ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

DNA-dependent protein kinase catalytic subunit

Intramolecular
Cysteine 1953 and cysteine 1954
Cysteine 3293 and cysteine 3347 L
Cysteine 1942 and cysteine 2093 L
Cysteine 1904 and cysteine 1947 L
Cysteine 25 and cysteine 81
Cysteine 2244 and cysteine 2248
Cysteine 1499 and cysteine 1507 L
Cysteine 1176 and cysteine 1266
Cysteine 1229 and cysteine 1255
Cysteine 1791 and cysteine 1831
More...
Cysteine 1127 and cysteine 1128 L
Cysteine 1128 and cysteine 1135
Cysteine 1919 and cysteine 1947
Cysteine 90 and cysteine 111 L
Cysteine 1127 and cysteine 1183 L
Cysteine 457 and cysteine 458 L
Cysteine 974 and cysteine 1029 L
Cysteine 1377 and cysteine 1455 L
Cysteine 3187 and cysteine 3234
Cysteine 1377 and cysteine 1432 L
Cysteine 2397 and cysteine 2435 L
Cysteine 1029 and cysteine 1032
Cysteine 42 and cysteine 90 L
Cysteine 10 and cysteine 42 L
Cysteine 491 and cysteine 630
Cysteine 1128 and cysteine 1183
Cysteine 1128 and cysteine 1164 L
Cysteine 2403 and cysteine 2435 L
Cysteine 1947 and cysteine 1954
Cysteine 111 and cysteine 123 L
Cysteine 1377 and cysteine 1399 L
Cysteine 1335 and cysteine 1399 L
Cysteine 3001 and cysteine 3014 L
Cysteine 2435 and cysteine 2469 L
Cysteine 1455 and cysteine 1507 L
Cysteine 1176 and cysteine 1183
Cysteine 81 and cysteine 123 L
Cysteine 974 and cysteine 1032 L
Cysteine 1183 and cysteine 1229
Cysteine 1432 and cysteine 1455
A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1953 and 1954.

Details

Redox score ?
73
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
57
Minimum pKa ?
8
% buried
7
Peptide accession
P78527
Residue number A
1953
Residue number B
1954
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1953 of DNA-dependent protein kinase catalytic subunit

Cysteine 1954 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 3293 and 3347.

Details

Redox score ?
65
PDB code
7nfc
Structure name
cryo-em structure of nhej super-complex (dimer)
Structure deposition date
2021-02-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
8
Peptide accession
P78527
Residue number A
3293
Residue number B
3347
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 3293 of DNA-dependent protein kinase catalytic subunit

Cysteine 3347 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1942 and 2093.

Details

Redox score ?
62
PDB code
7nfc
Structure name
cryo-em structure of nhej super-complex (dimer)
Structure deposition date
2021-02-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
53
Minimum pKa ?
9
% buried
30
Peptide accession
P78527
Residue number A
1942
Residue number B
2093
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1942 of DNA-dependent protein kinase catalytic subunit

Cysteine 2093 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1904 and 1947. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
70
Minimum pKa ?
10
% buried
78
Peptide accession
P78527
Residue number A
1904
Residue number B
1947
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1904 of DNA-dependent protein kinase catalytic subunit

Cysteine 1947 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 25 and 81. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
7sud
Structure name
cryoem structure of dna-pk complex viii
Structure deposition date
2021-11-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
28
Peptide accession
P78527
Residue number A
25
Residue number B
81
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 25 of DNA-dependent protein kinase catalytic subunit

Cysteine 81 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 2244 and 2248. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
7nfc
Structure name
cryo-em structure of nhej super-complex (dimer)
Structure deposition date
2021-02-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
54
Minimum pKa ?
12
% buried
57
Peptide accession
P78527
Residue number A
2244
Residue number B
2248
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 2244 of DNA-dependent protein kinase catalytic subunit

Cysteine 2248 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1499 and 1507. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7oty
Structure name
dna-pkcs in complex with m3814
Structure deposition date
2021-06-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
20
Peptide accession
P78527
Residue number A
1499
Residue number B
1507
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1499 of DNA-dependent protein kinase catalytic subunit

Cysteine 1507 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1176 and 1266. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7k19
Structure name
cryoem structure of dna-pk catalytic subunit complexed with dna (complex i)
Structure deposition date
2020-09-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
78
Minimum pKa ?
11
% buried
86
Peptide accession
P78527
Residue number A
1176
Residue number B
1266
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1176 of DNA-dependent protein kinase catalytic subunit

Cysteine 1266 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1229 and 1255. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7nfc
Structure name
cryo-em structure of nhej super-complex (dimer)
Structure deposition date
2021-02-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
24
Peptide accession
P78527
Residue number A
1229
Residue number B
1255
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1229 of DNA-dependent protein kinase catalytic subunit

Cysteine 1255 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1791 and 1831. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7k1n
Structure name
cryoem structure of inactivated-form dna-pk (complex v)
Structure deposition date
2020-09-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
47
Minimum pKa ?
8
% buried
0
Peptide accession
P78527
Residue number A
1791
Residue number B
1831
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1791 of DNA-dependent protein kinase catalytic subunit

Cysteine 1831 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1127 and 1128. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
7
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
100
Peptide accession
P78527
Residue number A
1127
Residue number B
1128
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1127 of DNA-dependent protein kinase catalytic subunit

Cysteine 1128 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1128 and 1135. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7k19
Structure name
cryoem structure of dna-pk catalytic subunit complexed with dna (complex i)
Structure deposition date
2020-09-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
32
Peptide accession
P78527
Residue number A
1128
Residue number B
1135
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1128 of DNA-dependent protein kinase catalytic subunit

Cysteine 1135 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1919 and 1947. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7otp
Structure name
dna-pkcs in complex with atpgammas-mg
Structure deposition date
2021-06-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
77
Minimum pKa ?
12
% buried
88
Peptide accession
P78527
Residue number A
1919
Residue number B
1947
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1919 of DNA-dependent protein kinase catalytic subunit

Cysteine 1947 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 90 and 111. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
82
Peptide accession
P78527
Residue number A
90
Residue number B
111
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 90 of DNA-dependent protein kinase catalytic subunit

Cysteine 111 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1127 and 1183. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7k1b
Structure name
cryoem structure of dna-pk catalytic subunit complexed with dna (complex ii)
Structure deposition date
2020-09-07
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
74
Peptide accession
P78527
Residue number A
1127
Residue number B
1183
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1127 of DNA-dependent protein kinase catalytic subunit

Cysteine 1183 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 457 and 458. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
10
% buried
58
Peptide accession
P78527
Residue number A
457
Residue number B
458
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 457 of DNA-dependent protein kinase catalytic subunit

Cysteine 458 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 974 and 1029. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7nfe
Structure name
cryo-em structure of nhej super-complex (monomer)
Structure deposition date
2021-02-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
82
Peptide accession
P78527
Residue number A
974
Residue number B
1029
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 974 of DNA-dependent protein kinase catalytic subunit

Cysteine 1029 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1377 and 1455. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7otw
Structure name
dna-pkcs in complex with azd7648
Structure deposition date
2021-06-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
82
Peptide accession
P78527
Residue number A
1377
Residue number B
1455
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1377 of DNA-dependent protein kinase catalytic subunit

Cysteine 1455 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 3187 and 3234. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7su3
Structure name
cryoem structure of dna-pk complex vii
Structure deposition date
2021-11-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
86
Peptide accession
P78527
Residue number A
3187
Residue number B
3234
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 3187 of DNA-dependent protein kinase catalytic subunit

Cysteine 3234 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1377 and 1432. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7lt3
Structure name
nhej long-range synaptic complex
Structure deposition date
2021-02-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
38
Peptide accession
P78527
Residue number A
1377
Residue number B
1432
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1377 of DNA-dependent protein kinase catalytic subunit

Cysteine 1432 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 2397 and 2435. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
77
Peptide accession
P78527
Residue number A
2397
Residue number B
2435
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 2397 of DNA-dependent protein kinase catalytic subunit

Cysteine 2435 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1029 and 1032. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
7
Half-sphere exposure sum ?
89
Minimum pKa ?
13
% buried
100
Peptide accession
P78527
Residue number A
1029
Residue number B
1032
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1029 of DNA-dependent protein kinase catalytic subunit

Cysteine 1032 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 42 and 90. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7nfe
Structure name
cryo-em structure of nhej super-complex (monomer)
Structure deposition date
2021-02-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
55
Minimum pKa ?
10
% buried
37
Peptide accession
P78527
Residue number A
42
Residue number B
90
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 42 of DNA-dependent protein kinase catalytic subunit

Cysteine 90 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 10 and 42. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
13
% buried
nan
Peptide accession
P78527
Residue number A
10
Residue number B
42
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 10 of DNA-dependent protein kinase catalytic subunit

Cysteine 42 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 491 and 630. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7k19
Structure name
cryoem structure of dna-pk catalytic subunit complexed with dna (complex i)
Structure deposition date
2020-09-07
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
12
% buried
98
Peptide accession
P78527
Residue number A
491
Residue number B
630
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 491 of DNA-dependent protein kinase catalytic subunit

Cysteine 630 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1128 and 1183. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7nfc
Structure name
cryo-em structure of nhej super-complex (dimer)
Structure deposition date
2021-02-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
79
Peptide accession
P78527
Residue number A
1128
Residue number B
1183
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1128 of DNA-dependent protein kinase catalytic subunit

Cysteine 1183 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1128 and 1164. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
81
Peptide accession
P78527
Residue number A
1128
Residue number B
1164
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1128 of DNA-dependent protein kinase catalytic subunit

Cysteine 1164 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 2403 and 2435. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
84
Peptide accession
P78527
Residue number A
2403
Residue number B
2435
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 2403 of DNA-dependent protein kinase catalytic subunit

Cysteine 2435 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1947 and 1954. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7k0y
Structure name
cryo-em structure of activated-form dna-pk (complex vi)
Structure deposition date
2020-09-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
12
% buried
90
Peptide accession
P78527
Residue number A
1947
Residue number B
1954
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1947 of DNA-dependent protein kinase catalytic subunit

Cysteine 1954 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 111 and 123. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7k1k
Structure name
cryoem structure of inactivated-form dna-pk (complex iv)
Structure deposition date
2020-09-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
67
Minimum pKa ?
12
% buried
84
Peptide accession
P78527
Residue number A
111
Residue number B
123
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 111 of DNA-dependent protein kinase catalytic subunit

Cysteine 123 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1377 and 1399. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7nfe
Structure name
cryo-em structure of nhej super-complex (monomer)
Structure deposition date
2021-02-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
10
% buried
68
Peptide accession
P78527
Residue number A
1377
Residue number B
1399
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1377 of DNA-dependent protein kinase catalytic subunit

Cysteine 1399 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1335 and 1399. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7nfc
Structure name
cryo-em structure of nhej super-complex (dimer)
Structure deposition date
2021-02-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
77
Peptide accession
P78527
Residue number A
1335
Residue number B
1399
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1335 of DNA-dependent protein kinase catalytic subunit

Cysteine 1399 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 3001 and 3014. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
5luq
Structure name
crystal structure of human dna-dependent protein kinase catalytic subunit (dna-pkcs)
Structure deposition date
2016-09-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
11
% buried
81
Peptide accession
P78527
Residue number A
3001
Residue number B
3014
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 3001 of DNA-dependent protein kinase catalytic subunit

Cysteine 3014 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 2435 and 2469. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
7otp
Structure name
dna-pkcs in complex with atpgammas-mg
Structure deposition date
2021-06-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
11
% buried
73
Peptide accession
P78527
Residue number A
2435
Residue number B
2469
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 2435 of DNA-dependent protein kinase catalytic subunit

Cysteine 2469 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1455 and 1507. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
5w1r
Structure name
cryo-em structure of dnapkcs
Structure deposition date
2017-06-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
10
% buried
57
Peptide accession
P78527
Residue number A
1455
Residue number B
1507
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1455 of DNA-dependent protein kinase catalytic subunit

Cysteine 1507 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1176 and 1183. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7oty
Structure name
dna-pkcs in complex with m3814
Structure deposition date
2021-06-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
82
Minimum pKa ?
9
% buried
100
Peptide accession
P78527
Residue number A
1176
Residue number B
1183
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1176 of DNA-dependent protein kinase catalytic subunit

Cysteine 1183 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 81 and 123. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7k0y
Structure name
cryo-em structure of activated-form dna-pk (complex vi)
Structure deposition date
2020-09-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
12
% buried
78
Peptide accession
P78527
Residue number A
81
Residue number B
123
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 81 of DNA-dependent protein kinase catalytic subunit

Cysteine 123 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 974 and 1032. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7otw
Structure name
dna-pkcs in complex with azd7648
Structure deposition date
2021-06-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
88
Peptide accession
P78527
Residue number A
974
Residue number B
1032
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 974 of DNA-dependent protein kinase catalytic subunit

Cysteine 1032 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1183 and 1229. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7sgl
Structure name
dna-pk complex of dna end processing
Structure deposition date
2021-10-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
72
Minimum pKa ?
11
% buried
91
Peptide accession
P78527
Residue number A
1183
Residue number B
1229
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1183 of DNA-dependent protein kinase catalytic subunit

Cysteine 1229 of DNA-dependent protein kinase catalytic subunit

A redox-regulated disulphide may form within DNA-dependent protein kinase catalytic subunit between cysteines 1432 and 1455. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
7otv
Structure name
dna-pkcs in complex with wortmannin
Structure deposition date
2021-06-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
12
% buried
78
Peptide accession
P78527
Residue number A
1432
Residue number B
1455
Peptide name
DNA-dependent protein kinase catalytic subunit

Ligandability

Cysteine 1432 of DNA-dependent protein kinase catalytic subunit

Cysteine 1455 of DNA-dependent protein kinase catalytic subunit

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