Coagulation factor IX
Intermolecular
Cysteine 178 and cysteine 335 L
Cysteine 335 and cysteine 170
Intramolecular
Cysteine 64 and cysteine 69
Cysteine 102 and cysteine 117
Cysteine 119 and cysteine 128
Cysteine 89 and cysteine 100
Cysteine 141 and cysteine 155
Cysteine 157 and cysteine 170
Cysteine 97 and cysteine 108
Cysteine 382 and cysteine 396
More...Cysteine 407 and cysteine 435
Cysteine 252 and cysteine 268
Cysteine 117 and cysteine 119
Cysteine 141 and cysteine 145
Cysteine 102 and cysteine 108
Cysteine 108 and cysteine 117
Cysteine 117 and cysteine 128
Cysteine 102 and cysteine 128
Cysteine 89 and cysteine 96
Cysteine 100 and cysteine 110
Cysteine 102 and cysteine 119
Cysteine 89 and cysteine 110
Cysteine 97 and cysteine 117
Cysteine 97 and cysteine 102
Cysteine 110 and cysteine 125
Cysteine 141 and cysteine 170
Cysteine 110 and cysteine 112
Cysteine 141 and cysteine 157
Cysteine 108 and cysteine 128
Cysteine 108 and cysteine 119
Cysteine 170 and cysteine 178 L
2wpk E 132 S 122
A redox-regulated disulphide may form between two units of Coagulation factor IX at cysteines 178 and 335 (132 and 122 respectively in this structure).
Details
Redox score ?
77
PDB code
2wpk
Structure name
factor ixa superactive triple mutant, ethylene glycol-soaked
Structure deposition date
2009-08-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide A name
Coagulation factor IX
Peptide B name
Coagulation factor IX
Peptide A accession
P00740
Peptide B accession
P00740
Peptide A residue number
178
Peptide B residue number
335
Ligandability
Cysteine 178 of Coagulation factor IX
Cysteine 335 of Coagulation factor IX
4yzu A 122 B 124
A redox-regulated disulphide may form between two units of Coagulation factor IX at cysteines 335 and 170 (122 and 124 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
4yzu
Structure name
rapid development of two factor ixa inhibitors from hit to lead
Structure deposition date
2015-03-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide A name
Coagulation factor IX
Peptide B name
Coagulation factor IX
Peptide A accession
P00740
Peptide B accession
P00740
Peptide A residue number
335
Peptide B residue number
170
Ligandability
Cysteine 335 of Coagulation factor IX
Cysteine 170 of Coagulation factor IX
1nl0 G 18 G 23
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 64 and 69 (18 and 23 respectively in this structure).
Details
Redox score ?
92
PDB code
1nl0
Structure name
crystal structure of human factor ix gla domain in complex of an inhibitory antibody, 10c12
Structure deposition date
2003-01-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
64
Residue number B
69
Peptide name
Coagulation factor IX
Ligandability
Cysteine 64 of Coagulation factor IX
Cysteine 69 of Coagulation factor IX
5vyg A 56 A 71
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 102 and 117 (56 and 71 respectively in this structure).
Details
Redox score ?
88
PDB code
5vyg
Structure name
crystal structure of hfa9 egf repeat with o-glucose trisaccharide
Structure deposition date
2017-05-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
102
Residue number B
117
Peptide name
Coagulation factor IX
Ligandability
Cysteine 102 of Coagulation factor IX
Cysteine 117 of Coagulation factor IX
4wma D 73 D 82
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 119 and 128 (73 and 82 respectively in this structure).
Details
Redox score ?
87
PDB code
4wma
Structure name
crystal structure of mouse xyloside xylosyltransferase 1 complexed with manganese,acceptor ligand and udp-glucose
Structure deposition date
2014-10-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
119
Residue number B
128
Peptide name
Coagulation factor IX
Ligandability
Cysteine 119 of Coagulation factor IX
Cysteine 128 of Coagulation factor IX
1pfx L 88 L 99
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 89 and 100 (88 and 99 respectively in this structure).
Details
Redox score ?
87
PDB code
1pfx
Structure name
porcine factor ixa
Structure deposition date
1995-07-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P16293
Residue number A
89
Residue number B
100
Peptide name
Coagulation factor IX
Ligandability
Cysteine 89 of Coagulation factor IX
Cysteine 100 of Coagulation factor IX
3lc3 B 95 B 109
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 141 and 155 (95 and 109 respectively in this structure).
Details
Redox score ?
87
PDB code
3lc3
Structure name
benzothiophene inhibitors of factor ixa
Structure deposition date
2010-01-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
141
Residue number B
155
Peptide name
Coagulation factor IX
Ligandability
Cysteine 141 of Coagulation factor IX
Cysteine 155 of Coagulation factor IX
3kcg L 111 L 124
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 157 and 170 (111 and 124 respectively in this structure).
Details
Redox score ?
87
PDB code
3kcg
Structure name
crystal structure of the antithrombin-factor ixa-pentasaccharide complex
Structure deposition date
2009-10-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
157
Residue number B
170
Peptide name
Coagulation factor IX
Ligandability
Cysteine 157 of Coagulation factor IX
Cysteine 170 of Coagulation factor IX
1edm B 51 B 62
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 97 and 108 (51 and 62 respectively in this structure).
Details
Redox score ?
85
PDB code
1edm
Structure name
epidermal growth factor-like domain from human factor ix
Structure deposition date
1996-03-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
97
Residue number B
108
Peptide name
Coagulation factor IX
Ligandability
Cysteine 97 of Coagulation factor IX
Cysteine 108 of Coagulation factor IX
3lc3 C 168 C 182
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 382 and 396 (168 and 182 respectively in this structure).
Details
Redox score ?
82
PDB code
3lc3
Structure name
benzothiophene inhibitors of factor ixa
Structure deposition date
2010-01-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
382
Residue number B
396
Peptide name
Coagulation factor IX
Ligandability
Cysteine 382 of Coagulation factor IX
Cysteine 396 of Coagulation factor IX
5tnt A 191 A 220
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 407 and 435 (191 and 220 respectively in this structure).
Details
Redox score ?
80
PDB code
5tnt
Structure name
discovery of novel aminobenzisoxazole derivatives as orally available factor ixa inhibitors
Structure deposition date
2016-10-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
407
Residue number B
435
Peptide name
Coagulation factor IX
Ligandability
Cysteine 407 of Coagulation factor IX
Cysteine 435 of Coagulation factor IX
1rfn A 42 A 58
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 252 and 268 (42 and 58 respectively in this structure).
Details
Redox score ?
79
PDB code
1rfn
Structure name
human coagulation factor ixa in complex with p-amino benzamidine
Structure deposition date
1999-04-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
87
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
252
Residue number B
268
Peptide name
Coagulation factor IX
Ligandability
Cysteine 252 of Coagulation factor IX
Cysteine 268 of Coagulation factor IX
4wmk D 71 D 73
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 117 and 119 (71 and 73 respectively in this structure).
Details
Redox score ?
78
PDB code
4wmk
Structure name
crystal structure of mouse xyloside xylosyltransferase 1 complexed with manganese, product ligand and udp (product complex ii)
Structure deposition date
2014-10-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
117
Residue number B
119
Peptide name
Coagulation factor IX
Ligandability
Cysteine 117 of Coagulation factor IX
Cysteine 119 of Coagulation factor IX
2wpj E 95 E 99
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 141 and 145 (95 and 99 respectively in this structure).
Details
Redox score ?
77
PDB code
2wpj
Structure name
factor ixa superactive triple mutant, nacl-soaked
Structure deposition date
2009-08-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
141
Residue number B
145
Peptide name
Coagulation factor IX
Ligandability
Cysteine 141 of Coagulation factor IX
Cysteine 145 of Coagulation factor IX
5f85 B 56 B 62
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 102 and 108 (56 and 62 respectively in this structure).
Details
Redox score ?
72
PDB code
5f85
Structure name
crystal structure of drosophila poglut1 (rumi) complexed with its substrate protein (egf repeat) and udp
Structure deposition date
2015-12-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
102
Residue number B
108
Peptide name
Coagulation factor IX
Ligandability
Cysteine 102 of Coagulation factor IX
Cysteine 108 of Coagulation factor IX
5vyg C 62 C 71
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 108 and 117 (62 and 71 respectively in this structure).
Details
Redox score ?
71
PDB code
5vyg
Structure name
crystal structure of hfa9 egf repeat with o-glucose trisaccharide
Structure deposition date
2017-05-25
Thiol separation (Å)
5
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
108
Residue number B
117
Peptide name
Coagulation factor IX
Ligandability
Cysteine 108 of Coagulation factor IX
Cysteine 117 of Coagulation factor IX
5f85 B 71 B 82
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 117 and 128 (71 and 82 respectively in this structure).
Details
Redox score ?
70
PDB code
5f85
Structure name
crystal structure of drosophila poglut1 (rumi) complexed with its substrate protein (egf repeat) and udp
Structure deposition date
2015-12-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
117
Residue number B
128
Peptide name
Coagulation factor IX
Ligandability
Cysteine 117 of Coagulation factor IX
Cysteine 128 of Coagulation factor IX
4wm0 D 56 D 82
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 102 and 128 (56 and 82 respectively in this structure).
Details
Redox score ?
69
PDB code
4wm0
Structure name
crystal structure of mouse xyloside xylosyltransferase 1 complexed with acceptor ligand
Structure deposition date
2014-10-08
Thiol separation (Å)
5
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
102
Residue number B
128
Peptide name
Coagulation factor IX
Ligandability
Cysteine 102 of Coagulation factor IX
Cysteine 128 of Coagulation factor IX
1x7a L 88 L 95
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 89 and 96 (88 and 95 respectively in this structure).
Details
Redox score ?
65
PDB code
1x7a
Structure name
porcine factor ixa complexed to 1-{3-[amino(imino) methyl]phenyl}-n-[4-(1h-benzimidazol-1-yl)-2-fluorophenyl]- 3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
Structure deposition date
2004-08-13
Thiol separation (Å)
6
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P16293
Residue number A
89
Residue number B
96
Peptide name
Coagulation factor IX
Ligandability
Cysteine 89 of Coagulation factor IX
Cysteine 96 of Coagulation factor IX
1pfx L 99 L 109
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 100 and 110 (99 and 109 respectively in this structure).
Details
Redox score ?
64
PDB code
1pfx
Structure name
porcine factor ixa
Structure deposition date
1995-07-19
Thiol separation (Å)
6
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P16293
Residue number A
100
Residue number B
110
Peptide name
Coagulation factor IX
Ligandability
Cysteine 100 of Coagulation factor IX
Cysteine 110 of Coagulation factor IX
4wm0 D 56 D 73
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 102 and 119 (56 and 73 respectively in this structure).
Details
Redox score ?
64
PDB code
4wm0
Structure name
crystal structure of mouse xyloside xylosyltransferase 1 complexed with acceptor ligand
Structure deposition date
2014-10-08
Thiol separation (Å)
6
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
102
Residue number B
119
Peptide name
Coagulation factor IX
Ligandability
Cysteine 102 of Coagulation factor IX
Cysteine 119 of Coagulation factor IX
1pfx L 88 L 109
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 89 and 110 (88 and 109 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
1pfx
Structure name
porcine factor ixa
Structure deposition date
1995-07-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P16293
Residue number A
89
Residue number B
110
Peptide name
Coagulation factor IX
Ligandability
Cysteine 89 of Coagulation factor IX
Cysteine 110 of Coagulation factor IX
5f84 B 51 B 71
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 97 and 117 (51 and 71 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
5f84
Structure name
crystal structure of drosophila poglut1 (rumi) complexed with its glycoprotein product (glucosylated egf repeat) and udp
Structure deposition date
2015-12-09
Thiol separation (Å)
7
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
97
Residue number B
117
Peptide name
Coagulation factor IX
Ligandability
Cysteine 97 of Coagulation factor IX
Cysteine 117 of Coagulation factor IX
5f84 B 51 B 56
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 97 and 102 (51 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 ?
58
PDB code
5f84
Structure name
crystal structure of drosophila poglut1 (rumi) complexed with its glycoprotein product (glucosylated egf repeat) and udp
Structure deposition date
2015-12-09
Thiol separation (Å)
6
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
97
Residue number B
102
Peptide name
Coagulation factor IX
Ligandability
Cysteine 97 of Coagulation factor IX
Cysteine 102 of Coagulation factor IX
1pfx L 109 L 124
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 110 and 125 (109 and 124 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
1pfx
Structure name
porcine factor ixa
Structure deposition date
1995-07-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P16293
Residue number A
110
Residue number B
125
Peptide name
Coagulation factor IX
Ligandability
Cysteine 110 of Coagulation factor IX
Cysteine 125 of Coagulation factor IX
2wpk E 95 E 124
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 141 and 170 (95 and 124 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
2wpk
Structure name
factor ixa superactive triple mutant, ethylene glycol-soaked
Structure deposition date
2009-08-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
141
Residue number B
170
Peptide name
Coagulation factor IX
Ligandability
Cysteine 141 of Coagulation factor IX
Cysteine 170 of Coagulation factor IX
1x7a L 109 L 111
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 110 and 112 (109 and 111 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
1x7a
Structure name
porcine factor ixa complexed to 1-{3-[amino(imino) methyl]phenyl}-n-[4-(1h-benzimidazol-1-yl)-2-fluorophenyl]- 3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
Structure deposition date
2004-08-13
Thiol separation (Å)
8
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P16293
Residue number A
110
Residue number B
112
Peptide name
Coagulation factor IX
Ligandability
Cysteine 110 of Coagulation factor IX
Cysteine 112 of Coagulation factor IX
3lc5 B 95 B 111
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 141 and 157 (95 and 111 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
3lc5
Structure name
selective benzothiophine inhibitors of factor ixa
Structure deposition date
2010-01-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
141
Residue number B
157
Peptide name
Coagulation factor IX
Ligandability
Cysteine 141 of Coagulation factor IX
Cysteine 157 of Coagulation factor IX
5f85 B 62 B 82
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 108 and 128 (62 and 82 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
5f85
Structure name
crystal structure of drosophila poglut1 (rumi) complexed with its substrate protein (egf repeat) and udp
Structure deposition date
2015-12-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
108
Residue number B
128
Peptide name
Coagulation factor IX
Ligandability
Cysteine 108 of Coagulation factor IX
Cysteine 128 of Coagulation factor IX
5f86 B 62 B 73
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 108 and 119 (62 and 73 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
5f86
Structure name
crystal structure of drosophila poglut1 (rumi) complexed with its substrate protein (egf repeat)
Structure deposition date
2015-12-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
108
Residue number B
119
Peptide name
Coagulation factor IX
Ligandability
Cysteine 108 of Coagulation factor IX
Cysteine 119 of Coagulation factor IX
5tno B 124 B 132
A redox-regulated disulphide may form within Coagulation factor IX between cysteines 170 and 178 (124 and 132 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
37
PDB code
5tno
Structure name
discovery of novel aminobenzisoxazole derivatives as orally available factor ixa inhibitors
Structure deposition date
2016-10-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00740
Residue number A
170
Residue number B
178
Peptide name
Coagulation factor IX
Ligandability
Cysteine 170 of Coagulation factor IX
Cysteine 178 of Coagulation factor IX
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