ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Thrombomodulin

Intramolecular
Cysteine 466 and cysteine 480
Cysteine 390 and cysteine 404
Cysteine 445 and cysteine 439
Cysteine 374 and cysteine 388
Cysteine 369 and cysteine 378
Cysteine 96 and cysteine 133
Cysteine 445 and cysteine 455
Cysteine 417 and cysteine 425
Cysteine 451 and cysteine 464
Cysteine 408 and cysteine 413
More...
Cysteine 427 and cysteine 439
Cysteine 52 and cysteine 167
Cysteine 30 and cysteine 35
Cysteine 466 and cysteine 537
Cysteine 374 and cysteine 378
Cysteine 464 and cysteine 480
Cysteine 464 and cysteine 466
Cysteine 451 and cysteine 455
Cysteine 451 and cysteine 480
Cysteine 451 and cysteine 466
Cysteine 369 and cysteine 374
Cysteine 378 and cysteine 388
Cysteine 455 and cysteine 464
Cysteine 445 and cysteine 451
Cysteine 408 and cysteine 439
Cysteine 417 and cysteine 439
Cysteine 425 and cysteine 427
Cysteine 35 and cysteine 175
Cysteine 413 and cysteine 439
Cysteine 417 and cysteine 427
Cysteine 374 and cysteine 404
Cysteine 388 and cysteine 390
Cysteine 30 and cysteine 175
Cysteine 425 and cysteine 439
Cysteine 137 and cysteine 158
Cysteine 374 and cysteine 390
Cysteine 369 and cysteine 388
Cysteine 413 and cysteine 417
Cysteine 455 and cysteine 480
Cysteine 445 and cysteine 464
A redox-regulated disulphide may form within Thrombomodulin between cysteines 466 and 480 (448 and 462 respectively in this structure).

Details

Redox score ?
90
PDB code
1dx5
Structure name
crystal structure of the thrombin-thrombomodulin complex
Structure deposition date
1999-12-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
466
Residue number B
480
Peptide name
Thrombomodulin

Ligandability

Cysteine 466 of Thrombomodulin

Cysteine 480 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 390 and 404 (372 and 386 respectively in this structure).

Details

Redox score ?
89
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
390
Residue number B
404
Peptide name
Thrombomodulin

Ligandability

Cysteine 390 of Thrombomodulin

Cysteine 404 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 445 and 439 (407 and 421 respectively in this structure).

Details

Redox score ?
89
PDB code
1fge
Structure name
epidermal growth factor (egf) subdomain of human thrombomodulin (nmr, 14 structures)
Structure deposition date
1995-11-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
445
Residue number B
439
Peptide name
Thrombomodulin

Ligandability

Cysteine 445 of Thrombomodulin

Cysteine 439 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 374 and 388 (356 and 370 respectively in this structure).

Details

Redox score ?
88
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
374
Residue number B
388
Peptide name
Thrombomodulin

Ligandability

Cysteine 374 of Thrombomodulin

Cysteine 388 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 369 and 378 (351 and 360 respectively in this structure).

Details

Redox score ?
88
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
369
Residue number B
378
Peptide name
Thrombomodulin

Ligandability

Cysteine 369 of Thrombomodulin

Cysteine 378 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 96 and 133.

Details

Redox score ?
86
PDB code
7t4r
Structure name
cryoem structure of the hcmv pentamer gh/gl/ul128/ul130/ul131a in complex with thbd and neutralizing fabs msl-109 and 13h11
Structure deposition date
2021-12-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
96
Residue number B
133
Peptide name
Thrombomodulin

Ligandability

Cysteine 96 of Thrombomodulin

Cysteine 133 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 445 and 455 (427 and 437 respectively in this structure).

Details

Redox score ?
86
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
445
Residue number B
455
Peptide name
Thrombomodulin

Ligandability

Cysteine 445 of Thrombomodulin

Cysteine 455 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 417 and 425 (399 and 407 respectively in this structure).

Details

Redox score ?
85
PDB code
1dx5
Structure name
crystal structure of the thrombin-thrombomodulin complex
Structure deposition date
1999-12-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
417
Residue number B
425
Peptide name
Thrombomodulin

Ligandability

Cysteine 417 of Thrombomodulin

Cysteine 425 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 451 and 464 (433 and 446 respectively in this structure).

Details

Redox score ?
85
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
451
Residue number B
464
Peptide name
Thrombomodulin

Ligandability

Cysteine 451 of Thrombomodulin

Cysteine 464 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 408 and 413 (390 and 395 respectively in this structure).

Details

Redox score ?
83
PDB code
1dx5
Structure name
crystal structure of the thrombin-thrombomodulin complex
Structure deposition date
1999-12-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
408
Residue number B
413
Peptide name
Thrombomodulin

Ligandability

Cysteine 408 of Thrombomodulin

Cysteine 413 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 427 and 439 (409 and 421 respectively in this structure).

Details

Redox score ?
83
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
427
Residue number B
439
Peptide name
Thrombomodulin

Ligandability

Cysteine 427 of Thrombomodulin

Cysteine 439 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 52 and 167.

Details

Redox score ?
81
PDB code
7t4r
Structure name
cryoem structure of the hcmv pentamer gh/gl/ul128/ul130/ul131a in complex with thbd and neutralizing fabs msl-109 and 13h11
Structure deposition date
2021-12-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
52
Residue number B
167
Peptide name
Thrombomodulin

Ligandability

Cysteine 52 of Thrombomodulin

Cysteine 167 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 30 and 35.

Details

Redox score ?
80
PDB code
7t4r
Structure name
cryoem structure of the hcmv pentamer gh/gl/ul128/ul130/ul131a in complex with thbd and neutralizing fabs msl-109 and 13h11
Structure deposition date
2021-12-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
30
Residue number B
35
Peptide name
Thrombomodulin

Ligandability

Cysteine 30 of Thrombomodulin

Cysteine 35 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 466 and 537 (43 and 59 respectively in this structure).

Details

Redox score ?
80
PDB code
5to3
Structure name
crystal structure of thrombin mutant w215a/e217a fused to egf456 of thrombomodulin via a 31-residue linker and bound to ppack
Structure deposition date
2016-10-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
466
Residue number B
537
Peptide name
Thrombomodulin

Ligandability

Cysteine 466 of Thrombomodulin

Cysteine 537 of Thrombomodulin

Uncertain whether structure cysteine 43 has been assigned to correct residue.
A redox-regulated disulphide may form within Thrombomodulin between cysteines 374 and 378 (356 and 360 respectively in this structure).

Details

Redox score ?
78
PDB code
1dx5
Structure name
crystal structure of the thrombin-thrombomodulin complex
Structure deposition date
1999-12-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
374
Residue number B
378
Peptide name
Thrombomodulin

Ligandability

Cysteine 374 of Thrombomodulin

Cysteine 378 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 464 and 480 (446 and 462 respectively in this structure).

Details

Redox score ?
77
PDB code
5to3
Structure name
crystal structure of thrombin mutant w215a/e217a fused to egf456 of thrombomodulin via a 31-residue linker and bound to ppack
Structure deposition date
2016-10-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
464
Residue number B
480
Peptide name
Thrombomodulin

Ligandability

Cysteine 464 of Thrombomodulin

Cysteine 480 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 464 and 466 (446 and 448 respectively in this structure).

Details

Redox score ?
76
PDB code
5to3
Structure name
crystal structure of thrombin mutant w215a/e217a fused to egf456 of thrombomodulin via a 31-residue linker and bound to ppack
Structure deposition date
2016-10-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
464
Residue number B
466
Peptide name
Thrombomodulin

Ligandability

Cysteine 464 of Thrombomodulin

Cysteine 466 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 451 and 455 (433 and 437 respectively in this structure).

Details

Redox score ?
75
PDB code
1dx5
Structure name
crystal structure of the thrombin-thrombomodulin complex
Structure deposition date
1999-12-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
451
Residue number B
455
Peptide name
Thrombomodulin

Ligandability

Cysteine 451 of Thrombomodulin

Cysteine 455 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 451 and 480 (433 and 462 respectively in this structure).

Details

Redox score ?
74
PDB code
1dx5
Structure name
crystal structure of the thrombin-thrombomodulin complex
Structure deposition date
1999-12-20
Thiol separation (Å)
5
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
451
Residue number B
480
Peptide name
Thrombomodulin

Ligandability

Cysteine 451 of Thrombomodulin

Cysteine 480 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 451 and 466 (433 and 448 respectively in this structure).

Details

Redox score ?
67
PDB code
5to3
Structure name
crystal structure of thrombin mutant w215a/e217a fused to egf456 of thrombomodulin via a 31-residue linker and bound to ppack
Structure deposition date
2016-10-16
Thiol separation (Å)
6
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
451
Residue number B
466
Peptide name
Thrombomodulin

Ligandability

Cysteine 451 of Thrombomodulin

Cysteine 466 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 369 and 374 (351 and 356 respectively in this structure).

Details

Redox score ?
67
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
6
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
369
Residue number B
374
Peptide name
Thrombomodulin

Ligandability

Cysteine 369 of Thrombomodulin

Cysteine 374 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 378 and 388 (360 and 370 respectively in this structure).

Details

Redox score ?
66
PDB code
1dx5
Structure name
crystal structure of the thrombin-thrombomodulin complex
Structure deposition date
1999-12-20
Thiol separation (Å)
6
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
378
Residue number B
388
Peptide name
Thrombomodulin

Ligandability

Cysteine 378 of Thrombomodulin

Cysteine 388 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 455 and 464 (437 and 446 respectively in this structure).

Details

Redox score ?
64
PDB code
5to3
Structure name
crystal structure of thrombin mutant w215a/e217a fused to egf456 of thrombomodulin via a 31-residue linker and bound to ppack
Structure deposition date
2016-10-16
Thiol separation (Å)
6
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
455
Residue number B
464
Peptide name
Thrombomodulin

Ligandability

Cysteine 455 of Thrombomodulin

Cysteine 464 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 445 and 451 (427 and 433 respectively in this structure).

Details

Redox score ?
60
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
6
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
445
Residue number B
451
Peptide name
Thrombomodulin

Ligandability

Cysteine 445 of Thrombomodulin

Cysteine 451 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 408 and 439 (390 and 421 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
408
Residue number B
439
Peptide name
Thrombomodulin

Ligandability

Cysteine 408 of Thrombomodulin

Cysteine 439 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 417 and 439 (399 and 421 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
417
Residue number B
439
Peptide name
Thrombomodulin

Ligandability

Cysteine 417 of Thrombomodulin

Cysteine 439 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 425 and 427 (407 and 409 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
425
Residue number B
427
Peptide name
Thrombomodulin

Ligandability

Cysteine 425 of Thrombomodulin

Cysteine 427 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 35 and 175. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
7t4r
Structure name
cryoem structure of the hcmv pentamer gh/gl/ul128/ul130/ul131a in complex with thbd and neutralizing fabs msl-109 and 13h11
Structure deposition date
2021-12-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
50
Minimum pKa ?
10
% buried
nan
Peptide accession
P07204
Residue number A
35
Residue number B
175
Peptide name
Thrombomodulin

Ligandability

Cysteine 35 of Thrombomodulin

Cysteine 175 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 413 and 439 (395 and 421 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
413
Residue number B
439
Peptide name
Thrombomodulin

Ligandability

Cysteine 413 of Thrombomodulin

Cysteine 439 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 417 and 427 (399 and 409 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
417
Residue number B
427
Peptide name
Thrombomodulin

Ligandability

Cysteine 417 of Thrombomodulin

Cysteine 427 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 374 and 404 (356 and 386 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
1dx5
Structure name
crystal structure of the thrombin-thrombomodulin complex
Structure deposition date
1999-12-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
374
Residue number B
404
Peptide name
Thrombomodulin

Ligandability

Cysteine 374 of Thrombomodulin

Cysteine 404 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 388 and 390 (370 and 372 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
5to3
Structure name
crystal structure of thrombin mutant w215a/e217a fused to egf456 of thrombomodulin via a 31-residue linker and bound to ppack
Structure deposition date
2016-10-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
388
Residue number B
390
Peptide name
Thrombomodulin

Ligandability

Cysteine 388 of Thrombomodulin

Cysteine 390 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 30 and 175. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
7t4r
Structure name
cryoem structure of the hcmv pentamer gh/gl/ul128/ul130/ul131a in complex with thbd and neutralizing fabs msl-109 and 13h11
Structure deposition date
2021-12-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
47
Minimum pKa ?
10
% buried
nan
Peptide accession
P07204
Residue number A
30
Residue number B
175
Peptide name
Thrombomodulin

Ligandability

Cysteine 30 of Thrombomodulin

Cysteine 175 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 425 and 439 (407 and 421 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
425
Residue number B
439
Peptide name
Thrombomodulin

Ligandability

Cysteine 425 of Thrombomodulin

Cysteine 439 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 137 and 158. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7t4r
Structure name
cryoem structure of the hcmv pentamer gh/gl/ul128/ul130/ul131a in complex with thbd and neutralizing fabs msl-109 and 13h11
Structure deposition date
2021-12-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
74
Peptide accession
P07204
Residue number A
137
Residue number B
158
Peptide name
Thrombomodulin

Ligandability

Cysteine 137 of Thrombomodulin

Cysteine 158 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 374 and 390 (356 and 372 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
374
Residue number B
390
Peptide name
Thrombomodulin

Ligandability

Cysteine 374 of Thrombomodulin

Cysteine 390 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 369 and 388 (351 and 370 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
5to3
Structure name
crystal structure of thrombin mutant w215a/e217a fused to egf456 of thrombomodulin via a 31-residue linker and bound to ppack
Structure deposition date
2016-10-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
369
Residue number B
388
Peptide name
Thrombomodulin

Ligandability

Cysteine 369 of Thrombomodulin

Cysteine 388 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 413 and 417 (52 and 56 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
1dqb
Structure name
nmr structure of thrombomodulin egf(4-5)
Structure deposition date
2000-01-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
47
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
413
Residue number B
417
Peptide name
Thrombomodulin

Ligandability

Cysteine 413 of Thrombomodulin

Cysteine 417 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 455 and 480 (437 and 462 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
1dx5
Structure name
crystal structure of the thrombin-thrombomodulin complex
Structure deposition date
1999-12-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
455
Residue number B
480
Peptide name
Thrombomodulin

Ligandability

Cysteine 455 of Thrombomodulin

Cysteine 480 of Thrombomodulin

A redox-regulated disulphide may form within Thrombomodulin between cysteines 445 and 464 (427 and 446 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
3gis
Structure name
crystal structure of na-free thrombin in complex with thrombomodulin
Structure deposition date
2009-03-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07204
Residue number A
445
Residue number B
464
Peptide name
Thrombomodulin

Ligandability

Cysteine 445 of Thrombomodulin

Cysteine 464 of Thrombomodulin

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