High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Intramolecular
Cysteine 301 and cysteine 398
Cysteine 400 and cysteine 401
Cysteine 257 and cysteine 291
Cysteine 331 and cysteine 461
Cysteine 319 and cysteine 461
Cysteine 331 and cysteine 460
Cysteine 317 and cysteine 319
Cysteine 259 and cysteine 419
Cysteine 301 and cysteine 351
Cysteine 351 and cysteine 386
4qge A 241 A 338
A redox-regulated disulphide may form within High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A between cysteines 301 and 398 (241 and 338 respectively in this structure).
Details
Redox score ?
79
PDB code
4qge
Structure name
phosphodiesterase-9a in complex with inhibitor wyq-c36d
Structure deposition date
2014-05-22
Thiol separation (Å)
3
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
30
Peptide accession
K7AGW3
Residue number A
301
Residue number B
398
Peptide name
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligandability
Cysteine 301 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Cysteine 398 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
7f0i A 400 A 401
A redox-regulated disulphide may form within Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A between cysteines 400 and 401. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
44
PDB code
7f0i
Structure name
phosphodiesterase-9a in complex with inhibitor 4b
Structure deposition date
2021-06-04
Thiol separation (Å)
6
Half-sphere exposure sum ?
86
Minimum pKa ?
13
% buried
100
Peptide accession
O76083-2
Residue number A
400
Residue number B
401
Peptide name
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligandability
Cysteine 400 of Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Cysteine 401 of Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
7f0i A 257 A 291
A redox-regulated disulphide may form within Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A between cysteines 257 and 291. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
38
PDB code
7f0i
Structure name
phosphodiesterase-9a in complex with inhibitor 4b
Structure deposition date
2021-06-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
93
Minimum pKa ?
13
% buried
100
Peptide accession
O76083-2
Residue number A
257
Residue number B
291
Peptide name
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligandability
Cysteine 257 of Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Cysteine 291 of Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
6lzz B 271 B 401
A redox-regulated disulphide may form within High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A between cysteines 331 and 461 (271 and 401 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
34
PDB code
6lzz
Structure name
crystal structure of the pde9 catalytic domain in complex with inhibitor 4a
Structure deposition date
2020-02-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
12
% buried
92
Peptide accession
O76083
Residue number A
331
Residue number B
461
Peptide name
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligandability
Cysteine 331 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Cysteine 461 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
3n3z B 259 B 401
A redox-regulated disulphide may form within High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A between cysteines 319 and 461 (259 and 401 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
34
PDB code
3n3z
Structure name
crystal structure of pde9a (e406a) mutant in complex with ibmx
Structure deposition date
2010-05-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
10
% buried
100
Peptide accession
O76083
Residue number A
319
Residue number B
461
Peptide name
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligandability
Cysteine 319 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Cysteine 461 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
4g2j A 271 A 400
A redox-regulated disulphide may form within High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A between cysteines 331 and 460 (271 and 400 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
33
PDB code
4g2j
Structure name
human pde9 in complex with selective compound
Structure deposition date
2012-07-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
12
% buried
90
Peptide accession
O76083
Residue number A
331
Residue number B
460
Peptide name
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligandability
Cysteine 331 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Cysteine 460 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
2hd1 A 257 A 259
A redox-regulated disulphide may form within High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A between cysteines 317 and 319 (257 and 259 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
32
PDB code
2hd1
Structure name
crystal structure of pde9 in complex with ibmx
Structure deposition date
2006-06-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
92
Minimum pKa ?
11
% buried
100
Peptide accession
Q53Y40
Residue number A
317
Residue number B
319
Peptide name
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligandability
Cysteine 317 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Cysteine 319 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
7f0i B 259 B 419
A redox-regulated disulphide may form within Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A between cysteines 259 and 419. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
31
PDB code
7f0i
Structure name
phosphodiesterase-9a in complex with inhibitor 4b
Structure deposition date
2021-06-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
79
Peptide accession
O76083-2
Residue number A
259
Residue number B
419
Peptide name
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligandability
Cysteine 259 of Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Cysteine 419 of Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
2hd1 B 241 B 291
A redox-regulated disulphide may form within High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A between cysteines 301 and 351 (241 and 291 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
31
PDB code
2hd1
Structure name
crystal structure of pde9 in complex with ibmx
Structure deposition date
2006-06-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
83
Minimum pKa ?
10
% buried
66
Peptide accession
Q53Y40
Residue number A
301
Residue number B
351
Peptide name
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligandability
Cysteine 301 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Cysteine 351 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
2hd1 A 291 A 326
A redox-regulated disulphide may form within High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A between cysteines 351 and 386 (291 and 326 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
30
PDB code
2hd1
Structure name
crystal structure of pde9 in complex with ibmx
Structure deposition date
2006-06-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
96
Minimum pKa ?
12
% buried
100
Peptide accession
Q53Y40
Residue number A
351
Residue number B
386
Peptide name
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligandability
Cysteine 351 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Cysteine 386 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
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