SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qi3'

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.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		5 / 12 HIS A 252
HIS A 296
MET A 365
ASN A 405
PHE A 456
 PDB  A 600 (-4.6A)
None
PDB  A 600 ( 4.7A)
PDB  A 600 (-4.4A)
PDB  A 600 (-3.5A)
 0.54A 1xlxA-3qi3A:
41.5		 1xlxA-3qi3A:
26.68
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.
2OZ7_A_CA4A1_2
(ANDROGEN RECEPTOR)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		4 / 6 LEU A 205
MET A 263
MET A 218
LEU A 196
 None
 1.47A 2oz7A-3qi3A:
undetectable		 2oz7A-3qi3A:
18.79
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.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		4 / 8 HIS A 292
ASP A 402
ILE A 403
HIS A 256
 ZN  A 534 (-3.3A)
ZN  A 534 (-2.7A)
PDB  A 600 ( 4.3A)
ZN  A 534 (-3.3A)
 0.95A 2xadA-3qi3A:
undetectable		 2xadA-3qi3A:
20.79
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.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		4 / 8 HIS A 292
ASP A 402
ILE A 403
HIS A 256
 ZN  A 534 (-3.3A)
ZN  A 534 (-2.7A)
PDB  A 600 ( 4.3A)
ZN  A 534 (-3.3A)
 0.99A 2xadB-3qi3A:
undetectable		 2xadB-3qi3A:
20.79
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.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		4 / 8 HIS A 292
ASP A 402
ILE A 403
HIS A 256
 ZN  A 534 (-3.3A)
ZN  A 534 (-2.7A)
PDB  A 600 ( 4.3A)
ZN  A 534 (-3.3A)
 0.97A 2xadD-3qi3A:
undetectable		 2xadD-3qi3A:
20.79
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		3 / 3 CYH A 241
HIS A 243
PHE A 240
 None
 1.11A 3cr4X-3qi3A:
undetectable		 3cr4X-3qi3A:
14.11
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.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		5 / 12 HIS A 252
MET A 365
ASN A 405
TRP A 416
PHE A 456
 PDB  A 600 (-4.6A)
PDB  A 600 ( 4.7A)
PDB  A 600 (-4.4A)
None
PDB  A 600 (-3.5A)
 0.58A 3g4lA-3qi3A:
41.8		 3g4lA-3qi3A:
24.78
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.
3G4L_B_ROFB902_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		5 / 12 HIS A 252
MET A 365
ASP A 402
TRP A 416
PHE A 456
 PDB  A 600 (-4.6A)
PDB  A 600 ( 4.7A)
ZN  A 534 (-2.7A)
None
PDB  A 600 (-3.5A)
 0.59A 3g4lB-3qi3A:
41.4		 3g4lB-3qi3A:
24.78
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.
3G4L_C_ROFC903_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		5 / 12 HIS A 252
MET A 365
ASP A 402
ASN A 405
TRP A 416
 PDB  A 600 (-4.6A)
PDB  A 600 ( 4.7A)
ZN  A 534 (-2.7A)
PDB  A 600 (-4.4A)
None
 0.55A 3g4lC-3qi3A:
41.6		 3g4lC-3qi3A:
24.78
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.
3WG7_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		4 / 6 LEU A 483
PHE A 465
LEU A 461
PHE A 456
 None
None
None
PDB  A 600 (-3.5A)
 1.06A 3wg7C-3qi3A:
3.4
3wg7J-3qi3A:
undetectable		 3wg7C-3qi3A:
18.44
3wg7J-3qi3A:
7.69
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.
3WG7_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		4 / 6 LEU A 483
PHE A 465
LEU A 461
PHE A 456
 None
None
None
PDB  A 600 (-3.5A)
 1.04A 3wg7P-3qi3A:
3.4
3wg7W-3qi3A:
undetectable		 3wg7P-3qi3A:
18.44
3wg7W-3qi3A:
7.69
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.
4OJ4_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		5 / 8 CYH A 401
SER A 404
VAL A 468
ILE A 396
MET A 267
 None
 1.36A 4oj4A-3qi3A:
2.1		 4oj4A-3qi3A:
19.85
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.
4UYM_B_VORB590_1
(14-ALPHA STEROL
DEMETHYLASE)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		4 / 7 TYR A 219
ALA A 288
ILE A 352
LEU A 333
 None
 1.13A 4uymB-3qi3A:
undetectable		 4uymB-3qi3A:
21.59
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.
5H2U_A_1N1A501_2
(PROTEIN-TYROSINE
KINASE 6)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		3 / 3 ILE A 454
MET A 410
ASP A 488
 None
 0.77A 5h2uA-3qi3A:
undetectable		 5h2uA-3qi3A:
20.11
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.
5KXI_A_NCTA402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		4 / 8 TYR A 219
CYH A 291
TRP A 238
LEU A 333
 None
 1.41A 5kxiA-3qi3A:
3.9
5kxiB-3qi3A:
4.2		 5kxiA-3qi3A:
19.82
5kxiB-3qi3A:
21.49
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.
5KXI_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		4 / 8 TYR A 219
CYH A 291
TRP A 238
LEU A 333
 None
 1.45A 5kxiD-3qi3A:
6.3
5kxiE-3qi3A:
4.2		 5kxiD-3qi3A:
19.82
5kxiE-3qi3A:
21.49
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.
5OEX_A_CUA604_0
(THIOCYANATE
DEHYDROGENASE)		 3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens) 		3 / 3 HIS A 256
HIS A 252
HIS A 296
 ZN  A 534 (-3.3A)
PDB  A 600 (-4.6A)
None
 1.02A 5oexA-3qi3A:
undetectable		 5oexA-3qi3A:
22.48