SIMILAR PATTERNS OF AMINO ACIDS FOR 1XOQ_A_ROFA502

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.
1d5t GUANINE NUCLEOTIDE
DISSOCIATION
INHIBITOR

(Bos taurus) 		PF00996
(GDI) 		5 LEU A 231
TYR A 404
THR A  15
ILE A  18
PHE A 410
 None
 1.42A 1xoqA-1d5tA:
undetectable		 1xoqA-1d5tA:
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.
1fiu TYPE II RESTRICTION
ENZYME NGOMI

(Neisseria
gonorrhoeae) 		PF09015
(NgoMIV_restric) 		5 HIS A  13
ASP A 276
LEU A 246
ILE A  47
SER A  40
 None
 1.43A 1xoqA-1fiuA:
undetectable		 1xoqA-1fiuA:
20.77
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 LEU A 127
PRO A 130
THR A 294
ILE A 296
PHE A 134
 None
 1.45A 1xoqA-1fw8A:
undetectable		 1xoqA-1fw8A:
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.
1g1a DTDP-D-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A 207
PRO A 209
TYR A 334
THR A 330
ILE A 327
 None
 1.28A 1xoqA-1g1aA:
undetectable		 1xoqA-1g1aA:
22.12
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.
1je6 MHC CLASS I
CHAIN-RELATED
PROTEIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 HIS A 156
ASP A  72
LEU A  73
THR A 143
PHE A 110
 None
 1.28A 1xoqA-1je6A:
undetectable		 1xoqA-1je6A:
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.
1kgp RIBONUCLEOTIDE
REDUCTASE PROTEIN
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 ASP A  51
LEU A 188
PRO A 179
ILE A 194
PHE A  70
 None
 1.45A 1xoqA-1kgpA:
undetectable		 1xoqA-1kgpA:
23.65
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.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 TYR B 118
LEU B 111
ILE B  84
SER B  70
PHE B  71
 None
 1.43A 1xoqA-1mioB:
undetectable		 1xoqA-1mioB:
22.15
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) 		5 HIS A 737
ASP A 937
PRO A 941
SER A 990
PHE A 991
 IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 (-3.6A)
 1.24A 1xoqA-1sojA:
42.0		 1xoqA-1sojA:
31.99
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
ASP A 937
PRO A 941
THR A 952
ILE A 955
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
IBM  A2111 (-3.6A)
 0.52A 1xoqA-1sojA:
42.0		 1xoqA-1sojA:
31.99
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.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		5 LEU A 642
THR A 559
ILE A 562
SER A 589
PHE A 591
 None
 1.40A 1xoqA-1uf2A:
undetectable		 1xoqA-1uf2A:
16.36
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.
1um1 KIAA1849 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ASP A  27
LEU A  38
THR A  99
ILE A 103
SER A  56
 None
 1.49A 1xoqA-1um1A:
undetectable		 1xoqA-1um1A:
15.80
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.
1viw ALPHA-AMYLASE-INHIBI
TOR

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 ASP B  83
LEU B  82
ILE B 137
SER B 199
PHE B  66
 None
None
None
NAG  B 509 (-2.4A)
None
 1.46A 1xoqA-1viwB:
undetectable		 1xoqA-1viwB:
19.61
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.
1w3i 2-KETO-3-DEOXY
GLUCONATE ALDOLASE

(Sulfolobus
solfataricus) 		PF00701
(DHDPS) 		5 TYR A 246
LEU A  23
TYR A 255
THR A 249
SER A 200
 None
 1.44A 1xoqA-1w3iA:
undetectable		 1xoqA-1w3iA:
22.05
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.
1wkp FLOWERING LOCUS T
PROTEIN

(Arabidopsis
thaliana) 		PF01161
(PBP) 		5 TYR A 151
LEU A  89
PRO A 136
ILE A 150
PHE A 142
 None
 1.41A 1xoqA-1wkpA:
undetectable		 1xoqA-1wkpA:
19.40
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
ASP A 362
PRO A 366
PHE A 416
 IBM  A 503 (-4.6A)
None
ZN  A 501 (-2.5A)
None
IBM  A 503 (-3.4A)
 0.37A 1xoqA-1zklA:
45.5		 1xoqA-1zklA:
33.60
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.
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
 1.36A 1xoqA-1znpA:
undetectable		 1xoqA-1znpA:
16.62
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A 239
ASP A 324
LEU A  60
ILE A 183
SER A 147
 CO  A1000 (-3.4A)
None
None
None
None
 1.23A 1xoqA-2amxA:
undetectable		 1xoqA-2amxA:
25.80
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.
2evr COG0791: CELL
WALL-ASSOCIATED
HYDROLASES
(INVASION-ASSOCIATED
PROTEINS)

(Nostoc
punctiforme) 		PF00877
(NLPC_P60) 		5 ASP A 164
THR A 104
ILE A 101
SER A 136
PHE A 134
 None
 1.36A 1xoqA-2evrA:
undetectable		 1xoqA-2evrA:
23.88
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.
2h18 ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
8A

(Homo sapiens) 		PF00025
(Arf) 		5 LEU A 128
THR A  24
ILE A  67
MET A  21
SER A  90
 None
 1.27A 1xoqA-2h18A:
undetectable		 1xoqA-2h18A:
24.72
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.
2hbw NLP/P60 PROTEIN

(Trichormus
variabilis) 		PF00877
(NLPC_P60) 		5 ASP A 164
THR A 104
ILE A 101
SER A 136
PHE A 134
 None
 1.34A 1xoqA-2hbwA:
undetectable		 1xoqA-2hbwA:
21.21
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.
2jem ENDO-BETA-1,4-GLUCAN
ASE

(Bacillus
licheniformis) 		PF01670
(Glyco_hydro_12) 		5 LEU A 160
TYR A  89
ILE A 251
MET A  73
PHE A 240
 None
 1.16A 1xoqA-2jemA:
undetectable		 1xoqA-2jemA:
19.72
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.
2oze ORF DELTA'

(Streptococcus
pyogenes) 		PF13614
(AAA_31) 		5 ASP A 156
LEU A  66
ILE A 159
MET A 181
PHE A 283
 None
 1.37A 1xoqA-2ozeA:
undetectable		 1xoqA-2ozeA:
23.66
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
ASP A 530
LEU A 531
PRO A 534
TYR A 541
THR A 545
ILE A 548
MET A 569
SER A 580
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
ZN  A   1 (-2.5A)
None
None
None
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
 0.52A 1xoqA-2qykA:
52.5		 1xoqA-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		10 TYR A 281
HIS A 282
MET A 395
ASP A 440
LEU A 441
PRO A 444
TYR A 451
THR A 455
ILE A 458
PHE A 494
 None
None
None
ZN  A   1 (-2.5A)
None
None
None
None
None
None
 0.60A 1xoqA-2qymA:
43.9		 1xoqA-2qymA:
82.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		5 TYR A 680
HIS A 681
MET A 797
ASP A 835
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
ZN  A   1 (-2.6A)
IBM  A   3 (-3.6A)
 0.39A 1xoqA-2r8qA:
39.4		 1xoqA-2r8qA:
30.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		5 TYR A 680
HIS A 681
MET A 797
ASP A 835
THR A 854
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
ZN  A   1 (-2.6A)
None
 1.29A 1xoqA-2r8qA:
39.4		 1xoqA-2r8qA:
30.27
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.
3a98 DEDICATOR OF
CYTOKINESIS PROTEIN
2

(Homo sapiens) 		PF07653
(SH3_2)
PF16172
(DOCK_N) 		5 ASP A 162
LEU A 163
THR A 149
ILE A 152
MET A 120
 None
 1.50A 1xoqA-3a98A:
undetectable		 1xoqA-3a98A:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 612
HIS A 613
ASP A 764
LEU A 765
PHE A 820
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
None
VDN  A   1 ( 4.7A)
VDN  A   1 (-3.6A)
 0.67A 1xoqA-3b2rA:
31.6		 1xoqA-3b2rA:
31.23
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.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 612
HIS A 613
ASP A 764
LEU A 765
PHE A 820
 None
MG  A 877 (-4.4A)
ZN  A 876 (-2.5A)
WAN  A 901 ( 4.7A)
WAN  A 901 (-3.7A)
 0.65A 1xoqA-3bjcA:
34.3		 1xoqA-3bjcA:
17.74
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.
3cpi RAB GDP-DISSOCIATION
INHIBITOR

(Saccharomyces
cerevisiae) 		PF00996
(GDI) 		5 LEU G 239
TYR G 415
THR G  20
ILE G  23
PHE G 421
 None
 1.46A 1xoqA-3cpiG:
undetectable		 1xoqA-3cpiG:
21.25
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.
3e79 HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37

(Mycoplasma
hyorhinis) 		PF06646
(Mycoplasma_p37) 		5 ASP A 280
LEU A 277
ILE A 304
SER A 307
PHE A 306
 None
 1.38A 1xoqA-3e79A:
undetectable		 1xoqA-3e79A:
22.46
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) 		5 MET A 670
ASP A 726
PRO A 730
SER A 780
PHE A 781
 IBM  A   3 (-4.5A)
ZN  A   1 (-2.6A)
None
None
IBM  A   3 (-3.5A)
 1.12A 1xoqA-3ecnA:
44.9		 1xoqA-3ecnA:
33.42
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) 		8 TYR A 555
HIS A 556
MET A 670
ASP A 726
PRO A 730
ILE A 744
SER A 777
PHE A 781
 None
None
IBM  A   3 (-4.5A)
ZN  A   1 (-2.6A)
None
IBM  A   3 (-4.3A)
None
IBM  A   3 (-3.5A)
 0.41A 1xoqA-3ecnA:
44.9		 1xoqA-3ecnA:
33.42
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.
3fn9 PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 TYR A 316
MET A 347
LEU A 374
TYR A 412
SER A 553
 None
 1.28A 1xoqA-3fn9A:
undetectable		 1xoqA-3fn9A:
20.12
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.
3fs3 NUCLEOSOME ASSEMBLY
PROTEIN 1, PUTATIVE

(Plasmodium
falciparum) 		PF00956
(NAP) 		5 ASP A 121
LEU A 125
ILE A 188
SER A 161
PHE A 152
 None
 1.25A 1xoqA-3fs3A:
undetectable		 1xoqA-3fs3A:
22.42
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 HIS A 326
MET A 439
ASP A 484
LEU A 485
MET A 523
SER A 534
PHE A 538
 D71  A 901 (-4.5A)
D71  A 901 ( 4.0A)
ZN  A 801 (-2.6A)
None
D71  A 901 ( 4.0A)
D71  A 901 (-3.4A)
D71  A 901 (-3.9A)
 0.98A 1xoqA-3g4gA:
53.0		 1xoqA-3g4gA:
81.20
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
MET A 503
PHE A 538
 ZN  A 801 (-3.4A)
D71  A 901 ( 4.0A)
None
D71  A 901 (-3.6A)
D71  A 901 (-3.9A)
 1.21A 1xoqA-3g4gA:
53.0		 1xoqA-3g4gA:
81.20
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)
 1.22A 1xoqA-3g4gA:
53.0		 1xoqA-3g4gA:
81.20
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 MET A 439
ASP A 484
LEU A 485
MET A 503
PHE A 538
 D71  A 901 ( 4.0A)
ZN  A 801 (-2.6A)
None
D71  A 901 (-3.6A)
D71  A 901 (-3.9A)
 1.40A 1xoqA-3g4gA:
53.0		 1xoqA-3g4gA:
81.20
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) 		11 TYR A 325
HIS A 326
MET A 439
ASP A 484
LEU A 485
PRO A 488
TYR A 495
THR A 499
ILE A 502
MET A 523
PHE A 538
 None
D71  A 901 (-4.5A)
D71  A 901 ( 4.0A)
ZN  A 801 (-2.6A)
None
None
None
D71  A 901 (-3.6A)
D71  A 901 (-4.1A)
D71  A 901 ( 4.0A)
D71  A 901 (-3.9A)
 0.67A 1xoqA-3g4gA:
53.0		 1xoqA-3g4gA:
81.20
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.
3gyw NUCLEOSOME ASSEMBLY
PROTEIN 1, PUTATIVE

(Plasmodium
falciparum) 		PF00956
(NAP) 		5 ASP A 121
LEU A 125
ILE A 188
SER A 161
PHE A 152
 None
 1.19A 1xoqA-3gywA:
undetectable		 1xoqA-3gywA:
20.45
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 1xoqA-3hocA:
undetectable		 1xoqA-3hocA:
23.39
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) 		6 TYR A 655
HIS A 656
ASP A 808
LEU A 809
ILE A 826
PHE A 862
 None
None
ZN  A   1 (-2.7A)
None
None
None
 0.95A 1xoqA-3ibjA:
32.5		 1xoqA-3ibjA:
18.88
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 MET X 745
LEU X1032
THR X 990
ILE X 989
PHE X 642
 None
 1.37A 1xoqA-3jb9X:
undetectable		 1xoqA-3jb9X:
12.60
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.
3k4i UNCHARACTERIZED
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF03737
(RraA-like) 		5 ASP A 174
PRO A 134
TYR A 133
THR A 116
SER A  85
 None
 1.19A 1xoqA-3k4iA:
undetectable		 1xoqA-3k4iA:
20.39
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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 ASP B 798
LEU B 799
THR B 807
MET B 499
SER B 456
 None
 1.35A 1xoqA-3k70B:
undetectable		 1xoqA-3k70B:
14.58
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.
3khd PYRUVATE KINASE

(Plasmodium
falciparum) 		PF00224
(PK)
PF02887
(PK_C) 		5 MET A 285
ASP A 111
LEU A 109
THR A 359
MET A 324
 None
 1.41A 1xoqA-3khdA:
undetectable		 1xoqA-3khdA:
22.83
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
MET A 347
ASP A 392
LEU A 393
PRO A 396
TYR A 403
THR A 407
ILE A 410
MET A 431
SER A 442
PHE A 446
 None
None
ZG2  A 506 (-3.9A)
ZN  A   1 (-2.6A)
None
ZG2  A 506 ( 4.5A)
None
ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.4A)
ZG2  A 506 (-3.4A)
None
ZG2  A 506 (-3.6A)
 0.59A 1xoqA-3o57A:
52.2		 1xoqA-3o57A:
82.81
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.
3puc TITIN

(Homo sapiens) 		PF07679
(I-set)
PF08884
(Flagellin_D3) 		5 TYR A  53
ASP A  73
LEU A  94
THR A  41
ILE A  47
 None
 1.42A 1xoqA-3pucA:
undetectable		 1xoqA-3pucA:
13.43
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.
3r2g INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE

(Legionella
pneumophila) 		PF00478
(IMPDH) 		5 ASP A  34
LEU A  39
ILE A 144
SER A  94
PHE A  92
 None
 1.37A 1xoqA-3r2gA:
undetectable		 1xoqA-3r2gA:
21.26
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 MET L 432
TYR L 102
ILE L 353
MET L 243
SER L 250
 None
 1.36A 1xoqA-3rkoL:
undetectable		 1xoqA-3rkoL:
20.00
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) 		11 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
THR A 333
ILE A 336
MET A 357
SER A 368
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
 0.54A 1xoqA-3sl5A:
53.5		 1xoqA-3sl5A:
94.56
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) 		11 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
THR A 333
ILE A 336
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.52A 1xoqA-3sl5A:
53.5		 1xoqA-3sl5A:
94.56
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 HIS A 150
ASP A  79
ILE A 152
SER A 272
PHE A 271
 None
ZN  A 600 (-2.5A)
None
None
None
 1.18A 1xoqA-3t3oA:
undetectable		 1xoqA-3t3oA:
23.28
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
ASP A 674
LEU A 675
ILE A 692
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
ZN  A 772 (-2.4A)
C1L  A   1 (-4.3A)
C1L  A   1 (-4.3A)
C1L  A   1 (-3.5A)
 0.87A 1xoqA-3ui7A:
38.6		 1xoqA-3ui7A:
28.53
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.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 524
HIS A 525
LEU A 635
ILE A 692
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
None
C1L  A   1 (-4.3A)
C1L  A   1 (-3.5A)
 1.44A 1xoqA-3ui7A:
38.6		 1xoqA-3ui7A:
28.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		5 TYR A 367
HIS A 368
ILE A 538
SER A 569
PHE A 573
 WYQ  A 701 (-4.5A)
None
WYQ  A 701 ( 4.1A)
None
WYQ  A 701 (-3.4A)
 0.77A 1xoqA-3v94A:
40.1		 1xoqA-3v94A:
30.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		6 TYR A 367
HIS A 368
MET A 482
ASP A 521
ILE A 538
PHE A 573
 WYQ  A 701 (-4.5A)
None
WYQ  A 701 (-4.5A)
ZN  A 702 (-1.9A)
WYQ  A 701 ( 4.1A)
WYQ  A 701 (-3.4A)
 0.76A 1xoqA-3v94A:
40.1		 1xoqA-3v94A:
30.62
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.
3vf1 11R-LIPOXYGENASE

(Gersemia
fruticosa) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ASP A 459
LEU A 460
ILE A 251
SER A 240
PHE A 471
 None
 1.37A 1xoqA-3vf1A:
undetectable		 1xoqA-3vf1A:
19.57
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 TYR A3601
LEU A3181
TYR A3233
THR A3237
ILE A3238
 None
 1.48A 1xoqA-3vkgA:
undetectable		 1xoqA-3vkgA:
7.48
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.
3wtc PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00106
(adh_short) 		5 LEU A  83
THR A 179
ILE A 137
SER A 176
PHE A 128
 None
 1.39A 1xoqA-3wtcA:
undetectable		 1xoqA-3wtcA:
22.83
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.
4dh2 CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 HIS A  44
ASP A 145
LEU A 146
ILE A 149
SER A 139
 None
 1.37A 1xoqA-4dh2A:
undetectable		 1xoqA-4dh2A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.30A 1xoqA-4hl6A:
undetectable		 1xoqA-4hl6A:
25.30
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 655
HIS A 656
ASP A 808
LEU A 809
ILE A 826
PHE A 862
 None
None
ZN  A1001 (-2.5A)
None
None
None
 0.64A 1xoqA-4htzA:
38.6		 1xoqA-4htzA:
28.53
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
ASP A 822
PHE A 877
 None
None
None
ZN  A1001 (-2.5A)
None
 0.45A 1xoqA-4i15A:
38.8		 1xoqA-4i15A:
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.
4ita SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Synechococcus
sp. PCC 7002) 		PF00171
(Aldedh) 		5 ASP A 372
LEU A 373
ILE A 269
SER A 390
PHE A 402
 EDO  A 510 (-2.9A)
None
None
None
None
 1.30A 1xoqA-4itaA:
undetectable		 1xoqA-4itaA:
20.92
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.
4q0w DNA REPAIR PROTEIN
RAD2

(Saccharomyces
cerevisiae) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 ASP A 815
LEU A 818
THR A 822
ILE A 824
SER A 842
 CA  A1001 (-3.5A)
None
None
None
None
 1.42A 1xoqA-4q0wA:
undetectable		 1xoqA-4q0wA:
22.36
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
 1.03A 1xoqA-4q8gA:
undetectable		 1xoqA-4q8gA:
21.61
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.
4q8h PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		5 MET A 703
LEU A 735
ILE A 695
SER A 773
PHE A 760
 None
 1.04A 1xoqA-4q8hA:
undetectable		 1xoqA-4q8hA:
18.45
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.
4qp0 ENDO-BETA-MANNANASE

(Rhizomucor
miehei) 		PF00150
(Cellulase) 		5 LEU A  29
THR A 166
ILE A  93
SER A  98
PHE A  41
 None
 1.47A 1xoqA-4qp0A:
undetectable		 1xoqA-4qp0A:
21.62
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ASP A  24
LEU A  37
TYR A  11
ILE A 414
SER A  62
 None
 1.20A 1xoqA-4um8A:
undetectable		 1xoqA-4um8A:
18.27
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.
4v23 MATRIX PROTEIN

(Respiratory
syncytial virus) 		PF03393
(Pneumo_matrix) 		5 MET A  84
LEU A  52
THR A  33
ILE A  34
SER A 198
 None
 0.97A 1xoqA-4v23A:
undetectable		 1xoqA-4v23A:
22.06
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 HIS A 410
MET A 519
LEU A 565
MET A 583
PHE A 618
 ZN  A 801 (-3.2A)
None
None
None
None
 1.30A 1xoqA-4wziA:
53.0		 1xoqA-4wziA:
48.52
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
ASP A 564
LEU A 565
PRO A 568
THR A 579
ILE A 582
MET A 603
SER A 614
PHE A 618
 None
MG  A 804 ( 4.9A)
ZN  A 801 (-2.5A)
None
None
None
None
None
None
None
 0.78A 1xoqA-4wziA:
53.0		 1xoqA-4wziA:
48.52
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
ASP A 564
LEU A 565
PRO A 568
TYR A 575
THR A 579
MET A 603
SER A 614
PHE A 618
 None
MG  A 804 ( 4.9A)
ZN  A 801 (-2.5A)
None
None
None
None
None
None
None
 0.66A 1xoqA-4wziA:
53.0		 1xoqA-4wziA:
48.52
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
ASP A 564
LEU A 565
PRO A 568
THR A 579
ILE A 582
SER A 614
PHE A 618
 None
MG  A 804 ( 4.9A)
None
ZN  A 801 (-2.5A)
None
None
None
None
None
None
 0.56A 1xoqA-4wziA:
53.0		 1xoqA-4wziA:
48.52
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
ASP A 564
LEU A 565
PRO A 568
TYR A 575
THR A 579
SER A 614
PHE A 618
 None
MG  A 804 ( 4.9A)
None
ZN  A 801 (-2.5A)
None
None
None
None
None
None
 0.38A 1xoqA-4wziA:
53.0		 1xoqA-4wziA:
48.52
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.
4y9s EPOXIDE HYDROLASE

(Solanum
tuberosum) 		PF00561
(Abhydrolase_1) 		5 HIS A 104
ASP A 265
LEU A 266
THR A 182
PHE A 189
 None
 1.43A 1xoqA-4y9sA:
undetectable		 1xoqA-4y9sA:
20.33
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.
4z0x ANTIBODY HC26AM
HEAVY CHAIN VARIABLE
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		5 HIS B  54
LEU B 126
TYR B 131
THR B  60
ILE B  59
 None
 1.16A 1xoqA-4z0xB:
undetectable		 1xoqA-4z0xB:
16.18
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
MET A 336
ASP A 370
PRO A 374
THR A 385
SER A 420
PHE A 424
 None
4QJ  A 603 ( 4.9A)
4QJ  A 603 ( 3.9A)
ZN  A 601 (-2.5A)
None
None
4QJ  A 603 (-4.7A)
4QJ  A 603 (-3.5A)
 0.44A 1xoqA-5b25A:
44.0		 1xoqA-5b25A:
38.27
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 MET A 206
LEU A 169
ILE A 135
SER A  96
PHE A  98
 None
 1.46A 1xoqA-5dmhA:
undetectable		 1xoqA-5dmhA:
23.05
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.
5dzs SHIKIMATE
DEHYDROGENASE
(NADP(+))

(Clostridioides
difficile) 		PF08501
(Shikimate_dh_N) 		5 HIS A  20
LEU A 264
TYR A 234
ILE A 241
SER A 255
 None
 1.44A 1xoqA-5dzsA:
undetectable		 1xoqA-5dzsA:
22.63
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.
5g3y ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 TYR A 186
ASP A  97
ILE A   4
SER A  30
PHE A  86
 None
None
None
ADP  A1216 ( 4.8A)
ADP  A1216 (-4.8A)
 1.50A 1xoqA-5g3yA:
undetectable		 1xoqA-5g3yA:
19.89
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
ASP A 823
PHE A 878
 LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.0A)
ZN  A1001 (-2.6A)
LLN  A1003 (-3.8A)
 0.35A 1xoqA-5h2rA:
39.3		 1xoqA-5h2rA:
32.68
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 HIS A 148
ASP A 189
LEU A 220
ILE A 127
MET A  36
 None
 1.37A 1xoqA-5h42A:
undetectable		 1xoqA-5h42A:
15.76
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.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 5 MET A 230
LEU A 226
TYR A 266
THR A 256
ILE A 257
 None
 1.01A 1xoqA-5n81A:
undetectable		 1xoqA-5n81A:
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.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ASP A  24
LEU A  37
TYR A  11
ILE A 414
SER A  62
 None
 0.97A 1xoqA-5neuA:
undetectable		 1xoqA-5neuA:
20.50
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 11 TYR A 405
HIS A 406
MET A 519
ASP A 564
LEU A 565
PRO A 568
TYR A 575
THR A 579
ILE A 582
SER A 614
PHE A 618
 None
None
9VE  A 801 (-3.8A)
ZN  A 699 ( 2.6A)
9VE  A 801 (-4.7A)
9VE  A 801 (-3.9A)
9VE  A 801 (-4.6A)
9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
9VE  A 801 (-4.7A)
9VE  A 801 (-3.9A)
 0.25A 1xoqA-5ohjA:
52.6		 1xoqA-5ohjA:
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 9 TYR A 405
LEU A 565
PRO A 568
TYR A 575
THR A 579
ILE A 582
MET A 603
SER A 614
PHE A 618
 None
9VE  A 801 (-4.7A)
9VE  A 801 (-3.9A)
9VE  A 801 (-4.6A)
9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
9VE  A 801 (-3.6A)
9VE  A 801 (-4.7A)
9VE  A 801 (-3.9A)
 0.56A 1xoqA-5ohjA:
52.6		 1xoqA-5ohjA:
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 5 TYR B  74
ASP B 238
PRO B 123
THR B 120
SER B 176
 None
 1.21A 1xoqA-5op0B:
undetectable		 1xoqA-5op0B:
22.53
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.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 LEU A 341
TYR A 294
ILE A 348
SER A 206
PHE A 155
 None
 1.24A 1xoqA-5u09A:
undetectable		 1xoqA-5u09A:
19.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 6 HIS A  83
MET A 195
ASP A 236
LEU A 237
PRO A 240
PHE A 291
 None
None
ZN  A 401 (-2.4A)
None
None
None
 0.63A 1xoqA-5vydA:
40.1		 1xoqA-5vydA:
32.87
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 7 LEU A 319
PRO A 322
TYR A 329
THR A 333
ILE A 336
MET A 357
SER A 368
 AKJ  A 601 ( 4.6A)
AKJ  A 601 (-3.9A)
AKJ  A 601 (-4.8A)
AKJ  A 601 (-4.1A)
AKJ  A 601 (-3.8A)
AKJ  A 601 (-3.4A)
AKJ  A 601 (-2.5A)
 0.75A 1xoqA-5wh6A:
55.1		 1xoqA-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
ASP A 318
LEU A 319
PRO A 322
TYR A 329
THR A 333
ILE A 336
MET A 357
PHE A 372
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 ( 3.9A)
ZN  A 602 (-2.5A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-3.9A)
AKJ  A 601 (-4.8A)
AKJ  A 601 (-4.1A)
AKJ  A 601 (-3.8A)
AKJ  A 601 (-3.4A)
AKJ  A 601 (-4.1A)
 0.46A 1xoqA-5wh6A:
55.1		 1xoqA-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.
5xjh POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 PRO A  99
TYR A  69
THR A 110
ILE A  83
SER A  92
 None
 1.07A 1xoqA-5xjhA:
undetectable		 1xoqA-5xjhA:
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.
5xjh POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 PRO A  99
TYR A  69
THR A 110
ILE A  83
SER A  93
 None
 1.33A 1xoqA-5xjhA:
undetectable		 1xoqA-5xjhA:
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.
6ane POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 PRO A  72
TYR A  42
THR A  83
ILE A  56
SER A  65
 None
 1.05A 1xoqA-6aneA:
undetectable		 1xoqA-6aneA:
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.
6ane POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 PRO A  72
TYR A  42
THR A  83
ILE A  56
SER A  66
 None
 1.33A 1xoqA-6aneA:
undetectable		 1xoqA-6aneA:
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ASP A  98
LEU A  96
TYR A  45
THR A  49
ILE A  55
 None
 1.36A 1xoqA-6f8zA:
undetectable		 1xoqA-6f8zA:
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 LEU A 832
TYR A 997
THR A1001
SER A 695
PHE A 696
 None
 1.11A 1xoqA-6fn1A:
undetectable		 1xoqA-6fn1A:
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.
1cpy SERINE
CARBOXYPEPTIDASE

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		3 ASN A  51
TRP A  49
GLN A  95
 None
 1.09A 1xoqA-1cpyA:
undetectable		 1xoqA-1cpyA:
21.51
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.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		3 ASN A 265
TRP A 261
GLN A 247
 None
 1.36A 1xoqA-1eu8A:
undetectable		 1xoqA-1eu8A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f0p ANTIGEN 85-B

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		3 ASN A 255
TRP A 208
GLN A 241
 None
 1.00A 1xoqA-1f0pA:
undetectable		 1xoqA-1f0pA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h5q NADP-DEPENDENT
MANNITOL
DEHYDROGENASE

(Agaricus
bisporus) 		PF13561
(adh_short_C2) 		3 ASN A 221
TRP A 262
GLN A 157
 None
 0.86A 1xoqA-1h5qA:
undetectable		 1xoqA-1h5qA:
22.06
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.
1ngn METHYL-CPG BINDING
PROTEIN MBD4

(Mus musculus) 		PF00730
(HhH-GPD) 		3 ASN A 525
TRP A 412
GLN A 529
 None
 1.32A 1xoqA-1ngnA:
undetectable		 1xoqA-1ngnA:
19.20
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.
1onk GALACTOSE SPECIFIC
LECTIN I B CHAIN

(Viscum album) 		PF00652
(Ricin_B_lectin) 		3 ASN B 156
TRP B 161
GLN B 169
 None
 1.41A 1xoqA-1onkB:
undetectable		 1xoqA-1onkB:
21.69
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.
1pn4 PEROXISOMAL
HYDRATASE-DEHYDROGEN
ASE-EPIMERASE

(Candida
tropicalis) 		PF01575
(MaoC_dehydratas) 		3 ASN A  51
TRP A   7
GLN A  56
 None
None
HDC  A1277 ( 4.6A)
 0.99A 1xoqA-1pn4A:
undetectable		 1xoqA-1pn4A:
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		3 ASN A 384
TRP A 365
GLN A 386
 None
 1.23A 1xoqA-1qxpA:
undetectable		 1xoqA-1qxpA:
16.85
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.
1wh0 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 19

(Homo sapiens) 		PF04969
(CS) 		3 ASN A  87
TRP A 115
GLN A 111
 None
 1.43A 1xoqA-1wh0A:
undetectable		 1xoqA-1wh0A:
15.80
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) 		3 ASN A 365
TRP A 376
GLN A 413
 IBM  A 503 ( 4.7A)
None
IBM  A 503 (-3.0A)
 0.20A 1xoqA-1zklA:
45.5		 1xoqA-1zklA:
33.60
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 ASN A  21
TRP A  19
GLN A 311
 DQQ  A 801 (-3.5A)
None
None
 1.15A 1xoqA-2aeyA:
undetectable		 1xoqA-2aeyA:
21.05
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.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		3 ASN A 429
TRP A 431
GLN A 304
 None
 1.34A 1xoqA-2bihA:
undetectable		 1xoqA-2bihA:
21.90
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.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		3 ASN A 429
TRP A 431
GLN A 304
 None
 1.36A 1xoqA-2biiA:
undetectable		 1xoqA-2biiA:
21.33
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		3 ASN A 300
TRP A 322
GLN A 274
 None
 1.42A 1xoqA-2cfzA:
undetectable		 1xoqA-2cfzA:
20.45
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.
2cic DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDE HYDROLASE

(Campylobacter
jejuni) 		PF08761
(dUTPase_2) 		3 ASN A  22
TRP A  26
GLN A 183
 DUP  A1968 (-3.1A)
None
None
 1.12A 1xoqA-2cicA:
undetectable		 1xoqA-2cicA:
18.73
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.
2cjq RNA-DIRECTED RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		3 ASN A 414
TRP A 349
GLN A 407
 None
 1.44A 1xoqA-2cjqA:
undetectable		 1xoqA-2cjqA:
18.46
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.
2ls0 ZOOCIN A
ENDOPEPTIDASE

(Streptococcus
equi) 		PF16775
(ZoocinA_TRD) 		3 ASN 1  53
TRP 1 115
GLN 1  37
 None
 1.15A 1xoqA-2ls01:
undetectable		 1xoqA-2ls01:
18.02
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.
2m9a E3 UBIQUITIN-PROTEIN
LIGASE ZFP91

(Homo sapiens) 		PF00096
(zf-C2H2) 		3 ASN A  58
TRP A  59
GLN A  53
 None
 1.08A 1xoqA-2m9aA:
undetectable		 1xoqA-2m9aA:
18.21
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.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		3 ASN A 532
TRP A 531
GLN A 536
 None
 1.07A 1xoqA-2nyfA:
undetectable		 1xoqA-2nyfA:
20.73
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.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		3 ASN A  36
TRP A  14
GLN A 174
 None
 1.29A 1xoqA-2ohhA:
undetectable		 1xoqA-2ohhA:
20.33
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.
2q8q IRON-REGULATED
SURFACE DETERMINANT
E

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		3 ASN A 246
TRP A 249
GLN A 245
 None
 1.14A 1xoqA-2q8qA:
undetectable		 1xoqA-2q8qA:
23.63
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.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 ASN A  22
TRP A  20
GLN A 316
 SUC  A 800 (-3.6A)
None
None
 0.97A 1xoqA-2qquA:
undetectable		 1xoqA-2qquA:
19.03
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) 		3 ASN A 533
TRP A 544
GLN A 581
 NPV  A   3 (-4.4A)
None
NPV  A   3 (-3.1A)
 0.13A 1xoqA-2qykA:
52.5		 1xoqA-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		3 ASN A 838
TRP A 849
GLN A 887
 IBM  A   3 (-4.5A)
None
IBM  A   3 (-3.3A)
 0.36A 1xoqA-2r8qA:
39.4		 1xoqA-2r8qA:
30.27
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.
2yfs LEVANSUCRASE

(Lactobacillus
johnsonii) 		PF02435
(Glyco_hydro_68) 		3 ASN A 305
TRP A 339
GLN A 261
 SUC  A1710 (-3.5A)
SUC  A1709 (-4.2A)
None
 0.82A 1xoqA-2yfsA:
undetectable		 1xoqA-2yfsA:
20.24
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		3 ASN A 311
TRP A 333
GLN A 285
 None
 1.37A 1xoqA-2yheA:
undetectable		 1xoqA-2yheA:
20.64
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.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		3 ASN A 380
TRP A 338
GLN A 375
 None
 1.43A 1xoqA-2z6hA:
undetectable		 1xoqA-2z6hA:
19.79
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.
3bb7 INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		3 ASN A 325
TRP A 324
GLN A 161
 None
 1.44A 1xoqA-3bb7A:
undetectable		 1xoqA-3bb7A:
21.93
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.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		3 ASN A 419
TRP A 383
GLN A 512
 None
 1.13A 1xoqA-3c49A:
undetectable		 1xoqA-3c49A:
21.58
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.
3d00 TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT E

(Syntrophus
aciditrophicus) 		PF02663
(FmdE) 		3 ASN A  73
TRP A  75
GLN A  64
 None
 1.43A 1xoqA-3d00A:
undetectable		 1xoqA-3d00A:
19.03
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.
3d3f YVGN PROTEIN

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		3 ASN A 142
TRP A 189
GLN A 144
 NDP  A   1 (-3.3A)
NDP  A   1 (-3.3A)
None
 1.42A 1xoqA-3d3fA:
undetectable		 1xoqA-3d3fA:
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.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		3 ASN A  98
TRP A  94
GLN A  42
 None
 1.40A 1xoqA-3dp7A:
undetectable		 1xoqA-3dp7A:
22.33
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) 		3 ASN A 729
TRP A 740
GLN A 778
 None
None
IBM  A   3 (-3.4A)
 0.16A 1xoqA-3ecnA:
44.9		 1xoqA-3ecnA:
33.42
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		3 ASN A 598
TRP A 512
GLN A 836
 None
 1.41A 1xoqA-3ecqA:
undetectable		 1xoqA-3ecqA:
12.85
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.
3fmc PUTATIVE
SUCCINYLGLUTAMATE
DESUCCINYLASE /
ASPARTOACYLASE

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		3 ASN A  75
TRP A  99
GLN A  38
 None
 1.08A 1xoqA-3fmcA:
undetectable		 1xoqA-3fmcA:
23.10
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) 		3 ASN A 487
TRP A 498
GLN A 535
 D71  A 901 (-4.5A)
None
D71  A 901 (-3.1A)
 0.37A 1xoqA-3g4gA:
53.0		 1xoqA-3g4gA:
81.20
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.
3h0o BETA-GLUCANASE

(Fibrobacter
succinogenes) 		PF00722
(Glyco_hydro_16) 		3 ASN A 139
TRP A 141
GLN A 161
 TRS  A 404 (-3.3A)
TRS  A 404 (-3.9A)
None
 0.73A 1xoqA-3h0oA:
undetectable		 1xoqA-3h0oA:
19.61
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.
3hdc THIOREDOXIN FAMILY
PROTEIN

(Geobacter
metallireducens) 		PF00578
(AhpC-TSA) 		3 ASN A  99
TRP A  67
GLN A 126
 None
 1.16A 1xoqA-3hdcA:
undetectable		 1xoqA-3hdcA:
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.
3hxk SUGAR HYDROLASE

(Lactococcus
lactis) 		PF00326
(Peptidase_S9) 		3 ASN A  80
TRP A  26
GLN A  59
 None
 1.18A 1xoqA-3hxkA:
undetectable		 1xoqA-3hxkA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		3 ASN A 324
TRP A  49
GLN A  74
 None
None
EDO  A 364 (-4.0A)
 1.37A 1xoqA-3ianA:
undetectable		 1xoqA-3ianA:
22.88
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.
3ira CONSERVED PROTEIN

(Methanosarcina
mazei) 		PF03190
(Thioredox_DsbH) 		3 ASN A  19
TRP A  23
GLN A  15
 None
 1.42A 1xoqA-3iraA:
undetectable		 1xoqA-3iraA:
17.77
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.
3itq PROLYL
4-HYDROXYLASE, ALPHA
SUBUNIT DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13640
(2OG-FeII_Oxy_3) 		3 ASN A 117
TRP A 204
GLN A 122
 None
 1.44A 1xoqA-3itqA:
undetectable		 1xoqA-3itqA:
20.00
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.
3lwu SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Shewanella
frigidimarina) 		PF04952
(AstE_AspA) 		3 ASN A  77
TRP A 101
GLN A  40
 None
 0.99A 1xoqA-3lwuA:
undetectable		 1xoqA-3lwuA:
23.70
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) 		3 ASN A 405
TRP A 416
GLN A 453
 IBM  A   1 (-3.5A)
None
IBM  A   1 (-3.5A)
 0.86A 1xoqA-3n3zA:
41.3		 1xoqA-3n3zA:
30.60
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) 		3 ASN A 395
TRP A 406
GLN A 443
 ZG2  A 506 (-4.3A)
None
ZG2  A 506 (-3.3A)
 0.11A 1xoqA-3o57A:
52.2		 1xoqA-3o57A:
82.81
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA
6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00365
(PFK)
PF00365
(PFK) 		3 ASN A 609
TRP A 653
GLN B 746
 None
 1.31A 1xoqA-3o8oA:
undetectable		 1xoqA-3o8oA:
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.
3oec CARVEOL
DEHYDROGENASE
(MYTHA.01326.C,
A0R518 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF13561
(adh_short_C2) 		3 ASN A 220
TRP A 259
GLN A  36
 None
 1.25A 1xoqA-3oecA:
undetectable		 1xoqA-3oecA:
23.28
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris;
Komagataella
pastoris) 		PF00365
(PFK)
PF00365
(PFK) 		3 ASN A 614
TRP A 658
GLN B 731
 None
 1.40A 1xoqA-3opyA:
undetectable		 1xoqA-3opyA:
16.23
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.
3otd TRNA(HIS)
GUANYLYLTRANSFERASE

(Homo sapiens) 		PF04446
(Thg1)
PF14413
(Thg1C) 		3 ASN A 137
TRP A  23
GLN A 138
 None
 1.08A 1xoqA-3otdA:
undetectable		 1xoqA-3otdA:
22.58
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) 		3 ASN A 321
TRP A 332
GLN A 369
 ASN  A 321 (-0.6A)
TRP  A 332 ( 0.5A)
GLN  A 369 (-0.6A)
 0.25A 1xoqA-3sl5A:
53.5		 1xoqA-3sl5A:
94.56
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.
3sqi KLLA0E03807P

(Kluyveromyces
lactis) 		PF16787
(NDC10_II) 		3 ASN A 272
TRP A 275
GLN A 273
 None
 1.44A 1xoqA-3sqiA:
undetectable		 1xoqA-3sqiA:
21.21
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.
3t79 KLLA0E03807P

(Kluyveromyces
lactis) 		PF16787
(NDC10_II) 		3 ASN A 272
TRP A 275
GLN A 273
 None
 1.44A 1xoqA-3t79A:
undetectable		 1xoqA-3t79A:
20.57
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.
3tpa HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		3 ASN A 475
TRP A 440
GLN A 290
 None
 1.33A 1xoqA-3tpaA:
undetectable		 1xoqA-3tpaA:
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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		3 ASN A 231
TRP A 235
GLN A 245
 HY0  A 401 (-3.3A)
HY0  A 401 (-3.5A)
None
 1.13A 1xoqA-3w0sA:
undetectable		 1xoqA-3w0sA:
22.19
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.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		3 ASN A 167
TRP A 169
GLN A 273
 None
 0.92A 1xoqA-3wx7A:
undetectable		 1xoqA-3wx7A:
21.19
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		3 ASN A  87
TRP A  71
GLN A  90
 None
 1.42A 1xoqA-3zizA:
undetectable		 1xoqA-3zizA:
21.33
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.
3zpx LIPASE

(Ustilago maydis) 		PF03583
(LIP) 		3 ASN A 195
TRP A 192
GLN A 349
 None
 1.18A 1xoqA-3zpxA:
undetectable		 1xoqA-3zpxA:
19.13
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		3 ASN A 492
TRP A 496
GLN A 480
 None
 1.42A 1xoqA-4fgvA:
undetectable		 1xoqA-4fgvA:
15.49
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.
4fme ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens) 		PF00025
(Arf) 		3 ASN C  60
TRP C  62
GLN C  82
 None
 0.96A 1xoqA-4fmeC:
undetectable		 1xoqA-4fmeC:
19.30
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.
4gu3 OUTER CAPSID PROTEIN
SIGMA-1

(Mammalian
orthoreovirus) 		PF01664
(Reo_sigma1) 		3 ASN A 375
TRP A 350
GLN A 455
 None
 1.28A 1xoqA-4gu3A:
undetectable		 1xoqA-4gu3A:
22.87
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.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		3 ASN C 506
TRP C 510
GLN C 494
 None
 1.43A 1xoqA-4hb4C:
undetectable		 1xoqA-4hb4C:
17.15
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) 		3 ASN A 825
TRP A 836
GLN A 874
 None
 0.33A 1xoqA-4i15A:
38.8		 1xoqA-4i15A:
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 ASN A 613
TRP A 540
GLN A 606
 None
 1.42A 1xoqA-4k6mA:
undetectable		 1xoqA-4k6mA:
17.45
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		3 ASN A 169
TRP A  70
GLN A 325
 None
 1.30A 1xoqA-4ktpA:
undetectable		 1xoqA-4ktpA:
19.74
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.
4kyx ADP-RIBOSE
PYROPHOSPHATASE MUTT

(Rickettsia
felis) 		PF00293
(NUDIX) 		3 ASN A 100
TRP A 109
GLN A  99
 None
 1.24A 1xoqA-4kyxA:
undetectable		 1xoqA-4kyxA:
17.95
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.
4lqe MEPB

(Staphylococcus
aureus) 		PF08877
(MepB) 		3 ASN A  27
TRP A  61
GLN A  43
 None
 1.32A 1xoqA-4lqeA:
undetectable		 1xoqA-4lqeA:
17.77
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.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		3 ASN A 171
TRP A 173
GLN A 277
 None
 0.94A 1xoqA-4nz5A:
undetectable		 1xoqA-4nz5A:
22.27
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.
4ofe METHYL-CPG-BINDING
DOMAIN PROTEIN 4

(Homo sapiens) 		no annotation 3 ASN A 551
TRP A 438
GLN A 555
 None
 1.31A 1xoqA-4ofeA:
undetectable		 1xoqA-4ofeA:
23.86
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.
4p1x GAMMA-HEMOLYSIN
COMPONENT C

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		3 ASN B 284
TRP B  25
GLN B  29
 None
 0.94A 1xoqA-4p1xB:
undetectable		 1xoqA-4p1xB:
21.19
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.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		3 ASN A  80
TRP A  83
GLN A 152
 None
 1.30A 1xoqA-4rxlA:
undetectable		 1xoqA-4rxlA:
21.61
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		3 ASN A 116
TRP A 138
GLN A 149
 None
 1.41A 1xoqA-4u0tA:
undetectable		 1xoqA-4u0tA:
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		3 ASN A 522
TRP A 453
GLN A 586
 None
 1.42A 1xoqA-4ufcA:
undetectable		 1xoqA-4ufcA:
17.51
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) 		3 ASN A 567
TRP A 578
GLN A 615
 None
 0.15A 1xoqA-4wziA:
53.0		 1xoqA-4wziA:
48.52
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.
4yjz SCFV H2526

(Homo sapiens) 		PF07686
(V-set) 		3 ASN L  97
TRP L  92
GLN L 262
 None
 1.39A 1xoqA-4yjzL:
undetectable		 1xoqA-4yjzL:
16.94
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.
4zm4 AMINOTRANSFERASE

(Streptomyces
pactum) 		PF00202
(Aminotran_3) 		3 ASN A 193
TRP A 192
GLN A 386
 None
 1.31A 1xoqA-4zm4A:
undetectable		 1xoqA-4zm4A:
21.91
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.
4ztx COBALAMIN-INDEPENDEN
T METHIONINE
SYNTHASE

(Neurospora
crassa) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		3 ASN A 300
TRP A 302
GLN A 580
 None
 1.43A 1xoqA-4ztxA:
undetectable		 1xoqA-4ztxA:
19.76
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.
5a30 MITOCHONDRIAL
PROTEIN

(Gallus gallus) 		PF03828
(PAP_assoc) 		3 ASN A 453
TRP A 471
GLN A 383
 None
 1.30A 1xoqA-5a30A:
undetectable		 1xoqA-5a30A:
21.86
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		3 ASN A 598
TRP A 512
GLN A 836
 None
 1.43A 1xoqA-5a55A:
undetectable		 1xoqA-5a55A:
15.28
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.
5ewt EXODEOXYRIBONUCLEASE
III XTH

(Sulfolobus
islandicus) 		PF03372
(Exo_endo_phos) 		3 ASN A 123
TRP A 171
GLN A 167
 None
 1.34A 1xoqA-5ewtA:
undetectable		 1xoqA-5ewtA:
23.65
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.
5f1q PERIPLASMIC
DIPEPTIDE TRANSPORT
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		3 ASN A  62
TRP A 233
GLN A 102
 None
 1.17A 1xoqA-5f1qA:
undetectable		 1xoqA-5f1qA:
19.64
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.
5gs6 NS1 OF ZIKA VIRUS
FROM 2015 BRAZIL
STRAIN

(Zika virus) 		PF00948
(Flavi_NS1) 		3 ASN A 131
TRP A  50
GLN A  85
 None
 1.21A 1xoqA-5gs6A:
undetectable		 1xoqA-5gs6A:
20.16
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.
5gy3 GLUCANASE

(Klebsiella
pneumoniae) 		PF01270
(Glyco_hydro_8) 		3 ASN A  65
TRP A  27
GLN A 125
 None
 1.23A 1xoqA-5gy3A:
undetectable		 1xoqA-5gy3A:
22.43
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 3 ASN A 826
TRP A 837
GLN A 875
 LLN  A1003 (-4.4A)
None
LLN  A1003 (-3.0A)
 0.31A 1xoqA-5h2rA:
39.3		 1xoqA-5h2rA:
32.68
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.
5hxd PROTEIN MPAA

(Escherichia
coli) 		PF00246
(Peptidase_M14) 		3 ASN A 100
TRP A 106
GLN A 139
 None
 1.43A 1xoqA-5hxdA:
undetectable		 1xoqA-5hxdA:
21.65
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.
5j90 RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12741
(SusD-like) 		3 ASN A 102
TRP A 103
GLN A 490
 None
 1.09A 1xoqA-5j90A:
undetectable		 1xoqA-5j90A:
18.99
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.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 3 ASN B 532
TRP B 531
GLN B 536
 None
 1.14A 1xoqA-5ltmB:
undetectable		 1xoqA-5ltmB:
19.78
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.
5moy BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 ASN A1103
TRP A1014
GLN A1106
 None
 1.29A 1xoqA-5moyA:
undetectable		 1xoqA-5moyA:
20.64
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.
5oec GTGE

(Salmonella
enterica) 		no annotation 3 ASN A  44
TRP A  46
GLN A  31
 None
 1.39A 1xoqA-5oecA:
undetectable		 1xoqA-5oecA:
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 3 ASN A 567
TRP A 578
GLN A 615
 9VE  A 801 (-4.1A)
None
9VE  A 801 (-3.2A)
 0.10A 1xoqA-5ohjA:
52.6		 1xoqA-5ohjA:
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 3 ASN A 324
TRP A 320
GLN A 331
 None
 1.43A 1xoqA-5or4A:
undetectable		 1xoqA-5or4A:
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 ASN A 612
TRP A 539
GLN A 605
 None
 1.42A 1xoqA-5tmhA:
undetectable		 1xoqA-5tmhA:
17.89
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.
5ty0 ELONGATION FACTOR G

(Legionella
pneumophila) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		3 ASN A 129
TRP A 125
GLN A 127
 None
 1.37A 1xoqA-5ty0A:
undetectable		 1xoqA-5ty0A:
19.50
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 3 ASN A 304
TRP A 302
GLN A 388
 None
 1.44A 1xoqA-5w21A:
undetectable		 1xoqA-5w21A:
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 3 ASN A 321
TRP A 332
GLN A 369
 AKJ  A 601 (-4.3A)
None
AKJ  A 601 (-3.0A)
 0.04A 1xoqA-5wh6A:
55.1		 1xoqA-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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 3 ASN A 509
TRP A 511
GLN A 508
 None
 1.42A 1xoqA-5xilA:
undetectable		 1xoqA-5xilA:
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.
5yhq CAPSID PROTEIN VP1

(Enterovirus A) 		no annotation 3 ASN A 223
TRP A 198
GLN A 219
 None
 1.42A 1xoqA-5yhqA:
undetectable		 1xoqA-5yhqA:
21.93
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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 3 ASN A1755
TRP A1754
GLN A1748
 None
 1.35A 1xoqA-6b3rA:
undetectable		 1xoqA-6b3rA:
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.
6bbp CYTOHESIN-3,ADP-RIBO
SYLATION FACTOR 6

(Homo sapiens;
Mus musculus) 		no annotation 3 ASN A 458
TRP A 460
GLN A 480
 None
 0.78A 1xoqA-6bbpA:
undetectable		 1xoqA-6bbpA:
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.
6cfz ASK1
DAD4
HSK3

(Chaetomium
thermophilum;
Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation
no annotation 		3 ASN E  43
TRP A  62
GLN G  55
 None
 1.09A 1xoqA-6cfzE:
undetectable		 1xoqA-6cfzE:
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.
6f36 MITOCHONDRIAL ATP
SYNTHASE SUBUNIT 6
MITOCHONDRIAL ATP
SYNTHASE SUBUNIT
ASA6

(Polytomella sp.
Pringsheim
198.80;
Polytomella sp.
Pringsheim
198.80) 		no annotation
no annotation 		3 ASN M 171
TRP N  85
GLN N  93
 None
 1.24A 1xoqA-6f36M:
undetectable		 1xoqA-6f36M:
undetectable