SIMILAR PATTERNS OF AMINO ACIDS FOR 1JR1_B_MOAB1333

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I

(Homo sapiens) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP A 274
SER A 276
ASN A 303
ARG A 322
GLY A 326
 None
None
CPR  A 631 ( 4.5A)
CPR  A 631 (-4.0A)
None
 0.34A 1jr1B-1jcnA:
50.3		 1jr1B-1jcnA:
83.46
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		4 SER A 971
GLY A1026
THR A 987
GLY A 984
 None
 0.81A 1jr1B-1k32A:
undetectable		 1jr1B-1k32A:
19.05
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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		5 ASP A 261
SER A 263
ASN A 291
GLY A 314
GLY A 409
 TAD  A 901 (-2.3A)
TAD  A 901 (-2.7A)
IMP  A 801 ( 4.6A)
TAD  A 901 (-3.9A)
IMP  A 801 ( 3.2A)
 0.37A 1jr1B-1lrtA:
45.9		 1jr1B-1lrtA:
26.44
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.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 ASN A 498
ARG A 481
GLY A 494
THR A 492
 None
 0.78A 1jr1B-1lzxA:
undetectable		 1jr1B-1lzxA:
21.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP A 261
SER A 263
ASN A 291
GLY A 314
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.1A)
XMP  A 602 ( 3.1A)
 0.53A 1jr1B-1mewA:
47.4		 1jr1B-1mewA:
32.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q1u FIBROBLAST GROWTH
FACTOR HOMOLOGOUS
FACTOR 1

(Homo sapiens) 		PF00167
(FGF) 		4 SER A  39
ASN A  38
THR A  34
GLN A  24
 None
 0.88A 1jr1B-1q1uA:
undetectable		 1jr1B-1q1uA:
15.38
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.
1vkm CONSERVED
HYPOTHETICAL PROTEIN
TM1464

(Thermotoga
maritima) 		PF04227
(Indigoidine_A) 		4 ASP A 126
SER A 128
GLY A  79
THR A  96
 MN  A 400 (-2.6A)
UNL  A 600 (-2.6A)
None
UNL  A 600 (-4.0A)
 0.78A 1jr1B-1vkmA:
undetectable		 1jr1B-1vkmA:
19.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vrd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Thermotoga
maritima) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 ASP A 244
ASN A 273
GLY A 296
THR A 303
 None
 0.59A 1jr1B-1vrdA:
46.4		 1jr1B-1vrdA:
39.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x2w COAGULATION FACTOR
IX/X-BINDING PROTEIN
A CHAIN

(Protobothrops
flavoviridis) 		PF00059
(Lectin_C) 		4 ASN A 116
GLY A 104
GLY A 120
GLN A 121
 None
 0.79A 1jr1B-1x2wA:
undetectable		 1jr1B-1x2wA:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASP A 458
GLY A 254
GLY A 530
GLN A 528
 None
 0.87A 1jr1B-1xkhA:
undetectable		 1jr1B-1xkhA:
22.66
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.
1xkw FE(III)-PYOCHELIN
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASN A 142
GLY A 391
THR A 434
GLN A 464
 None
 0.79A 1jr1B-1xkwA:
undetectable		 1jr1B-1xkwA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xvx YFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		4 ASN A  63
ARG A 104
GLY A 142
GLY A  38
 None
FE  A 313 ( 4.0A)
None
ZN  A 314 ( 4.3A)
 0.87A 1jr1B-1xvxA:
undetectable		 1jr1B-1xvxA:
21.83
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.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		4 ASN A  60
ARG A 101
GLY A 139
GLY A  35
 None
 0.88A 1jr1B-1xvyA:
undetectable		 1jr1B-1xvyA:
22.51
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.
1yhu GIANT HEMOGLOBINS B
CHAIN
HEMOGLOBIN B2 CHAIN

(Riftia
pachyptila) 		PF00042
(Globin) 		4 ASP B  73
ARG D  28
GLY D  17
GLY B  21
 None
 0.75A 1jr1B-1yhuB:
undetectable		 1jr1B-1yhuB:
15.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP A 253
ASN A 282
GLY A 305
THR A 312
GLY A 394
 IMP  A 500 ( 4.7A)
IMP  A 500 ( 4.5A)
None
None
IMP  A 500 (-3.0A)
 0.53A 1jr1B-1zfjA:
52.0		 1jr1B-1zfjA:
37.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima) 		PF02065
(Melibiase) 		4 ASP A 387
THR A  88
GLY A 369
GLN A  63
 GOL  A 557 ( 2.9A)
EDO  A 555 ( 4.2A)
None
None
 0.80A 1jr1B-1zy9A:
5.2		 1jr1B-1zy9A:
21.03
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.
2aqf TRANSCRIPTIONAL
ADAPTOR 2, ADA2
ALPHA

(Mus musculus) 		PF04433
(SWIRM) 		4 ASN A  13
GLY A  16
THR A  20
GLY A  39
 None
 0.80A 1jr1B-2aqfA:
undetectable		 1jr1B-2aqfA:
13.30
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.
2ast S-PHASE
KINASE-ASSOCIATED
PROTEIN 1A

(Homo sapiens) 		PF01466
(Skp1)
PF03931
(Skp1_POZ) 		4 ASP A1111
ASN A1108
THR A1119
GLY A1114
 None
 0.84A 1jr1B-2astA:
undetectable		 1jr1B-2astA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 ASN A 158
GLY A 181
THR A 188
GLY A 290
 5GP  A1340 ( 4.0A)
K  A1339 (-4.8A)
5GP  A1340 ( 4.7A)
5GP  A1340 (-3.1A)
 0.84A 1jr1B-2bwgA:
39.0		 1jr1B-2bwgA:
23.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cas CANINE PARVOVIRUS
EMPTY CAPSID (STRAIN
D) VIRAL PROTEIN 2

(Carnivore
protoparvovirus
1) 		PF00740
(Parvo_coat) 		4 GLY A 264
THR A 263
GLY A 531
GLN A 143
 None
 0.84A 1jr1B-2casA:
undetectable		 1jr1B-2casA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP A 247
ASN A 275
GLY A 296
THR A 303
GLY A 385
 None
XMP  A1001 ( 4.4A)
None
XMP  A1001 (-3.7A)
XMP  A1001 (-3.1A)
 0.43A 1jr1B-2cu0A:
51.0		 1jr1B-2cu0A:
33.59
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.
2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES

(Escherichia
coli) 		PF07995
(GSDH) 		4 ASP A  67
GLY A 145
GLY A 198
GLN A 197
 None
None
EDO  A3006 ( 4.5A)
EDO  A3006 ( 4.6A)
 0.80A 1jr1B-2g8sA:
undetectable		 1jr1B-2g8sA:
23.37
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.
2gko SUBTILISIN
MICROBIAL SERINE
PROTEINASES

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 ASN A  47
GLY A  77
THR A 236
GLY A  88
 None
 0.68A 1jr1B-2gkoA:
undetectable		 1jr1B-2gkoA:
21.76
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.
2hpa PROTEIN (ACID
PHOSPHATASE)

(Homo sapiens) 		PF00328
(His_Phos_2) 		4 ASP A1179
GLY A1042
THR A1039
GLY A1036
 None
 0.80A 1jr1B-2hpaA:
undetectable		 1jr1B-2hpaA:
20.94
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ASN A 473
GLY A 446
THR A 398
GLY A 547
 None
TPP  A3001 (-3.4A)
TPP  A3001 (-3.7A)
None
 0.77A 1jr1B-2q27A:
undetectable		 1jr1B-2q27A:
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.
2yt2 FIBROBLAST GROWTH
FACTOR RECEPTOR
SUBSTRATE 3 AND ALK
TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF02174
(IRS) 		4 ASN A  25
GLY A 134
THR A  82
GLY A  85
 None
 0.82A 1jr1B-2yt2A:
undetectable		 1jr1B-2yt2A:
13.87
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		4 ASP A  58
ASN A 128
GLY A 217
GLY A  25
 GD3  A 502 (-3.1A)
None
None
None
 0.80A 1jr1B-2yzwA:
undetectable		 1jr1B-2yzwA:
22.16
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.
2z8c INSULIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ASN A1137
ARG A1136
GLY A1152
THR A1154
 None
 0.80A 1jr1B-2z8cA:
undetectable		 1jr1B-2z8cA:
21.56
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.
2zpa UNCHARACTERIZED
PROTEIN YPFI

(Escherichia
coli) 		PF05127
(Helicase_RecD)
PF08351
(DUF1726)
PF13718
(GNAT_acetyltr_2)
PF17176
(tRNA_bind_3) 		4 SER A 374
GLY A 297
GLY A 293
GLN A 289
 None
 0.86A 1jr1B-2zpaA:
undetectable		 1jr1B-2zpaA:
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		4 ASN A  47
GLY A  77
THR A 237
GLY A  89
 None
 0.69A 1jr1B-3d43A:
undetectable		 1jr1B-3d43A:
20.62
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		4 ASP B  83
GLY A 231
GLY A 369
GLN A 374
 None
 0.84A 1jr1B-3eqqB:
undetectable		 1jr1B-3eqqB:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3icv LIPASE B

(Moesziomyces
antarcticus) 		no annotation 4 ASP A 221
GLY A 141
GLY A 171
GLN A 191
 None
 0.84A 1jr1B-3icvA:
undetectable		 1jr1B-3icvA:
20.23
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		4 ASN A 103
GLY A 151
GLY A 125
GLN A 124
 None
 0.83A 1jr1B-3ipcA:
undetectable		 1jr1B-3ipcA:
24.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lpd ACIDIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE APRV2

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 ASN A  53
GLY A 111
THR A 257
GLY A 122
 None
None
None
CA  A   1 ( 4.3A)
 0.70A 1jr1B-3lpdA:
undetectable		 1jr1B-3lpdA:
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		5 ASP A 109
ARG A 105
GLY A 294
THR A 293
GLY A  12
 None
FAD  A 501 (-2.6A)
FAD  A 501 (-3.5A)
None
FAD  A 501 (-3.2A)
 1.30A 1jr1B-3nixA:
undetectable		 1jr1B-3nixA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 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) 		PF00365
(PFK) 		4 ASP A 356
GLY A 492
THR B 377
GLY A 215
 F6P  A 988 (-2.8A)
None
None
F6P  A 988 ( 4.8A)
 0.87A 1jr1B-3o8oA:
undetectable		 1jr1B-3o8oA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r6h ENOYL-COA HYDRATASE,
ECHA3

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		4 ASP A  20
ASN A  54
GLY A 102
GLY A  61
 None
 0.82A 1jr1B-3r6hA:
undetectable		 1jr1B-3r6hA:
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.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		4 ASP A 104
GLY A 273
THR A 191
GLY A 145
 NAD  A 358 (-2.7A)
None
NAD  A 358 (-3.0A)
None
 0.68A 1jr1B-3rf7A:
undetectable		 1jr1B-3rf7A:
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.
3slt SERINE PROTEASE ESPP

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 GLY A1104
THR A1085
GLY A1066
GLN A1064
 None
 0.72A 1jr1B-3sltA:
undetectable		 1jr1B-3sltA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 ASN A  53
GLY A 111
THR A 257
GLY A 122
 None
None
None
CA  A 353 ( 4.3A)
 0.70A 1jr1B-3ti7A:
undetectable		 1jr1B-3ti7A:
20.38
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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		4 SER A 251
ASN A 252
GLY A 158
GLY A 291
 TAU  A 501 (-2.6A)
None
TAU  A 501 ( 4.3A)
None
 0.86A 1jr1B-3v39A:
undetectable		 1jr1B-3v39A:
22.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP B 288
ASN B 317
ARG B 336
GLY B 340
GLY B 427
 MOA  B1526 (-3.3A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.2A)
 1.06A 1jr1B-4af0B:
57.3		 1jr1B-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP B 288
ASN B 317
ARG B 336
GLY B 342
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
IMP  B1527 (-3.3A)
IMP  B1527 ( 3.3A)
 1.10A 1jr1B-4af0B:
57.3		 1jr1B-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		7 ASP B 288
SER B 290
ASN B 317
ARG B 336
GLY B 340
GLY B 429
GLN B 470
 MOA  B1526 (-3.3A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 ( 3.3A)
MOA  B1526 ( 3.7A)
 0.27A 1jr1B-4af0B:
57.3		 1jr1B-4af0B:
56.79
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.
4fgw GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(+)] 1

(Saccharomyces
cerevisiae) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 ASP A 301
GLY A 340
THR A 343
GLY A 153
 None
 0.86A 1jr1B-4fgwA:
undetectable		 1jr1B-4fgwA:
23.75
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.
4fn7 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		4 ASP A  20
ASN A  54
GLY A 102
GLY A  61
 None
 0.80A 1jr1B-4fn7A:
undetectable		 1jr1B-4fn7A:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 ASN A 279
GLY A 302
THR A 309
GLY A 391
 MOA  A 702 (-3.5A)
MOA  A 702 ( 3.9A)
MOA  A 702 (-3.4A)
IMP  A 701 (-3.2A)
 0.39A 1jr1B-4fxsA:
53.3		 1jr1B-4fxsA:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 SER A 252
ASN A 279
GLY A 302
GLY A 391
 MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.2A)
 0.63A 1jr1B-4fxsA:
53.3		 1jr1B-4fxsA:
38.78
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.
4huc PROBABLE CONSERVED
LIPOPROTEIN LPPS

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		4 ASN A 356
GLY A 281
THR A 287
GLY A 332
 None
 0.75A 1jr1B-4hucA:
undetectable		 1jr1B-4hucA:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		4 ASP A 250
ASN A 279
GLY A 302
THR A 309
 None
IMP  A 501 ( 4.4A)
None
None
 0.60A 1jr1B-4ix2A:
48.7		 1jr1B-4ix2A:
32.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		4 ASP A 250
SER A 252
ASN A 279
GLY A 302
 None
None
IMP  A 501 ( 4.4A)
None
 0.87A 1jr1B-4ix2A:
48.7		 1jr1B-4ix2A:
32.36
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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 SER A 136
ASN A 161
GLY A 111
GLY A  91
 None
 0.80A 1jr1B-4j0mA:
undetectable		 1jr1B-4j0mA:
20.81
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.
4jmn PROBABLE
L,D-TRANSPEPTIDASE
LDTA

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		4 ASN A 228
GLY A 153
THR A 159
GLY A 204
 None
 0.87A 1jr1B-4jmnA:
undetectable		 1jr1B-4jmnA:
18.06
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.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE

(Helicobacter
pylori) 		no annotation 4 ASN H 145
ARG H 357
GLY H  99
THR H 101
 None
 0.87A 1jr1B-4l0oH:
undetectable		 1jr1B-4l0oH:
23.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mz1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Campylobacter
jejuni) 		PF00478
(IMPDH) 		4 ASN A 273
GLY A 296
THR A 303
GLY A 385
 IMP  A 500 ( 4.1A)
None
2F1  A 501 (-4.1A)
IMP  A 500 ( 3.3A)
 0.30A 1jr1B-4mz1A:
53.6		 1jr1B-4mz1A:
37.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mz1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Campylobacter
jejuni) 		PF00478
(IMPDH) 		4 ASP A 244
ASN A 273
GLY A 296
THR A 303
 None
IMP  A 500 ( 4.1A)
None
2F1  A 501 (-4.1A)
 0.82A 1jr1B-4mz1A:
53.6		 1jr1B-4mz1A:
37.02
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.
4nzj PUTATIVE
ALPHA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF05345
(He_PIG)
PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2) 		4 ASP A 238
ARG A 270
GLY A  86
GLY A 201
 None
 0.84A 1jr1B-4nzjA:
5.3		 1jr1B-4nzjA:
23.56
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.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		4 ASP A 243
ARG A 304
GLY A 279
GLY A 236
 None
SO4  A 411 (-2.6A)
None
None
 0.84A 1jr1B-4o6mA:
undetectable		 1jr1B-4o6mA:
22.20
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.
4o9k ARABINOSE
5-PHOSPHATE
ISOMERASE

(Methylococcus
capsulatus) 		PF00571
(CBS) 		4 GLY A 313
THR A 250
GLY A 253
GLN A 252
 None
 0.71A 1jr1B-4o9kA:
undetectable		 1jr1B-4o9kA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ogz PUTATIVE
ALPHA-GALACTOSIDASE/
MELIBIASE

(Bacteroides
fragilis) 		PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		4 ASP A 238
ARG A 270
GLY A  86
GLY A 201
 PGE  A 503 (-3.7A)
PGE  A 503 (-3.1A)
None
None
 0.76A 1jr1B-4ogzA:
5.8		 1jr1B-4ogzA:
20.47
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.
4ogz PUTATIVE
ALPHA-GALACTOSIDASE/
MELIBIASE

(Bacteroides
fragilis) 		PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		4 ASP A 342
ASN A 128
GLY A 134
GLY A 315
 None
 0.87A 1jr1B-4ogzA:
5.8		 1jr1B-4ogzA:
20.47
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.
4qtf L,D-TRANSPEPTIDASE
LDTB

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		4 ASN A 356
GLY A 281
THR A 287
GLY A 332
 None
None
None
3V5  A 502 (-3.3A)
 0.75A 1jr1B-4qtfA:
undetectable		 1jr1B-4qtfA:
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.
4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE

(Psychrobacter
sp. B6) 		PF00155
(Aminotran_1_2) 		4 SER A 241
ASN A 242
GLY A 102
GLY A 110
 None
None
PMP  A 409 (-3.6A)
None
 0.85A 1jr1B-4rkcA:
undetectable		 1jr1B-4rkcA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tll RECEPTOR SUBUNIT
GLUN2B

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 SER B  71
GLY B 124
THR B  98
GLY B  38
 None
 0.74A 1jr1B-4tllB:
undetectable		 1jr1B-4tllB:
20.69
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.
4v36 LYSYL-TRNA-DEPENDENT
L-YSYL-PHOSPHATIDYLG
YCEROL SYNTHASE

(Bacillus
licheniformis) 		PF09924
(DUF2156) 		4 ARG A 732
GLY A 823
GLY A 580
GLN A 611
 None
TRS  A1852 (-4.1A)
None
None
 0.79A 1jr1B-4v36A:
undetectable		 1jr1B-4v36A:
20.75
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.
4xq6 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Mycobacterium
tuberculosis) 		PF01180
(DHO_dh) 		4 SER A 179
GLY A 145
THR A  90
GLY A 118
 FMN  A 401 (-3.6A)
None
FMN  A 401 (-4.0A)
CL  A 402 ( 3.8A)
 0.83A 1jr1B-4xq6A:
18.4		 1jr1B-4xq6A:
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.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		4 ASN A 236
GLY A 161
THR A 167
GLY A 212
 PO4  A 501 (-3.5A)
None
None
None
 0.87A 1jr1B-4xvoA:
undetectable		 1jr1B-4xvoA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xwu INOSINE-5'-MONOPHOSP
HATE
DEHYDROGENASE,INOSIN
E-5'-MONOPHOSPHATE
DEHYDROGENASE

(Eremothecium
gossypii) 		PF00478
(IMPDH) 		4 ASP A 277
SER A 279
ASN A 306
ARG A 325
 None
 0.24A 1jr1B-4xwuA:
47.4		 1jr1B-4xwuA:
52.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zfq L,D-TRANSPEPTIDASE 5

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		4 ASN A 362
GLY A 291
THR A 300
GLY A 338
 None
None
None
DWZ  A 503 (-2.8A)
 0.80A 1jr1B-4zfqA:
undetectable		 1jr1B-4zfqA:
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.
5a1k ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		4 ASP A 349
GLY A  57
THR A  59
GLY A 335
 None
 0.85A 1jr1B-5a1kA:
undetectable		 1jr1B-5a1kA:
21.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ahm INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH) 		4 ASN A 276
GLY A 299
THR A 306
GLY A 388
 IMP  A 501 ( 4.3A)
None
IMP  A 501 ( 4.9A)
IMP  A 501 (-3.1A)
 0.30A 1jr1B-5ahmA:
52.8		 1jr1B-5ahmA:
34.42
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.
5c0n FAB CA33 HEAVY CHAIN
FAB CA33 LIGHT CHAIN

(Oryctolagus
cuniculus) 		no annotation 4 ASP L 170
GLY L 106
GLY H  41
GLN H  38
 None
 0.78A 1jr1B-5c0nL:
undetectable		 1jr1B-5c0nL:
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.
5dxf TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		4 ASP A 205
ASN A  65
THR A 439
GLY A 436
 None
 0.71A 1jr1B-5dxfA:
undetectable		 1jr1B-5dxfA:
21.66
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.
5e31 PENICILLIN BINDING
PROTEIN 2 PRIME

(Enterococcus
faecium) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		4 SER A 522
ASN A 523
GLY A 541
THR A 536
 None
 0.88A 1jr1B-5e31A:
undetectable		 1jr1B-5e31A:
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.
5fsb TECTONIN 2

(Laccaria
bicolor) 		no annotation 4 ASP A 125
SER A 167
GLY A 129
GLY A  52
 MG  A 299 ( 3.9A)
None
None
None
 0.85A 1jr1B-5fsbA:
undetectable		 1jr1B-5fsbA:
19.77
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.
5fsb TECTONIN 2

(Laccaria
bicolor) 		no annotation 4 ASP A 203
SER A  14
GLY A 207
GLY A 127
 MG  A 299 ( 3.9A)
None
None
None
 0.83A 1jr1B-5fsbA:
undetectable		 1jr1B-5fsbA:
19.77
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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		4 GLY A 604
THR A 533
GLY A 608
GLN A 607
 None
 0.70A 1jr1B-5fwjA:
undetectable		 1jr1B-5fwjA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j47 LARGE T ANTIGEN

(Human
polyomavirus 2) 		PF06431
(Polyoma_lg_T_C) 		4 ARG A 555
GLY A 432
THR A 435
GLN A 571
 6JJ  A 703 (-3.3A)
6JJ  A 703 ( 4.1A)
6JJ  A 703 (-3.7A)
None
 0.79A 1jr1B-5j47A:
undetectable		 1jr1B-5j47A:
20.23
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.
5k8c 3-DEOXY-ALPHA-D-MANN
O-OCTULOSONATE
8-OXIDASE

(Shewanella
oneidensis) 		PF00465
(Fe-ADH) 		4 ASP A 104
GLY A 273
THR A 191
GLY A 145
 NAD  A 401 (-2.8A)
NAD  A 401 ( 4.8A)
NAD  A 401 (-2.9A)
None
 0.66A 1jr1B-5k8cA:
undetectable		 1jr1B-5k8cA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lpg PROBABLE 8-OXO-DGTP
DIPHOSPHATASE NUDT15

(Homo sapiens) 		PF00293
(NUDIX) 		4 ASP A 152
GLY A 158
GLY A 145
GLN A 144
 None
 0.79A 1jr1B-5lpgA:
undetectable		 1jr1B-5lpgA:
15.55
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.
5mrr LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 4 GLY A 153
THR A 150
GLY A 157
GLN A 156
 None
 0.84A 1jr1B-5mrrA:
undetectable		 1jr1B-5mrrA:
11.28
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.
5nst HEAVY CHAIN OF
ANTIBODY MGD21
LIGHT CHAIN OF
ANTIBODY MGD21

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF13895
(Ig_2) 		4 ASP A 165
GLY A 101
GLY B  43
GLN B  40
 None
None
None
GOL  A 301 ( 4.3A)
 0.76A 1jr1B-5nstA:
undetectable		 1jr1B-5nstA:
17.64
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF01058
(Oxidored_q6) 		4 GLY E 217
THR E 220
GLY E 249
GLN E 248
 SF4  E 304 ( 3.8A)
SF4  E 303 (-4.4A)
None
None
 0.87A 1jr1B-5odrE:
undetectable		 1jr1B-5odrE:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ou3 INOSINE-5'-MONOPHOSP
HATE
DEHYDROGENASE,INOSIN
E-5'-MONOPHOSPHATE
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		no annotation 4 ASN A 173
GLY A 196
THR A 203
GLY A 285
 AUN  A 401 ( 3.1A)
None
None
AUN  A 401 ( 3.2A)
 0.46A 1jr1B-5ou3A:
48.4		 1jr1B-5ou3A:
43.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tc3 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Eremothecium
gossypii) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP A 277
ASN A 306
ARG A 325
GLY A 331
GLY A 418
 None
5GP  A 600 (-3.2A)
5GP  A 600 (-3.1A)
5GP  A 600 (-3.3A)
5GP  A 600 (-3.1A)
 0.95A 1jr1B-5tc3A:
58.1		 1jr1B-5tc3A:
62.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tc3 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Eremothecium
gossypii) 		PF00478
(IMPDH)
PF00571
(CBS) 		7 ASP A 277
SER A 279
ASN A 306
ARG A 325
GLY A 329
THR A 336
GLN A 448
 None
None
5GP  A 600 (-3.2A)
5GP  A 600 (-3.1A)
5GP  A 600 ( 3.2A)
5GP  A 600 (-2.6A)
None
 0.35A 1jr1B-5tc3A:
58.1		 1jr1B-5tc3A:
62.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tc3 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Eremothecium
gossypii) 		PF00478
(IMPDH)
PF00571
(CBS) 		7 ASP A 277
SER A 279
ASN A 306
ARG A 325
GLY A 329
THR A 336
GLY A 418
 None
None
5GP  A 600 (-3.2A)
5GP  A 600 (-3.1A)
5GP  A 600 ( 3.2A)
5GP  A 600 (-2.6A)
5GP  A 600 (-3.1A)
 0.57A 1jr1B-5tc3A:
58.1		 1jr1B-5tc3A:
62.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5upy INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Listeria
monocytogenes) 		PF00478
(IMPDH) 		4 ASN A 280
GLY A 303
THR A 310
GLY A 392
 IMP  A 500 ( 4.3A)
None
Q21  A 501 (-4.3A)
IMP  A 500 ( 3.3A)
 0.27A 1jr1B-5upyA:
49.9		 1jr1B-5upyA:
30.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uuw INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH) 		4 ASN A 280
GLY A 303
THR A 310
GLY A 392
 IMP  A 501 (-4.1A)
K  A 507 (-4.8A)
8N1  A 502 (-3.9A)
IMP  A 501 ( 3.2A)
 0.29A 1jr1B-5uuwA:
50.5		 1jr1B-5uuwA:
31.72
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.
5uwv L,D-TRANSPEPTIDASE 2

(Mycobacteroides
abscessus) 		no annotation 4 ASN B 353
GLY B 278
THR B 284
GLY B 329
 None
 0.80A 1jr1B-5uwvB:
undetectable		 1jr1B-5uwvB:
21.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uze INOSINE-5'-MONOPHOSP
HATE
DEHYDROGENASE,INOSIN
E-5'-MONOPHOSPHATE
DEHYDROGENASE

(Clostridium
perfringens) 		PF00478
(IMPDH) 		4 ASN A 275
GLY A 298
THR A 305
GLY A 387
 IMP  A 500 (-4.0A)
None
8L1  A 501 (-3.9A)
IMP  A 500 ( 3.1A)
 0.27A 1jr1B-5uzeA:
51.7		 1jr1B-5uzeA:
33.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vf4 UNCHARACTERIZED
PROTEIN

(Thermus
aquaticus) 		PF03781
(FGE-sulfatase) 		4 ASP A  88
SER A 156
GLY A 168
THR A 164
 None
 0.85A 1jr1B-5vf4A:
undetectable		 1jr1B-5vf4A:
23.49
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.
5xde THERMOPHILIC
DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME C

(Paenibacillus
sp. A11-2) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 ASP A 177
ARG A 183
GLY A 229
GLY A 148
 None
 0.81A 1jr1B-5xdeA:
undetectable		 1jr1B-5xdeA:
21.10
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 4 ASN A 197
GLY A 250
THR A 405
GLY A 261
 None
None
None
CA  A 801 ( 4.3A)
 0.73A 1jr1B-5yl7A:
undetectable		 1jr1B-5yl7A:
9.91
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.
6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN

(Homo sapiens) 		no annotation 4 GLY A 573
THR A 502
GLY A 577
GLN A 576
 None
 0.76A 1jr1B-6bgzA:
undetectable		 1jr1B-6bgzA:
9.92
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.
6c7y TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 4 ASN A1008
ARG A1007
GLY A1023
THR A1025
 MG  A1202 ( 2.5A)
None
MG  A1203 ( 4.7A)
None
 0.76A 1jr1B-6c7yA:
undetectable		 1jr1B-6c7yA:
12.25
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 4 GLY A 589
THR A 518
GLY A 593
GLN A 592
 None
 0.75A 1jr1B-6ek6A:
undetectable		 1jr1B-6ek6A:
10.28