name
mll1 set n3861i/q3867l bound to inhibitor 18 (tc-5153)
Structure deposition date
2019-09-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
6
% buried
38
Peptide accession
B4DIJ7
Residue number A
311
Residue number B
313
Peptide name
cDNA FLJ56846, highly similar to Zinc finger protein HRX

Ligandability

Cysteine 311 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

Cysteine 313 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

A redox-regulated disulphide may form within cDNA FLJ56846, highly similar to Zinc finger protein HRX between cysteines 263 and 313 (3909 and 3959 respectively in this structure).

Details

Redox score ?
79
PDB code
6u9r
Structure name
mll1 set n3861i/q3867l bound to inhibitor 12 (tc-5140)
Structure deposition date
2019-09-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
68
Minimum pKa ?
6
% buried
28
Peptide accession
B4DIJ7
Residue number A
263
Residue number B
313
Peptide name
cDNA FLJ56846, highly similar to Zinc finger protein HRX

Ligandability

Cysteine 263 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

Cysteine 313 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

A redox-regulated disulphide may form within cDNA FLJ56846, highly similar to Zinc finger protein HRX between cysteines 263 and 311 (3909 and 3957 respectively in this structure).

Details

Redox score ?
77
PDB code
6u9n
Structure name
mll1 set n3861i/q3867l bound to inhibitor 14 (tc-5139)
Structure deposition date
2019-09-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
10
% buried
18
Peptide accession
B4DIJ7
Residue number A
263
Residue number B
311
Peptide name
cDNA FLJ56846, highly similar to Zinc finger protein HRX

Ligandability

Cysteine 263 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

Cysteine 311 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

A redox-regulated disulphide may form within cDNA FLJ56846, highly similar to Zinc finger protein HRX between cysteines 199 and 267 (3845 and 3913 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
6u9m
Structure name
mll1 set n3861i/q3867l bound to inhibitor 16 (tc-5109)
Structure deposition date
2019-09-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
10
% buried
59
Peptide accession
B4DIJ7
Residue number A
199
Residue number B
267
Peptide name
cDNA FLJ56846, highly similar to Zinc finger protein HRX

Ligandability

Cysteine 199 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

Cysteine 267 of cDNA FLJ56846, highly similar to Zinc finger protein HRX

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