SIMILAR PATTERNS OF AMINO ACIDS FOR 1XOT_A_VDNA101_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.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 MET A 414
LEU A 116
ILE A 406
PHE A 130
ILE A 141
 None
 1.10A 1xotA-1auxA:
undetectable		 1xotA-1auxA:
20.85
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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 LEU B 110
ILE B 248
MET B 245
PHE B 150
ILE B  75
 None
 1.35A 1xotA-1bouB:
undetectable		 1xotA-1bouB:
23.00
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.
1dbn PROTEIN
(LEUKOAGGLUTININ)

(Maackia
amurensis) 		PF00139
(Lectin_legB) 		5 LEU A 182
ILE A  58
SER A 237
PHE A  69
ILE A 173
 None
 1.13A 1xotA-1dbnA:
undetectable		 1xotA-1dbnA:
20.46
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A 400
SER A 529
MET A 528
GLN A 331
ILE A 328
 None
 1.37A 1xotA-1gpeA:
undetectable		 1xotA-1gpeA:
21.17
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A 400
SER A 529
SER A 523
GLN A 331
ILE A 328
 None
 1.31A 1xotA-1gpeA:
undetectable		 1xotA-1gpeA:
21.17
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.
1i7n SYNAPSIN II

(Rattus
norvegicus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 MET A 415
LEU A 117
ILE A 407
PHE A 131
ILE A 142
 None
 1.11A 1xotA-1i7nA:
undetectable		 1xotA-1i7nA:
20.53
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.
1pk8 RAT SYNAPSIN I

(Rattus
norvegicus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 MET A 414
LEU A 116
ILE A 406
PHE A 130
ILE A 141
 None
 1.09A 1xotA-1pk8A:
undetectable		 1xotA-1pk8A:
20.54
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.
1qqj FUMARYLACETOACETATE
HYDROLASE

(Mus musculus) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		5 LEU A 196
ILE A 239
SER A 254
PHE A 255
ILE A 173
 None
 1.38A 1xotA-1qqjA:
undetectable		 1xotA-1qqjA:
20.13
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
ILE A 955
SER A 974
GLN A 988
PHE A 991
ILE A 995
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
None
 0.67A 1xotA-1sojA:
41.8		 1xotA-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.
1uhg OVALBUMIN

(Gallus gallus) 		PF00079
(Serpin) 		5 ILE A  86
SER A 240
MET A 239
PHE A  99
ILE A 178
 None
 1.22A 1xotA-1uhgA:
undetectable		 1xotA-1uhgA:
20.83
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.
1v2b 23-KDA POLYPEPTIDE
OF PHOTOSYSTEM II
OXYGEN-EVOLVING
COMPLEX

(Nicotiana
tabacum) 		PF01789
(PsbP) 		5 TYR A  86
LEU A 156
GLN A  83
PHE A  74
ILE A  71
 None
 1.37A 1xotA-1v2bA:
undetectable		 1xotA-1v2bA:
19.46
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.
1wni TRIMERELYSIN II

(Protobothrops
flavoviridis) 		PF01421
(Reprolysin) 		5 HIS A  96
MET A 116
ILE A  40
SER A 181
ILE A 197
 None
 1.36A 1xotA-1wniA:
undetectable		 1xotA-1wniA:
16.67
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
HIS A 212
SER A 399
GLN A 413
PHE A 416
 IBM  A 503 (-4.6A)
None
None
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
 0.87A 1xotA-1zklA:
45.3		 1xotA-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.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea) 		PF00246
(Peptidase_M14) 		5 HIS A 196
LEU A 108
SER A 260
PHE A  63
ILE A 182
 ZN  A 625 (-3.3A)
None
None
None
None
 1.23A 1xotA-2c1cA:
undetectable		 1xotA-2c1cA:
20.10
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.
2cav PROTEIN (CANAVALIN)

(Canavalia
ensiformis) 		PF00190
(Cupin_1) 		5 LEU A 283
ILE A 138
SER A 104
GLN A 275
ILE A 281
 None
 1.22A 1xotA-2cavA:
undetectable		 1xotA-2cavA:
22.75
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		5 LEU B  64
ILE B 195
SER B 248
SER B 160
PHE B 159
 None
 1.33A 1xotA-2f9yB:
undetectable		 1xotA-2f9yB:
23.43
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.
2j5t GLUTAMATE 5-KINASE

(Escherichia
coli) 		PF00696
(AA_kinase)
PF01472
(PUA) 		5 MET A 214
LEU A 174
ILE A 194
PHE A 255
ILE A 233
 None
 1.14A 1xotA-2j5tA:
undetectable		 1xotA-2j5tA:
21.46
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.
2kkn UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF12850
(Metallophos_2) 		5 LEU A 145
ILE A  84
MET A  86
SER A   8
PHE A   4
 None
 1.38A 1xotA-2kknA:
undetectable		 1xotA-2kknA:
22.14
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.
2pcs CONSERVED PROTEIN

(Geobacillus
kaustophilus) 		PF06240
(COXG) 		5 TYR A  74
LEU A  26
ILE A  93
PHE A 136
ILE A  30
 UNL  A 161 (-4.3A)
UNL  A 161 (-3.9A)
None
UNL  A 161 (-4.2A)
UNL  A 161 ( 4.7A)
 1.35A 1xotA-2pcsA:
undetectable		 1xotA-2pcsA:
16.33
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.
2pjs UNCHARACTERIZED
PROTEIN ATU1953

(Agrobacterium
fabrum) 		PF00903
(Glyoxalase) 		5 LEU A 102
SER A  42
MET A  28
PHE A  21
ILE A 110
 None
 1.21A 1xotA-2pjsA:
undetectable		 1xotA-2pjsA:
16.33
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.
2qwv UPF0217 PROTEIN
VC_A1059

(Vibrio cholerae) 		PF04013
(Methyltrn_RNA_2) 		5 MET A 136
LEU A 180
ILE A 146
GLN A 201
ILE A 194
 ACY  A 301 ( 4.9A)
ACY  A 301 (-4.1A)
None
None
None
 1.09A 1xotA-2qwvA:
undetectable		 1xotA-2qwvA:
19.80
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
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.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 281
HIS A 282
MET A 395
LEU A 441
ILE A 458
PHE A 494
ILE A 498
 None
 0.67A 1xotA-2qymA:
43.3		 1xotA-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) 		5 TYR A 680
HIS A 681
MET A 797
GLN A 887
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
 0.50A 1xotA-2r8qA:
39.6		 1xotA-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
MET A 797
MET A 874
GLN A 887
PHE A 890
 IBM  A   3 ( 4.7A)
None
IBM  A   3 ( 3.8A)
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
 0.83A 1xotA-2r8qA:
39.6		 1xotA-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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 TYR G1733
LEU G1717
GLN G1775
PHE G1776
ILE G1709
 None
 1.21A 1xotA-2uv8G:
undetectable		 1xotA-2uv8G:
10.85
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.
2uyy N-PAC PROTEIN

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 MET A 360
ILE A 326
SER A 415
PHE A 417
ILE A 401
 None
 1.37A 1xotA-2uyyA:
undetectable		 1xotA-2uyyA:
22.00
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.
2w21 GLUTAMATE 5-KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 MET A 214
LEU A 174
ILE A 194
PHE A 255
ILE A 233
 None
 1.06A 1xotA-2w21A:
undetectable		 1xotA-2w21A:
21.64
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.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 TYR A 471
ILE A 467
SER A 178
PHE A 177
ILE A  33
 None
 1.37A 1xotA-2ww9A:
undetectable		 1xotA-2ww9A:
19.80
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.
2ypj ENDOGLUCANASE CEL5A

([Eubacterium]
cellulosolvens) 		no annotation 5 TYR A 706
MET A 620
LEU A 624
SER A 592
ILE A 686
 None
 1.31A 1xotA-2ypjA:
undetectable		 1xotA-2ypjA:
18.91
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
LEU A 765
GLN A 817
PHE A 820
ILE A 824
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
VDN  A   1 ( 4.7A)
VDN  A   1 (-3.0A)
VDN  A   1 (-3.6A)
None
 0.58A 1xotA-3b2rA:
31.0		 1xotA-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) 		6 TYR A 612
HIS A 613
LEU A 765
GLN A 817
PHE A 820
ILE A 824
 None
MG  A 877 (-4.4A)
WAN  A 901 ( 4.7A)
WAN  A 901 (-3.1A)
WAN  A 901 (-3.7A)
None
 0.55A 1xotA-3bjcA:
33.7		 1xotA-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) 		5 TYR A 612
HIS A 617
GLN A 817
PHE A 820
ILE A 824
 None
ZN  A 876 (-3.3A)
WAN  A 901 (-3.1A)
WAN  A 901 (-3.7A)
None
 1.33A 1xotA-3bjcA:
33.7		 1xotA-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) 		6 TYR A 555
HIS A 556
ILE A 744
GLN A 778
PHE A 781
ILE A 786
 None
None
IBM  A   3 (-4.3A)
IBM  A   3 (-3.4A)
IBM  A   3 (-3.5A)
None
 1.31A 1xotA-3ecnA:
44.8		 1xotA-3ecnA:
34.16
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) 		7 TYR A 555
HIS A 556
MET A 670
ILE A 744
SER A 777
GLN A 778
PHE A 781
 None
None
IBM  A   3 (-4.5A)
IBM  A   3 (-4.3A)
None
IBM  A   3 (-3.4A)
IBM  A   3 (-3.5A)
 0.57A 1xotA-3ecnA:
44.8		 1xotA-3ecnA:
34.16
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.
3feu PUTATIVE LIPOPROTEIN

(Aliivibrio
fischeri) 		PF13462
(Thioredoxin_4) 		5 LEU A  41
ILE A 163
SER A 145
PHE A 153
ILE A  52
 None
 1.36A 1xotA-3feuA:
undetectable		 1xotA-3feuA:
21.02
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.
3fs1 HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 210
ILE A 196
SER A 309
SER A 139
ILE A 299
 None
 1.34A 1xotA-3fs1A:
undetectable		 1xotA-3fs1A:
21.89
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) 		7 TYR A 325
HIS A 326
ILE A 502
MET A 503
MET A 523
SER A 534
GLN A 535
 None
D71  A 901 (-4.5A)
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 ( 4.0A)
D71  A 901 (-3.4A)
D71  A 901 (-3.1A)
 0.89A 1xotA-3g4gA:
51.1		 1xotA-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 TYR A 325
HIS A 326
LEU A 485
ILE A 502
MET A 503
SER A 521
GLN A 535
PHE A 538
 None
D71  A 901 (-4.5A)
None
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
None
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.72A 1xotA-3g4gA:
51.1		 1xotA-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
LEU A 485
ILE A 502
MET A 503
SER A 534
GLN A 535
PHE A 538
ILE A 542
 None
D71  A 901 (-4.5A)
None
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 (-3.4A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
None
 0.55A 1xotA-3g4gA:
51.1		 1xotA-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 TYR A 325
MET A 439
LEU A 485
ILE A 502
MET A 503
SER A 521
GLN A 535
PHE A 538
 None
D71  A 901 ( 4.0A)
None
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
None
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.84A 1xotA-3g4gA:
51.1		 1xotA-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 TYR A 325
MET A 439
LEU A 485
ILE A 502
MET A 503
SER A 534
GLN A 535
PHE A 538
 None
D71  A 901 ( 4.0A)
None
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 (-3.4A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.78A 1xotA-3g4gA:
51.1		 1xotA-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.
3hzr TRYPTOPHANYL-TRNA
SYNTHETASE

(Entamoeba
histolytica) 		PF00579
(tRNA-synt_1b) 		5 LEU A  98
ILE A  80
GLN A 105
PHE A 148
ILE A 143
 None
 1.35A 1xotA-3hzrA:
undetectable		 1xotA-3hzrA:
22.37
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
LEU A 809
ILE A 826
GLN A 859
PHE A 862
ILE A 866
 None
 0.71A 1xotA-3ibjA:
32.7		 1xotA-3ibjA:
19.40
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.
3j4s FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		5 LEU A 248
SER A 170
SER A 310
PHE A 309
ILE A 209
 None
 1.12A 1xotA-3j4sA:
undetectable		 1xotA-3j4sA:
22.13
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.
3mzo LIN2634 PROTEIN

(Listeria
innocua) 		PF12917
(HD_2) 		5 MET A 189
LEU A 142
ILE A  40
SER A 177
PHE A 181
 None
 1.35A 1xotA-3mzoA:
4.3		 1xotA-3mzoA:
21.09
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
MET A 347
LEU A 393
ILE A 410
MET A 411
SER A 429
MET A 431
SER A 442
GLN A 443
PHE A 446
ILE A 450
 None
None
ZG2  A 506 (-3.9A)
None
ZG2  A 506 (-4.4A)
None
ARS  A   3 (-4.4A)
ZG2  A 506 (-3.4A)
None
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
None
 0.66A 1xotA-3o57A:
53.5		 1xotA-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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 MET A  46
LEU A  29
SER A  63
GLN A  26
ILE A   7
 None
 1.37A 1xotA-3q9oA:
undetectable		 1xotA-3q9oA:
21.83
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) 		12 TYR A 159
HIS A 160
MET A 273
LEU A 319
ILE A 336
MET A 337
SER A 355
MET A 357
SER A 368
GLN A 369
PHE A 372
ILE A 376
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 355 ( 0.0A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
ILE  A 376 (-0.6A)
 0.74A 1xotA-3sl5A:
50.9		 1xotA-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.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 524
HIS A 525
LEU A 675
ILE A 692
GLN A 726
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
C1L  A   1 (-4.3A)
C1L  A   1 (-4.3A)
C1L  A   1 (-2.9A)
C1L  A   1 (-3.5A)
 0.65A 1xotA-3ui7A:
38.2		 1xotA-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.
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)
 1.13A 1xotA-3ui7A:
38.2		 1xotA-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) 		5 TYR A 367
HIS A 368
ILE A 538
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
None
WYQ  A 701 ( 4.1A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.32A 1xotA-3v94A:
40.0		 1xotA-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) 		5 TYR A 367
MET A 482
ILE A 538
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
WYQ  A 701 (-4.5A)
WYQ  A 701 ( 4.1A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.76A 1xotA-3v94A:
40.0		 1xotA-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.
4arr TOLL RECEPTOR,
VARIABLE LYMPHOCYTE
RECEPTOR B.61
CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A 179
ILE A 185
MET A 212
PHE A 204
ILE A 202
 None
 1.33A 1xotA-4arrA:
undetectable		 1xotA-4arrA:
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.
4bg0 COMPLEMENT
REGULATOR-ACQUIRING
SURFACE PROTEIN 2
(CRASP-2 (CRASP-2)

(Borreliella
burgdorferi) 		no annotation 5 MET A 178
LEU A 207
ILE A 171
SER A 132
PHE A 133
 None
 1.21A 1xotA-4bg0A:
undetectable		 1xotA-4bg0A:
19.80
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.
4cxj KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF00651
(BTB) 		5 TYR A 141
MET A 133
LEU A  81
SER A 166
PHE A 107
 None
 1.34A 1xotA-4cxjA:
undetectable		 1xotA-4cxjA:
17.66
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.
4gxt A CONSERVED
FUNCTIONALLY UNKNOWN
PROTEIN

(Anaerococcus
prevotii) 		PF12710
(HAD) 		5 MET A 313
LEU A 226
SER A 356
SER A  13
ILE A  18
 None
 1.39A 1xotA-4gxtA:
undetectable		 1xotA-4gxtA:
21.75
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 655
HIS A 656
LEU A 809
ILE A 826
GLN A 859
PHE A 862
ILE A 866
 None
 0.50A 1xotA-4htzA:
38.8		 1xotA-4htzA:
27.55
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 655
LEU A 809
ILE A 826
MET A 847
GLN A 859
PHE A 862
ILE A 866
 None
 0.82A 1xotA-4htzA:
38.8		 1xotA-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) 		5 TYR A 668
HIS A 669
MET A 785
GLN A 874
PHE A 877
 None
 0.64A 1xotA-4i15A:
38.6		 1xotA-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
MET A 785
MET A 861
GLN A 874
PHE A 877
 None
 1.00A 1xotA-4i15A:
38.6		 1xotA-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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 615
SER A 513
GLN A 196
PHE A 199
ILE A 212
 None
 1.37A 1xotA-4iigA:
undetectable		 1xotA-4iigA:
20.15
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.
4jkg PRE-MRNA-PROCESSING-
SPLICING FACTOR 8

(Homo sapiens) 		PF12134
(PRP8_domainIV) 		5 LEU B1889
ILE B1777
SER B1929
PHE B1933
ILE B1937
 None
 1.31A 1xotA-4jkgB:
undetectable		 1xotA-4jkgB:
21.24
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.
4ls3 NICKEL (III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDIN GPROTEIN

(Helicobacter
pylori) 		PF01497
(Peripla_BP_2) 		5 LEU A 162
ILE A 155
SER A  83
SER A  59
ILE A  54
 None
None
None
HIS  A 601 ( 4.8A)
None
 1.21A 1xotA-4ls3A:
undetectable		 1xotA-4ls3A:
20.53
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.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 HIS E 154
LEU E  85
ILE E 174
MET E 163
PHE E 113
 None
 1.39A 1xotA-4md8E:
undetectable		 1xotA-4md8E:
21.72
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.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 669
SER A 607
SER A 681
PHE A 680
ILE A 641
 None
None
NAG  A 903 (-2.5A)
None
None
 1.27A 1xotA-4mn8A:
undetectable		 1xotA-4mn8A:
18.42
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.
4mna LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 669
SER A 607
SER A 681
PHE A 680
ILE A 641
 None
NAG  A 902 (-2.9A)
NAG  A 901 (-2.8A)
None
None
 1.28A 1xotA-4mnaA:
undetectable		 1xotA-4mnaA:
20.20
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 LEU A 165
ILE A  64
MET A  67
SER A  43
ILE A 161
 None
 1.38A 1xotA-4mo9A:
undetectable		 1xotA-4mo9A:
23.57
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.
4noi DNA-DIRECTED RNA
POLYMERASE SUBUNIT
ALPHA

(Campylobacter
jejuni) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 LEU A 143
ILE A 111
MET A  74
PHE A 141
ILE A  59
 None
 1.37A 1xotA-4noiA:
undetectable		 1xotA-4noiA:
24.47
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.
4o6z SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
falciparum) 		PF00464
(SHMT) 		5 LEU A 109
ILE A 247
SER A 213
PHE A 206
ILE A 179
 None
 0.86A 1xotA-4o6zA:
undetectable		 1xotA-4o6zA:
23.08
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.
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
 0.91A 1xotA-4q8gA:
undetectable		 1xotA-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.
4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF00155
(Aminotran_1_2) 		5 LEU A 249
ILE A 126
MET A 132
PHE A 199
ILE A 230
 None
 1.39A 1xotA-4w5kA:
undetectable		 1xotA-4w5kA:
22.42
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) 		7 TYR A 405
HIS A 406
ILE A 582
MET A 583
SER A 601
MET A 603
GLN A 615
 None
MG  A 804 ( 4.9A)
None
None
None
None
None
 0.96A 1xotA-4wziA:
52.2		 1xotA-4wziA:
61.39
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) 		10 TYR A 405
HIS A 406
LEU A 565
ILE A 582
MET A 583
SER A 601
SER A 614
GLN A 615
PHE A 618
ILE A 622
 None
MG  A 804 ( 4.9A)
None
None
None
None
None
None
None
None
 0.93A 1xotA-4wziA:
52.2		 1xotA-4wziA:
61.39
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) 		10 TYR A 405
HIS A 406
MET A 519
LEU A 565
ILE A 582
MET A 583
SER A 601
SER A 614
GLN A 615
PHE A 618
 None
MG  A 804 ( 4.9A)
None
None
None
None
None
None
None
None
 0.95A 1xotA-4wziA:
52.2		 1xotA-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.
5af2 VP3

(Rotavirus A) 		PF05213
(Corona_NS2A) 		5 LEU A 738
ILE A 726
SER A 791
PHE A 781
ILE A 777
 None
 0.96A 1xotA-5af2A:
undetectable		 1xotA-5af2A:
16.96
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) 		7 TYR A 222
HIS A 223
MET A 336
SER A 407
GLN A 421
PHE A 424
ILE A 428
 None
4QJ  A 603 ( 4.9A)
4QJ  A 603 ( 3.9A)
GOL  A 607 (-4.1A)
4QJ  A 603 (-3.0A)
4QJ  A 603 (-3.5A)
None
 0.92A 1xotA-5b25A:
44.0		 1xotA-5b25A:
35.63
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) 		7 TYR A 222
HIS A 223
MET A 336
SER A 407
SER A 420
PHE A 424
ILE A 428
 None
4QJ  A 603 ( 4.9A)
4QJ  A 603 ( 3.9A)
GOL  A 607 (-4.1A)
4QJ  A 603 (-4.7A)
4QJ  A 603 (-3.5A)
None
 1.08A 1xotA-5b25A:
44.0		 1xotA-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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 LEU A 169
ILE A 135
SER A  96
PHE A  98
ILE A 106
 None
 1.21A 1xotA-5dmhA:
undetectable		 1xotA-5dmhA:
24.25
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
MET A 785
GLN A 875
PHE A 878
 LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.0A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
 0.38A 1xotA-5h2rA:
39.4		 1xotA-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
MET A 785
MET A 862
GLN A 875
PHE A 878
 LLN  A1003 ( 4.8A)
LLN  A1003 (-4.0A)
LLN  A1003 (-3.5A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
 0.80A 1xotA-5h2rA:
39.4		 1xotA-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.
5i4c TRANSCRIPTIONAL
REGULATORY PROTEIN
RCSB

(Escherichia
coli) 		PF00072
(Response_reg) 		5 LEU A  81
ILE A  71
MET A  59
SER A  38
ILE A   7
 None
 1.23A 1xotA-5i4cA:
undetectable		 1xotA-5i4cA:
19.44
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU B1216
ILE A1429
SER B1155
MET B1152
ILE B1194
 None
 1.37A 1xotA-5ip9B:
undetectable		 1xotA-5ip9B:
16.15
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.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 TYR B 135
MET B  77
ILE B 133
SER B  47
PHE B 129
 None
 1.36A 1xotA-5ldrB:
undetectable		 1xotA-5ldrB:
18.37
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 LEU A 397
ILE A 361
SER A 412
MET A 411
SER A 406
 None
 1.23A 1xotA-5mswA:
undetectable		 1xotA-5mswA:
15.59
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 LEU A 397
SER A 412
MET A 411
SER A 406
PHE A 357
 None
 1.27A 1xotA-5mswA:
undetectable		 1xotA-5mswA:
15.59
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 MET A 221
LEU A 262
ILE A 233
PHE A 187
ILE A 188
 None
 1.29A 1xotA-5nbsA:
undetectable		 1xotA-5nbsA:
12.08
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 12 TYR A 405
HIS A 406
MET A 519
LEU A 565
ILE A 582
MET A 583
SER A 601
MET A 603
SER A 614
GLN A 615
PHE A 618
ILE A 622
 None
None
9VE  A 801 (-3.8A)
9VE  A 801 (-4.7A)
9VE  A 801 (-4.1A)
9VE  A 801 ( 4.0A)
None
9VE  A 801 (-3.6A)
9VE  A 801 (-4.7A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
9VE  A 801 (-4.8A)
 0.92A 1xotA-5ohjA:
52.6		 1xotA-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.
5tcs KINETOCHORE PROTEIN
NDC80

(Saccharomyces
cerevisiae) 		PF03801
(Ndc80_HEC) 		5 MET A 221
LEU A 191
SER A 213
SER A 205
ILE A 187
 None
 1.27A 1xotA-5tcsA:
undetectable		 1xotA-5tcsA:
21.46
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.
5tr1 CHLORIDE CHANNEL
PROTEIN
MONOCLONAL ANTIBODY,
FAB FRAGMENT, LIGHT
CHAIN

(Bos taurus;
Mus musculus) 		PF00654
(Voltage_CLC)
PF07686
(V-set) 		5 TYR L  94
LEU A 370
SER L  26
MET L   4
GLN L  89
 None
 1.20A 1xotA-5tr1L:
undetectable		 1xotA-5tr1L:
11.99
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		5 MET A  74
LEU A 157
MET A 361
SER A 195
ILE A 153
 None
 1.39A 1xotA-5w81A:
undetectable		 1xotA-5w81A:
13.08
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		5 MET A  74
LEU A 157
SER A 195
PHE A 192
ILE A 153
 None
 1.05A 1xotA-5w81A:
undetectable		 1xotA-5w81A:
13.08
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 5 HIS A 204
MET A 273
SER A 355
MET A 357
ILE A 376
 None
AKJ  A 601 ( 3.9A)
None
AKJ  A 601 (-3.4A)
None
 1.08A 1xotA-5wh6A:
52.1		 1xotA-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 11 TYR A 159
HIS A 160
MET A 273
LEU A 319
ILE A 336
MET A 337
SER A 355
MET A 357
GLN A 369
PHE A 372
ILE A 376
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 ( 3.9A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-3.8A)
AKJ  A 601 ( 3.7A)
None
AKJ  A 601 (-3.4A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
None
 0.68A 1xotA-5wh6A:
52.1		 1xotA-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 11 TYR A 159
HIS A 160
MET A 273
LEU A 319
ILE A 336
MET A 337
SER A 355
SER A 368
GLN A 369
PHE A 372
ILE A 376
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 ( 3.9A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-3.8A)
AKJ  A 601 ( 3.7A)
None
AKJ  A 601 (-2.5A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
None
 0.74A 1xotA-5wh6A:
52.1		 1xotA-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.
5xmr SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
vivax) 		no annotation 5 LEU A 109
ILE A 247
SER A 213
PHE A 206
ILE A 179
 None
 0.89A 1xotA-5xmrA:
undetectable		 1xotA-5xmrA:
20.40
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.
5ybp PRHA

(Penicillium
brasilianum) 		no annotation 5 MET A  93
LEU A 231
MET A 256
PHE A 112
ILE A 233
 None
 1.22A 1xotA-5ybpA:
undetectable		 1xotA-5ybpA:
14.91
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.
6at7 PHENYLALANINE
AMMONIA-LYASE

(Sorghum bicolor) 		no annotation 5 MET A 410
LEU A 495
ILE A 677
MET A 686
ILE A 406
 None
 1.39A 1xotA-6at7A:
undetectable		 1xotA-6at7A:
11.45
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.
6eo2 TRANSCRIPTIONAL
REGULATORY PROTEIN
RCSB

(Salmonella
enterica) 		no annotation 5 LEU A  81
ILE A  71
MET A  59
SER A  38
ILE A   7
 None
 1.28A 1xotA-6eo2A:
undetectable		 1xotA-6eo2A:
22.02
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 5 LEU M 160
SER M  62
SER M 240
PHE M 203
ILE M 246
 None
 1.13A 1xotA-6g2jM:
undetectable		 1xotA-6g2jM:
11.31