NACHT, LRR and PYD domains-containing protein 3
Intramolecular
Cysteine 8 and cysteine 108
Cysteine 957 and cysteine 958
Cysteine 955 and cysteine 982
Cysteine 843 and cysteine 844
Cysteine 933 and cysteine 957
Cysteine 409 and cysteine 415
Cysteine 900 and cysteine 901
Cysteine 786 and cysteine 787
Cysteine 150 and cysteine 514
Cysteine 951 and cysteine 957
More...Cysteine 463 and cysteine 598
Cysteine 279 and cysteine 280
Cysteine 901 and cysteine 951
Cysteine 409 and cysteine 419
Cysteine 948 and cysteine 982
Cysteine 463 and cysteine 470
Cysteine 837 and cysteine 838
Cysteine 706 and cysteine 730
Cysteine 787 and cysteine 837
Cysteine 669 and cysteine 673
Cysteine 951 and cysteine 958
Cysteine 876 and cysteine 900
Cysteine 415 and cysteine 419
Cysteine 777 and cysteine 834
Cysteine 901 and cysteine 957
Cysteine 816 and cysteine 840
Cysteine 844 and cysteine 876
Cysteine 762 and cysteine 786
Cysteine 933 and cysteine 958
Cysteine 876 and cysteine 901
Cysteine 470 and cysteine 598
Cysteine 780 and cysteine 786
Cysteine 816 and cysteine 841
Cysteine 982 and cysteine 987
Cysteine 787 and cysteine 819
Cysteine 900 and cysteine 951
Cysteine 837 and cysteine 843
Cysteine 727 and cysteine 777
Cysteine 762 and cysteine 787
Cysteine 873 and cysteine 881
3qf2 B 8 B 108
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 8 and 108.
Details
Redox score ?
84
PDB code
3qf2
Structure name
crystal structure of nalp3 pyd
Structure deposition date
2011-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96P20
Residue number A
8
Residue number B
108
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 8 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 108 of NACHT, LRR and PYD domains-containing protein 3
6npy A 955 A 956
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 957 and 958 (955 and 956 respectively in this structure).
Details
Redox score ?
76
PDB code
6npy
Structure name
cryo-em structure of nlrp3 bound to nek7
Structure deposition date
2019-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
7
% buried
60
Peptide accession
Q96P20
Residue number A
957
Residue number B
958
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 957 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 958 of NACHT, LRR and PYD domains-containing protein 3
7lfh I 955 I 982
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 955 and 982.
Details
Redox score ?
73
PDB code
7lfh
Structure name
cryo-em structure of nlrp3 double-ring cage, 6-fold (12-mer)
Structure deposition date
2021-01-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
8
% buried
88
Peptide accession
Q8R4B8
Residue number A
955
Residue number B
982
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 955 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 982 of NACHT, LRR and PYD domains-containing protein 3
7vtp C 843 C 844
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 843 and 844.
Details
Redox score ?
72
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
5
Half-sphere exposure sum ?
67
Minimum pKa ?
8
% buried
67
Peptide accession
Q96P20
Residue number A
843
Residue number B
844
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 843 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 844 of NACHT, LRR and PYD domains-containing protein 3
7pzc C 933 C 957
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 933 and 957.
Details
Redox score ?
70
PDB code
7pzc
Structure name
cryo-em structure of the nlrp3 decamer bound to the inhibitor crid3
Structure deposition date
2021-10-12
Thiol separation (Å)
5
Half-sphere exposure sum ?
65
Minimum pKa ?
8
% buried
61
Peptide accession
Q96P20
Residue number A
933
Residue number B
957
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 933 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 957 of NACHT, LRR and PYD domains-containing protein 3
7alv A 409 A 415
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 409 and 415.
Details
Redox score ?
70
PDB code
7alv
Structure name
crystal structure of nlrp3 nacht domain in complex with a potent inhibitor
Structure deposition date
2020-10-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
9
% buried
100
Peptide accession
Q96P20
Residue number A
409
Residue number B
415
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 409 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 415 of NACHT, LRR and PYD domains-containing protein 3
7vtp C 900 C 901
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 900 and 901.
Details
Redox score ?
69
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
5
Half-sphere exposure sum ?
69
Minimum pKa ?
8
% buried
61
Peptide accession
Q96P20
Residue number A
900
Residue number B
901
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 900 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 901 of NACHT, LRR and PYD domains-containing protein 3
7vtp A 786 A 787
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 786 and 787.
Details
Redox score ?
66
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
72
Minimum pKa ?
9
% buried
97
Peptide accession
Q96P20
Residue number A
786
Residue number B
787
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 786 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 787 of NACHT, LRR and PYD domains-containing protein 3
6npy A 148 A 512
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 150 and 514 (148 and 512 respectively in this structure).
Details
Redox score ?
62
PDB code
6npy
Structure name
cryo-em structure of nlrp3 bound to nek7
Structure deposition date
2019-01-18
Thiol separation (Å)
6
Half-sphere exposure sum ?
43
Minimum pKa ?
10
% buried
37
Peptide accession
Q96P20
Residue number A
150
Residue number B
514
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 150 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 514 of NACHT, LRR and PYD domains-containing protein 3
6npy A 949 A 955
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 951 and 957 (949 and 955 respectively in this structure).
Details
Redox score ?
60
PDB code
6npy
Structure name
cryo-em structure of nlrp3 bound to nek7
Structure deposition date
2019-01-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
56
Minimum pKa ?
7
% buried
54
Peptide accession
Q96P20
Residue number A
951
Residue number B
957
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 951 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 957 of NACHT, LRR and PYD domains-containing protein 3
7vtp B 463 B 598
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 463 and 598.
Details
Redox score ?
60
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
7
Half-sphere exposure sum ?
39
Minimum pKa ?
9
% buried
22
Peptide accession
Q96P20
Residue number A
463
Residue number B
598
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 463 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 598 of NACHT, LRR and PYD domains-containing protein 3
7alv A 279 A 280
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 279 and 280. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
56
PDB code
7alv
Structure name
crystal structure of nlrp3 nacht domain in complex with a potent inhibitor
Structure deposition date
2020-10-07
Thiol separation (Å)
6
Half-sphere exposure sum ?
60
Minimum pKa ?
11
% buried
82
Peptide accession
Q96P20
Residue number A
279
Residue number B
280
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 279 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 280 of NACHT, LRR and PYD domains-containing protein 3
7vtp C 901 C 951
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 901 and 951. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
52
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
70
Minimum pKa ?
8
% buried
72
Peptide accession
Q96P20
Residue number A
901
Residue number B
951
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 901 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 951 of NACHT, LRR and PYD domains-containing protein 3
7alv A 409 A 419
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 409 and 419. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
50
PDB code
7alv
Structure name
crystal structure of nlrp3 nacht domain in complex with a potent inhibitor
Structure deposition date
2020-10-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
81
Minimum pKa ?
9
% buried
100
Peptide accession
Q96P20
Residue number A
409
Residue number B
419
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 409 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 419 of NACHT, LRR and PYD domains-containing protein 3
7lfh J 948 J 982
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 948 and 982. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
49
PDB code
7lfh
Structure name
cryo-em structure of nlrp3 double-ring cage, 6-fold (12-mer)
Structure deposition date
2021-01-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
8
% buried
72
Peptide accession
Q8R4B8
Residue number A
948
Residue number B
982
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 948 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 982 of NACHT, LRR and PYD domains-containing protein 3
8etr A 463 A 470
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 463 and 470. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
47
PDB code
8etr
Structure name
cryoem structure of nlrp3 nacht domain in complex with g2394
Structure deposition date
2022-10-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
58
Peptide accession
Q96P20
Residue number A
463
Residue number B
470
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 463 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 470 of NACHT, LRR and PYD domains-containing protein 3
7pzc F 837 F 838
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 837 and 838. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
47
PDB code
7pzc
Structure name
cryo-em structure of the nlrp3 decamer bound to the inhibitor crid3
Structure deposition date
2021-10-12
Thiol separation (Å)
7
Half-sphere exposure sum ?
70
Minimum pKa ?
10
% buried
68
Peptide accession
Q96P20
Residue number A
837
Residue number B
838
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 837 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 838 of NACHT, LRR and PYD domains-containing protein 3
6npy A 704 A 728
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 706 and 730 (704 and 728 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
45
PDB code
6npy
Structure name
cryo-em structure of nlrp3 bound to nek7
Structure deposition date
2019-01-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
61
Minimum pKa ?
8
% buried
24
Peptide accession
Q96P20
Residue number A
706
Residue number B
730
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 706 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 730 of NACHT, LRR and PYD domains-containing protein 3
7pzc C 787 C 837
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 787 and 837. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
44
PDB code
7pzc
Structure name
cryo-em structure of the nlrp3 decamer bound to the inhibitor crid3
Structure deposition date
2021-10-12
Thiol separation (Å)
8
Half-sphere exposure sum ?
76
Minimum pKa ?
9
% buried
100
Peptide accession
Q96P20
Residue number A
787
Residue number B
837
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 787 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 837 of NACHT, LRR and PYD domains-containing protein 3
7alv A 669 A 673
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 669 and 673. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
44
PDB code
7alv
Structure name
crystal structure of nlrp3 nacht domain in complex with a potent inhibitor
Structure deposition date
2020-10-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
9
% buried
54
Peptide accession
Q96P20
Residue number A
669
Residue number B
673
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 669 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 673 of NACHT, LRR and PYD domains-containing protein 3
6npy A 949 A 956
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 951 and 958 (949 and 956 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
6npy
Structure name
cryo-em structure of nlrp3 bound to nek7
Structure deposition date
2019-01-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
11
% buried
62
Peptide accession
Q96P20
Residue number A
951
Residue number B
958
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 951 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 958 of NACHT, LRR and PYD domains-containing protein 3
7pzc G 876 G 900
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 876 and 900. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
43
PDB code
7pzc
Structure name
cryo-em structure of the nlrp3 decamer bound to the inhibitor crid3
Structure deposition date
2021-10-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
46
Peptide accession
Q96P20
Residue number A
876
Residue number B
900
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 876 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 900 of NACHT, LRR and PYD domains-containing protein 3
7alv A 415 A 419
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 415 and 419. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
43
PDB code
7alv
Structure name
crystal structure of nlrp3 nacht domain in complex with a potent inhibitor
Structure deposition date
2020-10-07
Thiol separation (Å)
6
Half-sphere exposure sum ?
83
Minimum pKa ?
14
% buried
100
Peptide accession
Q96P20
Residue number A
415
Residue number B
419
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 415 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 419 of NACHT, LRR and PYD domains-containing protein 3
7lfh G 777 G 834
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 777 and 834. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
42
PDB code
7lfh
Structure name
cryo-em structure of nlrp3 double-ring cage, 6-fold (12-mer)
Structure deposition date
2021-01-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
74
Peptide accession
Q8R4B8
Residue number A
777
Residue number B
834
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 777 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 834 of NACHT, LRR and PYD domains-containing protein 3
7pzc B 901 B 957
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 901 and 957. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
42
PDB code
7pzc
Structure name
cryo-em structure of the nlrp3 decamer bound to the inhibitor crid3
Structure deposition date
2021-10-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
8
% buried
58
Peptide accession
Q96P20
Residue number A
901
Residue number B
957
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 901 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 957 of NACHT, LRR and PYD domains-containing protein 3
7lfh G 816 G 840
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 816 and 840. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
41
PDB code
7lfh
Structure name
cryo-em structure of nlrp3 double-ring cage, 6-fold (12-mer)
Structure deposition date
2021-01-17
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
78
Peptide accession
Q8R4B8
Residue number A
816
Residue number B
840
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 816 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 840 of NACHT, LRR and PYD domains-containing protein 3
7pzc G 844 G 876
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 844 and 876. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
41
PDB code
7pzc
Structure name
cryo-em structure of the nlrp3 decamer bound to the inhibitor crid3
Structure deposition date
2021-10-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
67
Minimum pKa ?
8
% buried
44
Peptide accession
Q96P20
Residue number A
844
Residue number B
876
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 844 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 876 of NACHT, LRR and PYD domains-containing protein 3
7vtp C 762 C 786
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 762 and 786. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
40
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
7
Half-sphere exposure sum ?
65
Minimum pKa ?
14
% buried
98
Peptide accession
Q96P20
Residue number A
762
Residue number B
786
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 762 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 786 of NACHT, LRR and PYD domains-containing protein 3
7pzc G 933 G 958
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 933 and 958. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
40
PDB code
7pzc
Structure name
cryo-em structure of the nlrp3 decamer bound to the inhibitor crid3
Structure deposition date
2021-10-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
67
Minimum pKa ?
8
% buried
64
Peptide accession
Q96P20
Residue number A
933
Residue number B
958
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 933 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 958 of NACHT, LRR and PYD domains-containing protein 3
7vtp C 876 C 901
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 876 and 901. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
40
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
8
% buried
81
Peptide accession
Q96P20
Residue number A
876
Residue number B
901
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 876 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 901 of NACHT, LRR and PYD domains-containing protein 3
7vtp B 470 B 598
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 470 and 598. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
40
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
54
Minimum pKa ?
11
% buried
70
Peptide accession
Q96P20
Residue number A
470
Residue number B
598
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 470 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 598 of NACHT, LRR and PYD domains-containing protein 3
7vtp D 780 D 786
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 780 and 786. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
39
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
12
% buried
83
Peptide accession
Q96P20
Residue number A
780
Residue number B
786
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 780 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 786 of NACHT, LRR and PYD domains-containing protein 3
7vtq H 816 H 841
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 816 and 841. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
39
PDB code
7vtq
Structure name
cryo-em structure of mouse nlrp3 (full-length) dodecamer
Structure deposition date
2021-10-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
8
% buried
80
Peptide accession
Q8R4B8
Residue number A
816
Residue number B
841
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 816 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 841 of NACHT, LRR and PYD domains-containing protein 3
7lfh A 982 A 987
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 982 and 987. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
38
PDB code
7lfh
Structure name
cryo-em structure of nlrp3 double-ring cage, 6-fold (12-mer)
Structure deposition date
2021-01-17
Thiol separation (Å)
10
Half-sphere exposure sum ?
65
Minimum pKa ?
8
% buried
74
Peptide accession
Q8R4B8
Residue number A
982
Residue number B
987
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 982 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 987 of NACHT, LRR and PYD domains-containing protein 3
7vtp D 787 D 819
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 787 and 819. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
38
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
9
% buried
98
Peptide accession
Q96P20
Residue number A
787
Residue number B
819
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 787 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 819 of NACHT, LRR and PYD domains-containing protein 3
7pzc G 900 G 951
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 900 and 951. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
37
PDB code
7pzc
Structure name
cryo-em structure of the nlrp3 decamer bound to the inhibitor crid3
Structure deposition date
2021-10-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
12
% buried
68
Peptide accession
Q96P20
Residue number A
900
Residue number B
951
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 900 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 951 of NACHT, LRR and PYD domains-containing protein 3
7vtp B 837 B 843
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 837 and 843. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
36
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
12
% buried
77
Peptide accession
Q96P20
Residue number A
837
Residue number B
843
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 837 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 843 of NACHT, LRR and PYD domains-containing protein 3
7vtq G 727 G 777
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 727 and 777. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
36
PDB code
7vtq
Structure name
cryo-em structure of mouse nlrp3 (full-length) dodecamer
Structure deposition date
2021-10-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
76
Peptide accession
Q8R4B8
Residue number A
727
Residue number B
777
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 727 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 777 of NACHT, LRR and PYD domains-containing protein 3
7vtp C 762 C 787
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 762 and 787. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
35
PDB code
7vtp
Structure name
cryo-em structure of pyd-deleted human nlrp3 hexamer
Structure deposition date
2021-10-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
10
% buried
100
Peptide accession
Q96P20
Residue number A
762
Residue number B
787
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 762 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 787 of NACHT, LRR and PYD domains-containing protein 3
7vtq D 873 D 881
A redox-regulated disulphide may form within NACHT, LRR and PYD domains-containing protein 3 between cysteines 873 and 881. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
34
PDB code
7vtq
Structure name
cryo-em structure of mouse nlrp3 (full-length) dodecamer
Structure deposition date
2021-10-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
84
Peptide accession
Q8R4B8
Residue number A
873
Residue number B
881
Peptide name
NACHT, LRR and PYD domains-containing protein 3
Ligandability
Cysteine 873 of NACHT, LRR and PYD domains-containing protein 3
Cysteine 881 of NACHT, LRR and PYD domains-containing protein 3
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