SIMILAR PATTERNS OF AMINO ACIDS FOR 1XLX_A_CIOA101_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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A2671
LEU A2574
THR A2566
MET A2564
GLN A2561
 CUO  A 888 (-3.4A)
None
None
None
None
 1.31A 1xlxA-1js8A:
undetectable		 1xlxA-1js8A:
21.08
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.
1m2p CASEIN KINASE II,
ALPHA CHAIN

(Zea mays) 		PF00069
(Pkinase) 		5 HIS A 154
LEU A  85
ILE A 174
MET A 163
PHE A 113
 None
None
HNA  A 351 (-3.8A)
HNA  A 351 ( 3.8A)
HNA  A 351 (-3.6A)
 1.48A 1xlxA-1m2pA:
undetectable		 1xlxA-1m2pA:
19.41
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.
1pja PALMITOYL-PROTEIN
THIOESTERASE 2
PRECURSOR

(Homo sapiens) 		PF02089
(Palm_thioest) 		5 LEU A 195
ASN A 177
ILE A 175
SER A 111
GLN A 112
 None
None
None
GOL  A1616 (-3.4A)
None
 1.31A 1xlxA-1pjaA:
undetectable		 1xlxA-1pjaA:
21.22
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) 		7 TYR A 736
HIS A 737
HIS A 825
THR A 952
ILE A 955
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.59A 1xlxA-1sojA:
41.6		 1xlxA-1sojA:
30.21
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.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 TYR A  10
LEU A  17
ILE A 281
SER A 297
PHE A 287
 None
 1.47A 1xlxA-1wu2A:
undetectable		 1xlxA-1wu2A:
21.33
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) 		6 TYR A 211
HIS A 212
HIS A 256
ASN A 365
GLN A 413
PHE A 416
 IBM  A 503 (-4.6A)
None
None
IBM  A 503 ( 4.7A)
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
 0.42A 1xlxA-1zklA:
45.3		 1xlxA-1zklA:
34.00
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.
1znp HYPOTHETICAL PROTEIN
ATU3615

(Agrobacterium
fabrum) 		PF06172
(Cupin_5) 		5 TYR A  25
HIS A  19
THR A  28
ILE A  43
SER A  40
 None
 1.42A 1xlxA-1znpA:
undetectable		 1xlxA-1znpA:
16.08
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.
2d2a SUFA PROTEIN

(Escherichia
coli) 		PF01521
(Fe-S_biosyn) 		5 HIS A  27
LEU A  99
ILE A 102
SER A 119
PHE A 120
 None
 1.32A 1xlxA-2d2aA:
undetectable		 1xlxA-2d2aA:
17.56
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.
2eyu TWITCHING MOTILITY
PROTEIN PILT

(Aquifex
aeolicus) 		PF00437
(T2SSE) 		5 MET A 218
LEU A 140
THR A 152
ILE A 153
SER A 147
 None
 1.43A 1xlxA-2eyuA:
undetectable		 1xlxA-2eyuA:
22.17
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.
2eyu TWITCHING MOTILITY
PROTEIN PILT

(Aquifex
aeolicus) 		PF00437
(T2SSE) 		5 MET A 218
THR A 152
ILE A 153
SER A 147
GLN A 279
 None
 1.47A 1xlxA-2eyuA:
undetectable		 1xlxA-2eyuA:
22.17
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) 		5 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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

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

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 281
ASN A 443
THR A 455
ILE A 458
MET A 459
 None
 0.81A 1xlxA-2qymA:
43.2		 1xlxA-2qymA:
75.78
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) 		9 TYR A 281
HIS A 282
HIS A 326
MET A 395
LEU A 441
ASN A 443
THR A 455
ILE A 458
PHE A 494
 None
 0.50A 1xlxA-2qymA:
43.2		 1xlxA-2qymA:
75.78
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.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		7 TYR A 680
HIS A 681
HIS A 725
MET A 797
ASN A 838
GLN A 887
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
None
IBM  A   3 (-4.5A)
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
 0.64A 1xlxA-2r8qA:
39.7		 1xlxA-2r8qA:
29.76
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.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		5 TYR A 680
HIS A 681
HIS A 725
MET A 797
THR A 854
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
None
None
 1.41A 1xlxA-2r8qA:
39.7		 1xlxA-2r8qA:
29.76
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 401
HIS A 458
LEU A  95
SER A 127
GLN A 126
 CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
None
None
None
 1.48A 1xlxA-3abgA:
undetectable		 1xlxA-3abgA:
20.55
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 CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 612
HIS A 613
HIS A 657
LEU A 765
GLN A 817
PHE A 820
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
None
VDN  A   1 ( 4.7A)
VDN  A   1 (-3.0A)
VDN  A   1 (-3.6A)
 0.96A 1xlxA-3b2rA:
30.9		 1xlxA-3b2rA:
28.16
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.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 612
HIS A 613
HIS A 657
LEU A 765
GLN A 775
 None
MG  A 877 (-4.4A)
MG  A 877 (-4.3A)
WAN  A 901 ( 4.7A)
WAN  A 901 ( 4.6A)
 1.23A 1xlxA-3bjcA:
33.6		 1xlxA-3bjcA:
17.38
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.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 612
HIS A 613
HIS A 657
LEU A 765
GLN A 817
PHE A 820
 None
MG  A 877 (-4.4A)
MG  A 877 (-4.3A)
WAN  A 901 ( 4.7A)
WAN  A 901 (-3.1A)
WAN  A 901 (-3.7A)
 0.60A 1xlxA-3bjcA:
33.6		 1xlxA-3bjcA:
17.38
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) 		9 TYR A 555
HIS A 556
HIS A 600
MET A 670
ASN A 729
ILE A 744
SER A 777
GLN A 778
PHE A 781
 None
None
None
IBM  A   3 (-4.5A)
None
IBM  A   3 (-4.3A)
None
IBM  A   3 (-3.4A)
IBM  A   3 (-3.5A)
 0.42A 1xlxA-3ecnA:
44.7		 1xlxA-3ecnA:
34.16
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) 		5 HIS A 330
MET A 439
LEU A 485
SER A 534
PHE A 538
 ZN  A 801 (-3.4A)
D71  A 901 ( 4.0A)
None
D71  A 901 (-3.4A)
D71  A 901 (-3.9A)
 1.38A 1xlxA-3g4gA:
51.0		 1xlxA-3g4gA:
66.45
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) 		6 HIS A 330
MET A 439
LEU A 485
THR A 499
GLN A 535
PHE A 538
 ZN  A 801 (-3.4A)
D71  A 901 ( 4.0A)
None
D71  A 901 (-3.6A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 1.35A 1xlxA-3g4gA:
51.0		 1xlxA-3g4gA:
66.45
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 HIS A 370
MET A 439
LEU A 485
ASN A 487
ILE A 502
MET A 503
SER A 534
PHE A 538
 None
D71  A 901 ( 4.0A)
None
D71  A 901 (-4.5A)
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 (-3.4A)
D71  A 901 (-3.9A)
 0.88A 1xlxA-3g4gA:
51.0		 1xlxA-3g4gA:
66.45
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) 		9 HIS A 370
MET A 439
LEU A 485
ASN A 487
THR A 499
ILE A 502
MET A 503
GLN A 535
PHE A 538
 None
D71  A 901 ( 4.0A)
None
D71  A 901 (-4.5A)
D71  A 901 (-3.6A)
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.70A 1xlxA-3g4gA:
51.0		 1xlxA-3g4gA:
66.45
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) 		9 TYR A 325
HIS A 326
HIS A 370
LEU A 485
ASN A 487
ILE A 502
MET A 503
SER A 534
PHE A 538
 None
D71  A 901 (-4.5A)
None
None
D71  A 901 (-4.5A)
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 (-3.4A)
D71  A 901 (-3.9A)
 0.66A 1xlxA-3g4gA:
51.0		 1xlxA-3g4gA:
66.45
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) 		10 TYR A 325
HIS A 326
HIS A 370
LEU A 485
ASN A 487
THR A 499
ILE A 502
MET A 503
GLN A 535
PHE A 538
 None
D71  A 901 (-4.5A)
None
None
D71  A 901 (-4.5A)
D71  A 901 (-3.6A)
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.47A 1xlxA-3g4gA:
51.0		 1xlxA-3g4gA:
66.45
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.
3hoc FILAMIN-A

(Homo sapiens) 		PF00307
(CH) 		5 LEU A 172
THR A 186
ILE A 185
SER A 189
PHE A 188
 None
 1.34A 1xlxA-3hocA:
undetectable		 1xlxA-3hocA:
22.44
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.
3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A

(Drosophila
melanogaster) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 MET A 418
LEU A 406
ASN A 373
ILE A 330
SER A 412
 None
 1.31A 1xlxA-3i2tA:
undetectable		 1xlxA-3i2tA:
24.73
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		7 TYR A 655
HIS A 656
HIS A 700
LEU A 809
ILE A 826
GLN A 859
PHE A 862
 None
 0.99A 1xlxA-3ibjA:
32.5		 1xlxA-3ibjA:
19.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n3z HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 252
HIS A 296
MET A 365
ASN A 405
GLN A 453
 None
None
None
IBM  A   1 (-3.5A)
IBM  A   1 (-3.5A)
 0.83A 1xlxA-3n3zA:
41.1		 1xlxA-3n3zA:
30.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n3z HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 252
HIS A 296
MET A 365
GLN A 453
PHE A 456
 None
None
None
IBM  A   1 (-3.5A)
IBM  A   1 (-3.4A)
 0.63A 1xlxA-3n3zA:
41.1		 1xlxA-3n3zA:
30.69
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) 		5 HIS A 274
MET A 347
THR A 407
GLN A 443
PHE A 446
 ZN  A   1 (-3.3A)
ZG2  A 506 (-3.9A)
ZG2  A 506 (-4.3A)
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 1.47A 1xlxA-3o57A:
53.5		 1xlxA-3o57A:
93.83
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) 		12 TYR A 233
HIS A 234
HIS A 278
MET A 347
LEU A 393
ASN A 395
THR A 407
ILE A 410
MET A 411
SER A 442
GLN A 443
PHE A 446
 None
None
None
ZG2  A 506 (-3.9A)
None
ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.4A)
None
None
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.55A 1xlxA-3o57A:
53.5		 1xlxA-3o57A:
93.83
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.
3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 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.
3rst SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		5 TYR A  84
HIS A  86
LEU A 107
ILE A  69
SER A 147
 None
 1.46A 1xlxA-3rstA:
undetectable		 1xlxA-3rstA:
20.85
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) 		5 HIS A 315
LEU A 399
THR A 333
SER A 368
GLN A 369
 HIS  A 315 ( 1.0A)
LEU  A 399 ( 0.6A)
THR  A 333 ( 0.8A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
 1.31A 1xlxA-3sl5A:
51.0		 1xlxA-3sl5A:
84.81
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) 		12 TYR A 159
HIS A 160
HIS A 204
MET A 273
LEU A 319
ASN A 321
THR A 333
ILE A 336
MET A 337
SER A 368
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
HIS  A 204 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.54A 1xlxA-3sl5A:
51.0		 1xlxA-3sl5A:
84.81
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.
3tqg 2-METHYLCITRATE
SYNTHASE

(Coxiella
burnetii) 		PF00285
(Citrate_synt) 		5 TYR A 315
LEU A 307
ASN A 222
THR A 326
ILE A 328
 None
 1.47A 1xlxA-3tqgA:
undetectable		 1xlxA-3tqgA:
23.17
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) 		7 TYR A 524
HIS A 525
HIS A 567
LEU A 675
ILE A 692
GLN A 726
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
None
C1L  A   1 (-4.3A)
C1L  A   1 (-4.3A)
C1L  A   1 (-2.9A)
C1L  A   1 (-3.5A)
 0.91A 1xlxA-3ui7A:
38.0		 1xlxA-3ui7A:
27.10
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.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		6 TYR A 367
HIS A 368
HIS A 413
ILE A 538
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
None
None
WYQ  A 701 ( 4.1A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.43A 1xlxA-3v94A:
40.1		 1xlxA-3v94A:
27.11
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.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		6 TYR A 367
HIS A 413
MET A 482
ILE A 538
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
None
WYQ  A 701 (-4.5A)
WYQ  A 701 ( 4.1A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.85A 1xlxA-3v94A:
40.1		 1xlxA-3v94A:
27.11
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.
4bn5 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		5 LEU A 347
ASN A 344
THR A 320
ILE A 317
MET A 143
 None
CNA  A1395 (-3.3A)
CNA  A1395 (-4.2A)
None
None
 1.45A 1xlxA-4bn5A:
undetectable		 1xlxA-4bn5A:
19.49
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 HIS A 105
LEU A 164
THR A 342
SER A 356
PHE A 354
 None
 1.41A 1xlxA-4fzvA:
undetectable		 1xlxA-4fzvA:
21.50
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.
4hl6 UNCHARACTERIZED
PROTEIN YFDE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 MET A 106
LEU A  97
ILE A 119
SER A  85
PHE A  87
 None
 1.36A 1xlxA-4hl6A:
undetectable		 1xlxA-4hl6A:
24.83
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) 		7 TYR A 655
HIS A 656
HIS A 700
LEU A 809
ILE A 826
GLN A 859
PHE A 862
 None
 0.67A 1xlxA-4htzA:
38.7		 1xlxA-4htzA:
27.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		6 TYR A 668
HIS A 669
HIS A 713
MET A 785
ASN A 825
GLN A 874
 None
 0.67A 1xlxA-4i15A:
38.9		 1xlxA-4i15A:
31.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		6 TYR A 668
HIS A 669
HIS A 713
MET A 785
ASN A 825
PHE A 877
 None
 0.52A 1xlxA-4i15A:
38.9		 1xlxA-4i15A:
31.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		5 TYR A 668
HIS A 669
HIS A 713
MET A 785
THR A 841
 None
 1.45A 1xlxA-4i15A:
38.9		 1xlxA-4i15A:
31.92
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.
4j8b COATOMER ALPHA
SUBUNIT

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 HIS A 255
LEU A 326
THR A 305
ILE A 304
PHE A 324
 None
 1.21A 1xlxA-4j8bA:
undetectable		 1xlxA-4j8bA:
21.80
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.
4kwb SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		5 TYR A  84
HIS A  86
LEU A 107
ILE A  69
SER A 147
 None
 1.45A 1xlxA-4kwbA:
undetectable		 1xlxA-4kwbA:
20.05
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.
4q8g PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		PF13423
(UCH_1) 		5 MET A 703
LEU A 735
ILE A 695
SER A 773
PHE A 760
 None
 1.07A 1xlxA-4q8gA:
undetectable		 1xlxA-4q8gA:
19.88
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.
4r58 LEUCINE RICH REPEAT
PROTEIN

(synthetic
construct) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		5 LEU A 180
ASN A 183
THR A 142
ILE A 141
SER A 145
 None
 1.41A 1xlxA-4r58A:
undetectable		 1xlxA-4r58A:
19.60
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.
4r58 LEUCINE RICH REPEAT
PROTEIN

(synthetic
construct) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		5 LEU A 202
ASN A 205
THR A 164
ILE A 163
SER A 167
 None
 1.44A 1xlxA-4r58A:
undetectable		 1xlxA-4r58A:
19.60
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) 		12 TYR A 405
HIS A 406
HIS A 450
MET A 519
LEU A 565
ASN A 567
THR A 579
ILE A 582
MET A 583
SER A 614
GLN A 615
PHE A 618
 None
MG  A 804 ( 4.9A)
None
None
None
None
None
None
None
None
None
None
 0.65A 1xlxA-4wziA:
52.1		 1xlxA-4wziA:
61.39
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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 HIS A 160
HIS A 155
LEU A 313
THR A  70
ILE A 105
 ZN  A 401 (-3.2A)
ZN  A 402 (-3.5A)
None
None
None
 1.37A 1xlxA-4xukA:
undetectable		 1xlxA-4xukA:
20.30
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 HIS A 150
HIS A 145
ASN A  96
THR A  56
ILE A  95
 ZN  A 402 (-3.2A)
ZN  A 401 (-3.3A)
None
None
None
 1.38A 1xlxA-4zo3A:
undetectable		 1xlxA-4zo3A:
23.41
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) 		8 TYR A 222
HIS A 223
HIS A 267
MET A 336
THR A 385
SER A 420
GLN A 421
PHE A 424
 None
4QJ  A 603 ( 4.9A)
None
4QJ  A 603 ( 3.9A)
None
4QJ  A 603 (-4.7A)
4QJ  A 603 (-3.0A)
4QJ  A 603 (-3.5A)
 0.67A 1xlxA-5b25A:
44.0		 1xlxA-5b25A:
35.63
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		5 HIS A 183
LEU A 212
ILE A 283
SER A 595
GLN A 201
 None
 1.38A 1xlxA-5ehkA:
undetectable		 1xlxA-5ehkA:
16.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 7 TYR A 668
HIS A 669
HIS A 713
MET A 785
ASN A 826
GLN A 875
PHE A 878
 LLN  A1003 ( 4.8A)
None
None
LLN  A1003 (-4.0A)
LLN  A1003 (-4.4A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
 0.43A 1xlxA-5h2rA:
39.6		 1xlxA-5h2rA:
32.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 5 TYR A 668
HIS A 669
HIS A 713
MET A 785
THR A 842
 LLN  A1003 ( 4.8A)
None
None
LLN  A1003 (-4.0A)
LLN  A1003 (-3.6A)
 1.42A 1xlxA-5h2rA:
39.6		 1xlxA-5h2rA:
32.23
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.
5kr6 4-AMINOBUTYRATE
TRANSAMINASE

(Pseudomonas) 		PF00202
(Aminotran_3) 		5 HIS A 275
LEU A 256
THR A 285
ILE A 284
GLN A 127
 None
 1.45A 1xlxA-5kr6A:
undetectable		 1xlxA-5kr6A:
24.75
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		5 LEU L 247
THR L  97
ILE L 100
MET L 101
PHE L 124
 None
 1.41A 1xlxA-5lnkL:
undetectable		 1xlxA-5lnkL:
20.65
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.
5mov CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 HIS A 154
LEU A  85
ILE A 174
MET A 163
PHE A 113
 None
None
HC4  A 401 ( 3.7A)
HC4  A 401 ( 4.0A)
HC4  A 401 (-3.4A)
 1.49A 1xlxA-5movA:
undetectable		 1xlxA-5movA:
24.52
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.
5mqc VP1
VP3

(Black queen
cell virus) 		PF08762
(CRPV_capsid)
no annotation 		5 HIS C 113
MET C 120
LEU A  47
ASN A  43
PHE A  41
 None
 1.38A 1xlxA-5mqcC:
undetectable		 1xlxA-5mqcC:
21.43
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 5 HIS A 446
MET A 519
THR A 579
GLN A 615
PHE A 618
 ZN  A 699 (-3.2A)
9VE  A 801 (-3.8A)
9VE  A 801 (-4.1A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 1.43A 1xlxA-5ohjA:
52.6		 1xlxA-5ohjA:
11.31
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 12 TYR A 405
HIS A 406
HIS A 450
MET A 519
LEU A 565
ASN A 567
THR A 579
ILE A 582
MET A 583
SER A 614
GLN A 615
PHE A 618
 None
None
None
9VE  A 801 (-3.8A)
9VE  A 801 (-4.7A)
9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
9VE  A 801 ( 4.0A)
9VE  A 801 (-4.7A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 0.36A 1xlxA-5ohjA:
52.6		 1xlxA-5ohjA:
11.31
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.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 6 HIS A  83
HIS A 126
MET A 195
LEU A 237
ASN A 239
PHE A 291
 None
 0.71A 1xlxA-5vydA:
40.4		 1xlxA-5vydA:
29.53
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 5 HIS A 200
MET A 273
THR A 333
GLN A 369
PHE A 372
 ZN  A 602 (-3.3A)
AKJ  A 601 ( 3.9A)
AKJ  A 601 (-4.1A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 1.49A 1xlxA-5wh6A:
52.2		 1xlxA-5wh6A:
undetectable
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 12 TYR A 159
HIS A 160
HIS A 204
MET A 273
LEU A 319
ASN A 321
THR A 333
ILE A 336
MET A 337
SER A 368
GLN A 369
PHE A 372
 AKJ  A 601 ( 4.7A)
None
None
AKJ  A 601 ( 3.9A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-4.3A)
AKJ  A 601 (-4.1A)
AKJ  A 601 (-3.8A)
AKJ  A 601 ( 3.7A)
AKJ  A 601 (-2.5A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 0.43A 1xlxA-5wh6A:
52.2		 1xlxA-5wh6A:
undetectable