SIMILAR PATTERNS OF AMINO ACIDS FOR 3TVX_A_PNXA902_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1dgs DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 LEU A 123
PRO A 154
THR A 152
ILE A 150
PHE A 220
 None
 1.28A 3tvxA-1dgsA:
undetectable		 3tvxA-1dgsA:
18.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 736
PRO A 941
THR A 952
ILE A 955
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.53A 3tvxA-1sojA:
41.2		 3tvxA-1sojA:
30.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 211
ASN A 365
PRO A 366
GLN A 413
PHE A 416
 IBM  A 503 (-4.6A)
IBM  A 503 ( 4.7A)
None
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
 0.56A 3tvxA-1zklA:
45.2		 3tvxA-1zklA:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		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.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 281
LEU A 441
ASN A 443
PRO A 444
THR A 455
ILE A 458
PHE A 494
 None
 0.73A 3tvxA-2qymA:
45.4		 3tvxA-2qymA:
83.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 555
ASN A 729
PRO A 730
ILE A 744
GLN A 778
PHE A 781
 None
None
None
IBM  A   3 (-4.3A)
IBM  A   3 (-3.4A)
IBM  A   3 (-3.5A)
 0.36A 3tvxA-3ecnA:
44.3		 3tvxA-3ecnA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 325
LEU A 485
ASN A 487
PRO A 488
THR A 499
ILE A 502
GLN A 535
PHE A 538
 None
None
D71  A 901 (-4.5A)
None
D71  A 901 (-3.6A)
D71  A 901 (-4.1A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.42A 3tvxA-3g4gA:
51.2		 3tvxA-3g4gA:
70.39
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		5 TYR A 655
LEU A 809
ILE A 826
GLN A 859
PHE A 862
 None
 0.76A 3tvxA-3ibjA:
33.1		 3tvxA-3ibjA:
18.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		6 PRO A 396
THR A 407
ILE A 410
MET A 431
GLN A 443
PHE A 446
 ZG2  A 506 ( 4.5A)
ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.4A)
ZG2  A 506 (-3.4A)
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.74A 3tvxA-3o57A:
52.8		 3tvxA-3o57A:
86.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 233
LEU A 393
ASN A 395
PRO A 396
THR A 407
ILE A 410
GLN A 443
PHE A 446
 None
None
ZG2  A 506 (-4.3A)
ZG2  A 506 ( 4.5A)
ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.4A)
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.40A 3tvxA-3o57A:
52.8		 3tvxA-3o57A:
86.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		9 TYR A 159
LEU A 319
ASN A 321
PRO A 322
THR A 333
ILE A 336
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
PRO  A 322 (-1.1A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.46A 3tvxA-3sl5A:
51.5		 3tvxA-3sl5A:
85.84
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.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 524
LEU A 675
ILE A 692
MET A 713
GLN A 726
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.3A)
C1L  A   1 (-4.3A)
C1L  A   1 (-3.7A)
C1L  A   1 (-2.9A)
C1L  A   1 (-3.5A)
 1.04A 3tvxA-3ui7A:
38.5		 3tvxA-3ui7A:
28.73
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.
4egt MAJOR CAPSID PROTEIN
VP60

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		5 LEU A 243
PRO A 491
THR A 495
GLN A 490
PHE A 534
 None
 1.42A 3tvxA-4egtA:
undetectable		 3tvxA-4egtA:
21.27
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.
4hl7 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Vibrio cholerae) 		PF04095
(NAPRTase) 		5 TYR A  41
LEU A 130
ILE A 121
GLN A 103
PHE A  98
 None
 1.22A 3tvxA-4hl7A:
undetectable		 3tvxA-4hl7A:
21.38
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 655
LEU A 809
ILE A 826
GLN A 859
PHE A 862
 None
 0.54A 3tvxA-4htzA:
39.0		 3tvxA-4htzA:
28.98
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 655
LEU A 809
ILE A 826
MET A 847
PHE A 862
 None
 0.91A 3tvxA-4htzA:
39.0		 3tvxA-4htzA:
28.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASN A 567
THR A 579
ILE A 582
MET A 603
GLN A 615
 None
 1.03A 3tvxA-4wziA:
52.5		 3tvxA-4wziA:
50.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 405
LEU A 565
ASN A 567
PRO A 568
THR A 579
ILE A 582
GLN A 615
PHE A 618
 None
 0.56A 3tvxA-4wziA:
52.5		 3tvxA-4wziA:
50.26
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.
4x1z VP1

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		5 LEU A 243
PRO A 491
THR A 495
GLN A 490
PHE A 534
 None
 1.47A 3tvxA-4x1zA:
undetectable		 3tvxA-4x1zA:
20.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 222
PRO A 374
THR A 385
GLN A 421
PHE A 424
 None
None
None
4QJ  A 603 (-3.0A)
4QJ  A 603 (-3.5A)
 0.47A 3tvxA-5b25A:
43.5		 3tvxA-5b25A:
37.67
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 9 TYR A 405
LEU A 565
ASN A 567
PRO A 568
THR A 579
ILE A 582
MET A 603
GLN A 615
PHE A 618
 None
9VE  A 801 (-4.7A)
9VE  A 801 (-4.1A)
9VE  A 801 (-3.9A)
9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
9VE  A 801 (-3.6A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 0.60A 3tvxA-5ohjA:
54.7		 3tvxA-5ohjA:
13.25
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 9 TYR A 159
LEU A 319
ASN A 321
PRO A 322
THR A 333
ILE A 336
MET A 357
GLN A 369
PHE A 372
 AKJ  A 601 ( 4.7A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-4.3A)
AKJ  A 601 (-3.9A)
AKJ  A 601 (-4.1A)
AKJ  A 601 (-3.8A)
AKJ  A 601 (-3.4A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 0.48A 3tvxA-5wh6A:
52.3		 3tvxA-5wh6A:
undetectable