SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NPV'


List of Similar Pattern of Amino Acids


Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
4 / 8 THR A 483
ASP A 413
HIS A 372
HIS A 376
MG  A   2 ( 4.9A)
MG  A   2 ( 2.6A)
NPV  A   3 (-4.6A)
ZN  A   1 (-3.3A)
1.03A 1ei6D-2qykA:
undetectable
1ei6D-2qykA:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UHO_A_VDNA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
6 / 10 TYR A 371
HIS A 372
PHE A 552
GLN A 581
GLY A 583
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
None
NPV  A   3 (-3.3A)
0.40A 1uhoA-2qykA:
36.3
1uhoA-2qykA:
29.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 12 HIS A 412
MET A 485
THR A 545
GLN A 581
PHE A 584
ZN  A   1 (-3.3A)
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
1.44A 1xlxA-2qykA:
52.3
1xlxA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
HIS A 416
MET A 485
LEU A 531
ASN A 533
THR A 545
ILE A 548
MET A 549
SER A 580
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
None
None
NPV  A   3 (-4.4A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.37A 1xlxA-2qykA:
52.3
1xlxA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_B_CIOB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 12 HIS A 412
MET A 485
THR A 545
GLN A 581
PHE A 584
ZN  A   1 (-3.3A)
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
1.45A 1xlxB-2qykA:
52.4
1xlxB-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_B_CIOB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
11 / 12 TYR A 371
HIS A 372
HIS A 416
MET A 485
THR A 545
ILE A 548
MET A 549
PHE A 552
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.38A 1xlxB-2qykA:
52.4
1xlxB-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_B_CIOB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
11 / 12 TYR A 371
HIS A 372
HIS A 416
MET A 485
THR A 545
ILE A 548
MET A 549
PHE A 552
MET A 569
SER A 580
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
0.54A 1xlxB-2qykA:
52.4
1xlxB-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
11 / 12 TYR A 371
HIS A 372
ASP A 530
LEU A 531
PRO A 534
TYR A 541
TRP A 544
ILE A 548
MET A 569
SER A 580
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
ZN  A   1 (-2.5A)
None
None
None
None
NPV  A   3 (-3.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
0.49A 1xmuA-2qykA:
52.9
1xmuA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
11 / 12 TYR A 371
HIS A 372
ASP A 530
LEU A 531
PRO A 534
TYR A 541
TRP A 544
ILE A 548
PHE A 552
SER A 580
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
ZN  A   1 (-2.5A)
None
None
None
None
NPV  A   3 (-3.8A)
NPV  A   3 (-4.8A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
0.38A 1xmuA-2qykA:
52.9
1xmuA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_A_ROFA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 5 MET A 485
ASN A 533
THR A 545
MET A 549
GLN A 581
None
NPV  A   3 (-4.4A)
NPV  A   3 ( 4.7A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.1A)
0.21A 1xmuA-2qykA:
52.9
1xmuA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_B_ROFB102_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
MET A 485
ASP A 530
LEU A 531
PRO A 534
TYR A 541
TRP A 544
ILE A 548
PHE A 552
MET A 569
SER A 580
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
ZN  A   1 (-2.5A)
None
None
None
None
NPV  A   3 (-3.8A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
0.45A 1xmuB-2qykA:
52.4
1xmuB-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 5 ASN A 533
THR A 545
MET A 549
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 ( 4.7A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.26A 1xmuB-2qykA:
52.4
1xmuB-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_A_CIOA603_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
6 / 12 TYR A 371
ASP A 413
ILE A 548
MET A 549
PHE A 552
MET A 569
NPV  A   3 (-4.4A)
MG  A   2 ( 2.6A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
1.45A 1xomA-2qykA:
52.4
1xomA-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_A_CIOA603_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
MET A 485
ASP A 530
LEU A 531
ILE A 548
MET A 549
PHE A 552
MET A 569
SER A 580
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
ZN  A   1 (-2.5A)
None
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.42A 1xomA-2qykA:
52.4
1xomA-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_B_CIOB601_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
MET A 485
LEU A 531
THR A 545
ILE A 548
MET A 549
PHE A 552
MET A 569
SER A 580
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.43A 1xomB-2qykA:
52.0
1xomB-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_B_CIOB601_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
7 / 12 TYR A 371
HIS A 376
MET A 485
THR A 545
SER A 580
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
ZN  A   1 (-3.3A)
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
1.48A 1xomB-2qykA:
52.0
1xomB-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
MET A 485
ASP A 530
LEU A 531
PRO A 534
TYR A 541
THR A 545
ILE A 548
MET A 569
SER A 580
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
ZN  A   1 (-2.5A)
None
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
0.52A 1xoqA-2qykA:
52.5
1xoqA-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
3 / 3 ASN A 533
TRP A 544
GLN A 581
NPV  A   3 (-4.4A)
None
NPV  A   3 (-3.1A)
0.13A 1xoqA-2qykA:
52.5
1xoqA-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
ASP A 530
LEU A 531
PRO A 534
TYR A 541
TRP A 544
THR A 545
ILE A 548
MET A 569
SER A 580
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
ZN  A   1 (-2.5A)
None
None
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
0.49A 1xoqB-2qykA:
51.9
1xoqB-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
3 / 3 MET A 485
ASN A 533
GLN A 581
None
NPV  A   3 (-4.4A)
NPV  A   3 (-3.1A)
0.32A 1xoqB-2qykA:
51.9
1xoqB-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
11 / 12 TYR A 371
HIS A 372
MET A 485
ASP A 530
LEU A 531
MET A 549
PHE A 552
MET A 569
GLN A 581
PHE A 584
ILE A 588
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
ZN  A   1 (-2.5A)
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
None
0.42A 1xosA-2qykA:
52.1
1xosA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
7 / 12 TYR A 371
HIS A 376
MET A 485
LEU A 531
GLN A 581
PHE A 584
ILE A 588
NPV  A   3 (-4.4A)
ZN  A   1 (-3.3A)
None
None
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
None
1.49A 1xosA-2qykA:
52.1
1xosA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
8 / 12 TYR A 371
MET A 485
ASP A 530
LEU A 531
MET A 549
PHE A 552
SER A 567
PHE A 584
NPV  A   3 (-4.4A)
None
ZN  A   1 (-2.5A)
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.8A)
None
NPV  A   3 (-3.3A)
1.15A 1xosA-2qykA:
52.1
1xosA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOT_A_VDNA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
MET A 485
LEU A 531
ILE A 548
MET A 549
SER A 567
MET A 569
SER A 580
GLN A 581
PHE A 584
ILE A 588
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
None
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
None
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
None
0.77A 1xotA-2qykA:
52.3
1xotA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOT_B_VDNB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
11 / 12 TYR A 371
HIS A 372
MET A 485
LEU A 531
ASN A 533
ILE A 548
MET A 549
SER A 567
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
None
NPV  A   3 (-4.4A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
None
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.63A 1xotB-2qykA:
52.3
1xotB-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOT_B_VDNB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
11 / 12 TYR A 371
HIS A 372
MET A 485
LEU A 531
ASN A 533
ILE A 548
MET A 549
SER A 567
MET A 569
SER A 580
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
None
NPV  A   3 (-4.4A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
None
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
0.69A 1xotB-2qykA:
52.3
1xotB-2qykA:
87.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H42_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 11 TYR A 371
HIS A 372
PHE A 552
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.44A 2h42A-2qykA:
36.1
2h42A-2qykA:
29.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H42_C_VIAC903_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 12 TYR A 371
LEU A 531
PHE A 552
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
None
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.42A 2h42C-2qykA:
35.9
2h42C-2qykA:
29.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
9 / 12 TYR A 371
HIS A 372
LEU A 531
ILE A 548
GLU A 551
PHE A 552
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
NPV  A   3 (-3.8A)
None
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
1.00A 2weyA-2qykA:
38.0
2weyA-2qykA:
29.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEY_B_EV1B1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 8 ILE A 548
PHE A 552
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-3.8A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.87A 2weyB-2qykA:
37.7
2weyB-2qykA:
29.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
6 / 12 TYR A 371
HIS A 372
LEU A 531
PHE A 552
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.61A 3b2rA-2qykA:
31.5
3b2rA-2qykA:
29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B2R_B_VDNB1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 11 TYR A 371
HIS A 372
LEU A 531
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.49A 3b2rB-2qykA:
31.5
3b2rB-2qykA:
29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZV_A_AZMA263_1
(CARBONIC ANHYDRASE
13)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 12 HIS A 376
HIS A 412
PHE A 584
THR A 483
VAL A 589
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
NPV  A   3 (-3.3A)
MG  A   2 ( 4.9A)
None
1.13A 3czvA-2qykA:
undetectable
3czvB-2qykA:
undetectable
3czvA-2qykA:
20.62
3czvB-2qykA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
MET A 485
ASN A 533
PRO A 534
TYR A 541
TRP A 544
THR A 545
ILE A 548
MET A 569
SER A 580
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
NPV  A   3 (-4.4A)
None
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
0.49A 3g4lA-2qykA:
51.8
3g4lA-2qykA:
85.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
3 / 3 ASP A 530
LEU A 531
GLN A 581
ZN  A   1 (-2.5A)
None
NPV  A   3 (-3.1A)
0.35A 3g4lA-2qykA:
51.8
3g4lA-2qykA:
85.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_B_ROFB902_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
MET A 485
ASP A 530
LEU A 531
PRO A 534
TRP A 544
THR A 545
ILE A 548
MET A 549
MET A 569
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
ZN  A   1 (-2.5A)
None
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.41A 3g4lB-2qykA:
52.0
3g4lB-2qykA:
85.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_C_ROFC903_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
MET A 485
ASP A 530
LEU A 531
ASN A 533
PRO A 534
TYR A 541
TRP A 544
THR A 545
ILE A 548
MET A 569
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
ZN  A   1 (-2.5A)
None
NPV  A   3 (-4.4A)
None
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 (-3.1A)
0.42A 3g4lC-2qykA:
52.2
3g4lC-2qykA:
85.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
3 / 3 SER A 580
GLN A 581
PHE A 584
NPV  A   3 (-4.5A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.22A 3g4lC-2qykA:
52.2
3g4lC-2qykA:
85.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
12 / 12 TYR A 371
HIS A 372
MET A 485
ASP A 530
LEU A 531
PRO A 534
TRP A 544
THR A 545
ILE A 548
MET A 549
SER A 580
GLN A 581
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
ZN  A   1 (-2.5A)
None
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.1A)
0.33A 3g4lD-2qykA:
53.9
3g4lD-2qykA:
85.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
7 / 12 TYR A 371
HIS A 376
MET A 485
LEU A 531
THR A 545
SER A 580
GLN A 581
NPV  A   3 (-4.4A)
ZN  A   1 (-3.3A)
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.1A)
1.49A 3g4lD-2qykA:
53.9
3g4lD-2qykA:
85.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_D_ROFD904_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
3 / 3 ASN A 533
MET A 569
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.69A 3g4lD-2qykA:
53.9
3g4lD-2qykA:
85.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IAK_A_EV1A415_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
8 / 9 TYR A 371
ASN A 533
ILE A 548
PHE A 552
MET A 569
GLN A 581
PHE A 584
ILE A 588
NPV  A   3 (-4.4A)
NPV  A   3 (-4.4A)
NPV  A   3 (-3.8A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
None
0.34A 3iakA-2qykA:
51.7
3iakA-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IAK_A_EV1A415_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
8 / 9 TYR A 371
MET A 485
ASN A 533
ILE A 548
PHE A 552
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
None
NPV  A   3 (-4.4A)
NPV  A   3 (-3.8A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.59A 3iakA-2qykA:
51.7
3iakA-2qykA:
82.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 9 TYR A 371
HIS A 372
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.90A 3jwqA-2qykA:
39.2
3jwqA-2qykA:
29.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_B_VIAB901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 11 TYR A 371
HIS A 372
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.75A 3jwqB-2qykA:
39.1
3jwqC-2qykA:
39.2
3jwqB-2qykA:
29.07
3jwqC-2qykA:
29.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 7 TYR A 371
HIS A 372
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.81A 3jwqC-2qykA:
39.2
3jwqC-2qykA:
29.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_D_VIAD901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
6 / 11 TYR A 371
HIS A 372
PHE A 552
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.84A 3jwqA-2qykA:
39.2
3jwqD-2qykA:
38.8
3jwqA-2qykA:
29.07
3jwqD-2qykA:
29.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TVX_A_PNXA902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
9 / 9 TYR A 371
LEU A 531
ASN A 533
PRO A 534
THR A 545
ILE A 548
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
None
NPV  A   3 (-4.4A)
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.28A 3tvxA-2qykA:
56.1
3tvxA-2qykA:
98.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
7 / 7 TYR A 371
ASN A 533
ILE A 548
PHE A 552
MET A 569
GLN A 581
PHE A 584
NPV  A   3 (-4.4A)
NPV  A   3 (-4.4A)
NPV  A   3 (-3.8A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
0.24A 3tvxB-2qykA:
56.1
3tvxB-2qykA:
98.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 8 GLU A 551
VAL A 369
HIS A 372
ASP A 413
HIS A 445
None
None
NPV  A   3 (-4.6A)
MG  A   2 ( 2.6A)
None
1.16A 5f8yA-2qykA:
undetectable
5f8yA-2qykA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
5 / 8 GLU A 551
VAL A 369
HIS A 372
ASP A 413
HIS A 445
None
None
NPV  A   3 (-4.6A)
MG  A   2 ( 2.6A)
None
1.18A 5f8yB-2qykA:
undetectable
5f8yB-2qykA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
4 / 8 HIS A 527
PHE A 584
PRO A 534
TYR A 371
None
NPV  A   3 (-3.3A)
None
NPV  A   3 (-4.4A)
1.28A 5v4vA-2qykA:
undetectable
5v4vA-2qykA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
4 / 8 HIS A 527
PHE A 584
PRO A 534
TYR A 371
None
NPV  A   3 (-3.3A)
None
NPV  A   3 (-4.4A)
1.29A 5v4vB-2qykA:
undetectable
5v4vB-2qykA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_B_LEVB801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo
sapiens)
3 / 3 TYR A 371
LEU A 375
ASP A 323
NPV  A   3 (-4.4A)
None
None
0.87A 5zv2B-2qykA:
undetectable
5zv2B-2qykA:
12.84