ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Intercellular adhesion molecule 1

Intermolecular
Cysteine 332 and cysteine 332
Intramolecular
Cysteine 52 and cysteine 96
Cysteine 585 and cysteine 599
Cysteine 494 and cysteine 686
Cysteine 431 and cysteine 457
Cysteine 332 and cysteine 371
Cysteine 368 and cysteine 381
Cysteine 415 and cysteine 695
Cysteine 185 and cysteine 196
Cysteine 515 and cysteine 528
More...
Cysteine 38 and cysteine 58
Cysteine 135 and cysteine 186
Cysteine 48 and cysteine 92
Cysteine 438 and cysteine 658
Cysteine 237 and cysteine 290
Cysteine 28 and cysteine 67
Cysteine 358 and cysteine 390
Cysteine 137 and cysteine 213
Cysteine 504 and cysteine 518
Cysteine 403 and cysteine 419
Cysteine 175 and cysteine 198
Cysteine 470 and cysteine 545
Cysteine 518 and cysteine 528
Cysteine 419 and cysteine 457
Cysteine 403 and cysteine 457
Cysteine 185 and cysteine 188
Cysteine 172 and cysteine 196
Cysteine 419 and cysteine 431
Cysteine 403 and cysteine 431
Cysteine 504 and cysteine 528
Cysteine 137 and cysteine 172
Cysteine 518 and cysteine 545
Cysteine 175 and cysteine 196
Cysteine 470 and cysteine 504
Cysteine 188 and cysteine 213
Cysteine 470 and cysteine 518
Cysteine 381 and cysteine 390
Cysteine 196 and cysteine 198
Cysteine 368 and cysteine 390
Cysteine 67 and cysteine 198
A redox-regulated disulphide may form between two units of Intercellular adhesion molecule 1 at cysteines 332 and 332 (305 and 305 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
1p53
Structure name
the crystal structure of icam-1 d3-d5 fragment
Structure deposition date
2003-04-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide A name
Intercellular adhesion molecule 1
Peptide B name
Intercellular adhesion molecule 1
Peptide A accession
P05362
Peptide B accession
P05362
Peptide A residue number
332
Peptide B residue number
332

Ligandability

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 52 and 96 (25 and 69 respectively in this structure).

Details

Redox score ?
87
PDB code
1ic1
Structure name
the crystal structure for the n-terminal two domains of icam-1
Structure deposition date
1998-03-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
42
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05362
Residue number A
52
Residue number B
96
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 52 of Intercellular adhesion molecule 1

Cysteine 96 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 585 and 599 (566 and 580 respectively in this structure).

Details

Redox score ?
85
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
585
Residue number B
599
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 585 of Inhibitor of carbonic anhydrase

Cysteine 599 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 494 and 686 (475 and 667 respectively in this structure).

Details

Redox score ?
85
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
494
Residue number B
686
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 494 of Inhibitor of carbonic anhydrase

Cysteine 686 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 431 and 457 (404 and 430 respectively in this structure).

Details

Redox score ?
84
PDB code
2oz4
Structure name
structural plasticity in igsf domain 4 of icam-1 mediates cell surface dimerization
Structure deposition date
2007-02-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5NKV7
Residue number A
431
Residue number B
457
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 431 of Intercellular adhesion molecule 1

Cysteine 457 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 332 and 371 (305 and 344 respectively in this structure).

Details

Redox score ?
84
PDB code
2oz4
Structure name
structural plasticity in igsf domain 4 of icam-1 mediates cell surface dimerization
Structure deposition date
2007-02-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5NKV7
Residue number A
332
Residue number B
371
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 332 of Intercellular adhesion molecule 1

Cysteine 371 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 368 and 381 (349 and 362 respectively in this structure).

Details

Redox score ?
83
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
368
Residue number B
381
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 368 of Inhibitor of carbonic anhydrase

Cysteine 381 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 415 and 695 (396 and 676 respectively in this structure).

Details

Redox score ?
83
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
415
Residue number B
695
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 415 of Inhibitor of carbonic anhydrase

Cysteine 695 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 185 and 196 (166 and 177 respectively in this structure).

Details

Redox score ?
83
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
185
Residue number B
196
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 185 of Inhibitor of carbonic anhydrase

Cysteine 196 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 515 and 528 (496 and 509 respectively in this structure).

Details

Redox score ?
82
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
515
Residue number B
528
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 515 of Inhibitor of carbonic anhydrase

Cysteine 528 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 38 and 58 (19 and 39 respectively in this structure).

Details

Redox score ?
82
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
38
Residue number B
58
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 38 of Inhibitor of carbonic anhydrase

Cysteine 58 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 135 and 186 (108 and 159 respectively in this structure).

Details

Redox score ?
82
PDB code
6s8u
Structure name
structure of the pfemp1 it4var13 dblbeta domain bound to icam-1
Structure deposition date
2019-07-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05362
Residue number A
135
Residue number B
186
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 135 of Intercellular adhesion molecule 1

Cysteine 186 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 48 and 92 (21 and 65 respectively in this structure).

Details

Redox score ?
82
PDB code
5mza
Structure name
the dblb domain of pf11_0521 pfemp1 bound to human icam-1
Structure deposition date
2017-01-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05362
Residue number A
48
Residue number B
92
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 48 of Intercellular adhesion molecule 1

Cysteine 92 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 438 and 658 (419 and 639 respectively in this structure).

Details

Redox score ?
82
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
438
Residue number B
658
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 438 of Inhibitor of carbonic anhydrase

Cysteine 658 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 237 and 290 (210 and 263 respectively in this structure).

Details

Redox score ?
82
PDB code
2oz4
Structure name
structural plasticity in igsf domain 4 of icam-1 mediates cell surface dimerization
Structure deposition date
2007-02-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5NKV7
Residue number A
237
Residue number B
290
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 237 of Intercellular adhesion molecule 1

Cysteine 290 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 28 and 67 (9 and 48 respectively in this structure).

Details

Redox score ?
81
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
28
Residue number B
67
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 28 of Inhibitor of carbonic anhydrase

Cysteine 67 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 358 and 390 (339 and 371 respectively in this structure).

Details

Redox score ?
81
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
358
Residue number B
390
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 358 of Inhibitor of carbonic anhydrase

Cysteine 390 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 137 and 213 (118 and 194 respectively in this structure).

Details

Redox score ?
80
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
87
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
137
Residue number B
213
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 137 of Inhibitor of carbonic anhydrase

Cysteine 213 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 504 and 518 (485 and 499 respectively in this structure).

Details

Redox score ?
80
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
97
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
504
Residue number B
518
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 504 of Inhibitor of carbonic anhydrase

Cysteine 518 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 403 and 419 (376 and 392 respectively in this structure).

Details

Redox score ?
79
PDB code
2oz4
Structure name
structural plasticity in igsf domain 4 of icam-1 mediates cell surface dimerization
Structure deposition date
2007-02-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
90
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5NKV7
Residue number A
403
Residue number B
419
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 403 of Intercellular adhesion molecule 1

Cysteine 419 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 175 and 198 (156 and 179 respectively in this structure).

Details

Redox score ?
78
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
175
Residue number B
198
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 175 of Inhibitor of carbonic anhydrase

Cysteine 198 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 470 and 545 (451 and 526 respectively in this structure).

Details

Redox score ?
78
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
93
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
470
Residue number B
545
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 470 of Inhibitor of carbonic anhydrase

Cysteine 545 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 518 and 528 (499 and 509 respectively in this structure).

Details

Redox score ?
76
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
3
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
518
Residue number B
528
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 518 of Inhibitor of carbonic anhydrase

Cysteine 528 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 419 and 457 (392 and 430 respectively in this structure).

Details

Redox score ?
73
PDB code
1p53
Structure name
the crystal structure of icam-1 d3-d5 fragment
Structure deposition date
2003-04-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05362
Residue number A
419
Residue number B
457
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 419 of Intercellular adhesion molecule 1

Cysteine 457 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 403 and 457 (376 and 430 respectively in this structure).

Details

Redox score ?
72
PDB code
1p53
Structure name
the crystal structure of icam-1 d3-d5 fragment
Structure deposition date
2003-04-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05362
Residue number A
403
Residue number B
457
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 403 of Intercellular adhesion molecule 1

Cysteine 457 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 185 and 188 (166 and 169 respectively in this structure).

Details

Redox score ?
66
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
185
Residue number B
188
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 185 of Inhibitor of carbonic anhydrase

Cysteine 188 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 172 and 196 (153 and 177 respectively in this structure).

Details

Redox score ?
62
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
92
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
172
Residue number B
196
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 172 of Inhibitor of carbonic anhydrase

Cysteine 196 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 419 and 431 (392 and 404 respectively in this structure).

Details

Redox score ?
62
PDB code
1p53
Structure name
the crystal structure of icam-1 d3-d5 fragment
Structure deposition date
2003-04-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
16
% buried
nan
Peptide accession
P05362
Residue number A
419
Residue number B
431
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 419 of Intercellular adhesion molecule 1

Cysteine 431 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Intercellular adhesion molecule 1 between cysteines 403 and 431 (376 and 404 respectively in this structure).

Details

Redox score ?
62
PDB code
2oz4
Structure name
structural plasticity in igsf domain 4 of icam-1 mediates cell surface dimerization
Structure deposition date
2007-02-23
Thiol separation (Å)
6
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5NKV7
Residue number A
403
Residue number B
431
Peptide name
Intercellular adhesion molecule 1

Ligandability

Cysteine 403 of Intercellular adhesion molecule 1

Cysteine 431 of Intercellular adhesion molecule 1

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 504 and 528 (485 and 509 respectively in this structure).

Details

Redox score ?
60
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
91
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
504
Residue number B
528
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 504 of Inhibitor of carbonic anhydrase

Cysteine 528 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 137 and 172 (118 and 153 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
105
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
137
Residue number B
172
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 137 of Inhibitor of carbonic anhydrase

Cysteine 172 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 518 and 545 (499 and 526 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
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
88
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
518
Residue number B
545
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 518 of Inhibitor of carbonic anhydrase

Cysteine 545 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 175 and 196 (156 and 177 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
175
Residue number B
196
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 175 of Inhibitor of carbonic anhydrase

Cysteine 196 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 470 and 504 (451 and 485 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
107
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
470
Residue number B
504
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 470 of Inhibitor of carbonic anhydrase

Cysteine 504 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 188 and 213 (169 and 194 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
188
Residue number B
213
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 188 of Inhibitor of carbonic anhydrase

Cysteine 213 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 470 and 518 (451 and 499 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
96
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
470
Residue number B
518
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 470 of Inhibitor of carbonic anhydrase

Cysteine 518 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 381 and 390 (362 and 371 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
381
Residue number B
390
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 381 of Inhibitor of carbonic anhydrase

Cysteine 390 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 196 and 198 (177 and 179 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
196
Residue number B
198
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 196 of Inhibitor of carbonic anhydrase

Cysteine 198 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 368 and 390 (349 and 371 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
368
Residue number B
390
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 368 of Inhibitor of carbonic anhydrase

Cysteine 390 of Inhibitor of carbonic anhydrase

A redox-regulated disulphide may form within Inhibitor of carbonic anhydrase between cysteines 67 and 198 (48 and 179 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
3mc2
Structure name
crystal structure of the murine inhibitor of carbonic anhydrase
Structure deposition date
2010-03-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DBD0
Residue number A
67
Residue number B
198
Peptide name
Inhibitor of carbonic anhydrase

Ligandability

Cysteine 67 of Inhibitor of carbonic anhydrase

Cysteine 198 of Inhibitor of carbonic anhydrase

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