SIMILAR PATTERNS OF AMINO ACIDS FOR 1JR1_A_MOAA1332_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b6u P58 KILLER CELL
INHIBITORY RECEPTOR

(Homo sapiens) 		PF00047
(ig) 		5 ASP A 193
SER A 192
SER A 191
GLY A 103
THR A 102
 None
 1.36A 1jr1A-1b6uA:
undetectable		 1jr1A-1b6uA:
18.57
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.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ASN A 158
ARG A 373
GLY A 112
THR A 114
GLY A  86
 SO4  A 407 ( 3.5A)
SO4  A 407 (-2.9A)
None
None
PLP  A 405 (-3.1A)
 1.26A 1jr1A-1e5fA:
undetectable		 1jr1A-1e5fA:
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.
1ee6 PECTATE LYASE

(Bacillus sp.
KSM-P15) 		PF03211
(Pectate_lyase) 		5 SER A 165
ASN A 188
GLY A 183
THR A 160
GLN A 133
 None
 1.47A 1jr1A-1ee6A:
undetectable		 1jr1A-1ee6A:
18.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eep INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE

(Borreliella
burgdorferi) 		PF00478
(IMPDH) 		5 ASP A 172
SER A 173
ASN A 201
GLY A 224
THR A 231
 None
 1.02A 1jr1A-1eepA:
44.8		 1jr1A-1eepA:
33.07
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 SER A 103
ASN A 106
GLY A 833
THR A 832
GLN A 828
 None
 1.27A 1jr1A-1h7wA:
18.8		 1jr1A-1h7wA:
20.57
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) 		7 ASP A 274
SER A 275
SER A 276
ASN A 303
ARG A 322
MET A 325
GLY A 326
 None
None
None
CPR  A 631 ( 4.5A)
CPR  A 631 (-4.0A)
None
None
 0.60A 1jr1A-1jcnA:
50.3		 1jr1A-1jcnA:
83.46
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 SER A 276
SER A 275
GLY A 251
THR A 252
GLN A 283
 None
 1.31A 1jr1A-1jcnA:
50.3		 1jr1A-1jcnA:
83.46
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 SER A 276
SER A 275
GLY A 251
THR A 252
GLY A 301
 None
 1.16A 1jr1A-1jcnA:
50.3		 1jr1A-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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		6 ASP A 261
SER A 262
SER A 263
ASN A 291
GLY A 314
GLY A 409
 TAD  A 901 (-2.3A)
TAD  A 901 ( 2.6A)
TAD  A 901 (-2.7A)
IMP  A 801 ( 4.6A)
TAD  A 901 (-3.9A)
IMP  A 801 ( 3.2A)
 0.82A 1jr1A-1lrtA:
46.0		 1jr1A-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.
1ma1 SUPEROXIDE DISMUTASE

(Methanothermobacter
thermautotrophicus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 ASN A  86
MET A  87
GLY A  88
CYH A  93
GLY A  95
 None
 1.40A 1jr1A-1ma1A:
undetectable		 1jr1A-1ma1A:
15.59
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) 		6 ASP A 261
SER A 262
SER A 263
ASN A 291
GLY A 314
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.1A)
XMP  A 602 ( 3.1A)
 0.85A 1jr1A-1mewA:
47.3		 1jr1A-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.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		5 ASP A  47
ASN A  97
ARG A  99
GLY A 264
GLY A 219
 None
 1.37A 1jr1A-1nnhA:
undetectable		 1jr1A-1nnhA:
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.
1p22 SKP1

(Homo sapiens) 		PF01466
(Skp1)
PF03931
(Skp1_POZ) 		5 ASP B  90
ASN B  87
CYH B  99
THR B  98
GLY B  93
 None
 1.34A 1jr1A-1p22B:
undetectable		 1jr1A-1p22B:
14.09
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.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 SER A  64
SER A  65
GLY A  84
THR A  68
GLY A  38
 None
 1.25A 1jr1A-1pguA:
undetectable		 1jr1A-1pguA:
21.94
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASP A 458
ARG A 157
GLY A 254
GLY A 530
GLN A 528
 None
 1.21A 1jr1A-1xkhA:
undetectable		 1jr1A-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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		5 ASP A  15
ARG A 288
GLY A 504
THR A  95
GLY A  72
 GOL  A3020 (-2.6A)
GOL  A3020 (-2.5A)
None
None
None
 1.41A 1jr1A-1yi7A:
undetectable		 1jr1A-1yi7A:
22.72
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
CYH A 310
GLY A 392
 IMP  A 500 ( 4.7A)
IMP  A 500 ( 4.5A)
None
IMP  A 500 ( 3.2A)
IMP  A 500 (-2.9A)
 1.16A 1jr1A-1zfjA:
51.9		 1jr1A-1zfjA:
37.84
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) 		6 ASP A 253
ASN A 282
GLY A 305
CYH A 310
THR A 312
GLY A 394
 IMP  A 500 ( 4.7A)
IMP  A 500 ( 4.5A)
None
IMP  A 500 ( 3.2A)
None
IMP  A 500 (-3.0A)
 0.59A 1jr1A-1zfjA:
51.9		 1jr1A-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.
2ast S-PHASE
KINASE-ASSOCIATED
PROTEIN 1A

(Homo sapiens) 		PF01466
(Skp1)
PF03931
(Skp1_POZ) 		5 ASP A1111
ASN A1108
CYH A1120
THR A1119
GLY A1114
 None
 1.31A 1jr1A-2astA:
undetectable		 1jr1A-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) 		5 ASP A 129
ASN A 158
GLY A 181
CYH A 186
THR A 188
 None
5GP  A1340 ( 4.0A)
K  A1339 (-4.8A)
5GP  A1340 ( 3.4A)
5GP  A1340 ( 4.7A)
 1.11A 1jr1A-2bwgA:
39.2		 1jr1A-2bwgA:
23.98
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
CYH A 301
GLY A 383
 None
XMP  A1001 ( 4.4A)
None
XMP  A1001 (-2.6A)
XMP  A1001 (-3.1A)
 1.17A 1jr1A-2cu0A:
51.0		 1jr1A-2cu0A:
33.59
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) 		6 ASP A 247
ASN A 275
GLY A 296
CYH A 301
THR A 303
GLY A 385
 None
XMP  A1001 ( 4.4A)
None
XMP  A1001 (-2.6A)
XMP  A1001 (-3.7A)
XMP  A1001 (-3.1A)
 0.48A 1jr1A-2cu0A:
51.0		 1jr1A-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.
2i5i UPF0249 PROTEIN
EF_3048

(Enterococcus
faecalis) 		PF04794
(YdjC) 		5 SER A  50
ARG A 121
GLY A  14
THR A  20
GLN A  21
 None
 1.36A 1jr1A-2i5iA:
3.2		 1jr1A-2i5iA:
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.
2nv9 A207R PROTEIN,
ARGININE
DECARBOXYLASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 SER A 291
GLY A 321
CYH A 322
THR A 323
GLY A 365
 None
 1.36A 1jr1A-2nv9A:
5.1		 1jr1A-2nv9A:
22.18
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.
2vsg VARIANT SURFACE
GLYCOPROTEIN ILTAT
1.24

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		5 SER A  33
ASN A  32
MET A  29
GLY A 256
GLN A 255
 None
 1.34A 1jr1A-2vsgA:
undetectable		 1jr1A-2vsgA:
21.74
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ASP A  89
ASN A 744
MET A 743
GLY A 747
GLY A  37
 None
 1.31A 1jr1A-3a0fA:
undetectable		 1jr1A-3a0fA:
21.87
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.
3bw2 2-NITROPROPANE
DIOXYGENASE

(Streptomyces
ansochromogenes) 		PF03060
(NMO) 		5 ASP A 190
ARG A 268
GLY A 181
THR A 153
GLY A 193
 None
 1.25A 1jr1A-3bw2A:
22.0		 1jr1A-3bw2A:
23.21
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		5 ASP A 144
ASN A 142
GLY A 175
THR A 111
GLY A 156
 None
 1.49A 1jr1A-3c9fA:
undetectable		 1jr1A-3c9fA:
21.53
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 SER A 204
ASN A 224
GLY A 206
GLY A 680
GLN A 631
 GOL  A 764 (-3.5A)
None
None
None
GOL  A 764 ( 4.1A)
 1.41A 1jr1A-3eqnA:
undetectable		 1jr1A-3eqnA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 ASN A   2
MET A   1
GLY A   0
THR A  43
GLY A 393
 None
 1.48A 1jr1A-3g0tA:
undetectable		 1jr1A-3g0tA:
22.48
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ASP B 571
ASN B 554
ARG B 574
GLY B 556
GLY B 524
 None
 1.47A 1jr1A-3hkzB:
undetectable		 1jr1A-3hkzB:
19.10
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 SER A 345
GLY A 414
CYH A 413
THR A 472
GLY A 322
 None
 1.24A 1jr1A-3mosA:
undetectable		 1jr1A-3mosA:
22.90
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.
3moz MYO-INOSITOL
HEXAPHOSPHATE
PHOSPHOHYDROLASE

(Selenomonas
ruminantium) 		PF14566
(PTPlike_phytase) 		5 SER A 106
ASN A  69
ARG A  68
GLY A 288
THR A 260
 GOL  A1007 ( 3.9A)
None
5IP  A 401 (-3.9A)
None
None
 1.19A 1jr1A-3mozA:
undetectable		 1jr1A-3mozA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.33A 1jr1A-3nixA:
undetectable		 1jr1A-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.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		5 SER A 212
MET A 216
GLY A 191
GLY A 156
GLN A 197
 None
 1.25A 1jr1A-3pnzA:
5.8		 1jr1A-3pnzA:
22.80
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.
3pxh RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE F

(Mus musculus) 		PF07679
(I-set) 		5 SER A 132
ASN A 161
GLY A 159
THR A 136
GLY A 214
 None
 1.48A 1jr1A-3pxhA:
undetectable		 1jr1A-3pxhA:
17.43
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.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		5 ASP A 357
ARG A 193
GLY A 365
THR A 155
GLY A 158
 None
 1.39A 1jr1A-3r75A:
undetectable		 1jr1A-3r75A:
23.76
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.
3ue9 ADENYLOSUCCINATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF00709
(Adenylsucc_synt) 		5 ASN A 340
GLY A 274
THR A 276
GLY A  22
GLN A  20
 None
 1.34A 1jr1A-3ue9A:
undetectable		 1jr1A-3ue9A:
23.68
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
ASN B 317
ARG B 336
MET B 339
GLY B 340
CYH B 345
GLY B 427
 MOA  B1526 (-3.3A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
None
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 (-3.2A)
 1.19A 1jr1A-4af0B:
57.1		 1jr1A-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) 		10 ASP B 288
SER B 289
SER B 290
ASN B 317
ARG B 336
MET B 339
GLY B 340
CYH B 345
GLY B 429
GLN B 470
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
None
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 ( 3.3A)
MOA  B1526 ( 3.7A)
 0.62A 1jr1A-4af0B:
57.1		 1jr1A-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) 		6 SER B 290
ASN B 317
MET B 339
GLY B 340
GLY B 471
GLN B 470
 MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
None
MOA  B1526 (-4.0A)
IMP  B1527 (-3.1A)
MOA  B1526 ( 3.7A)
 1.17A 1jr1A-4af0B:
57.1		 1jr1A-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 SER B 290
SER B 289
GLY B 265
THR B 266
GLN B 297
 MOA  B1526 (-2.6A)
MOA  B1526 (-3.9A)
None
None
None
 1.33A 1jr1A-4af0B:
57.1		 1jr1A-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.
4bg2 PATF

(Prochloron
didemni) 		no annotation 5 ASP A 305
SER A  50
ASN A  72
GLY A  74
THR A  76
 None
 1.29A 1jr1A-4bg2A:
undetectable		 1jr1A-4bg2A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c00 TRANSLOCATION AND
ASSEMBLY MODULE TAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA)
PF17243
(POTRA_TamA_1) 		5 ASP A 473
SER A 475
ARG A 477
GLY A 449
THR A 450
 None
None
None
MC3  A 603 (-2.7A)
None
 1.46A 1jr1A-4c00A:
undetectable		 1jr1A-4c00A:
21.55
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.
4c00 TRANSLOCATION AND
ASSEMBLY MODULE TAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA)
PF17243
(POTRA_TamA_1) 		5 ASP A 473
SER A 475
ARG A 477
GLY A 502
THR A 450
 None
None
None
MC3  A 603 ( 3.2A)
None
 1.46A 1jr1A-4c00A:
undetectable		 1jr1A-4c00A:
21.55
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ASP A 178
ARG A 181
GLY A 337
THR A 335
GLY A 163
 None
None
None
None
FAD  A1392 (-3.3A)
 1.46A 1jr1A-4cnkA:
undetectable		 1jr1A-4cnkA:
24.16
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.
4emd 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Mycobacteroides
abscessus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ASP A 117
MET A 111
GLY A 109
GLY A  68
GLN A  67
 None
 1.34A 1jr1A-4emdA:
undetectable		 1jr1A-4emdA:
20.98
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) 		5 ASP A 250
SER A 251
GLY A 302
CYH A 307
THR A 309
 MOA  A 702 (-3.2A)
MOA  A 702 (-3.7A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.0A)
MOA  A 702 (-3.4A)
 1.12A 1jr1A-4fxsA:
53.2		 1jr1A-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) 		5 ASP A 250
SER A 252
GLY A 302
CYH A 307
THR A 309
 MOA  A 702 (-3.2A)
MOA  A 702 (-2.8A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.0A)
MOA  A 702 (-3.4A)
 0.93A 1jr1A-4fxsA:
53.2		 1jr1A-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) 		6 SER A 251
ASN A 279
GLY A 302
CYH A 307
THR A 309
GLY A 391
 MOA  A 702 (-3.7A)
MOA  A 702 (-3.5A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.0A)
MOA  A 702 (-3.4A)
IMP  A 701 (-3.2A)
 0.80A 1jr1A-4fxsA:
53.2		 1jr1A-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) 		6 SER A 252
ASN A 279
GLY A 302
CYH A 307
THR A 309
GLY A 391
 MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.0A)
MOA  A 702 (-3.4A)
IMP  A 701 (-3.2A)
 0.64A 1jr1A-4fxsA:
53.2		 1jr1A-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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		5 SER A 225
SER A 226
ARG A 253
THR A 238
GLY A 193
 None
 1.28A 1jr1A-4h0pA:
undetectable		 1jr1A-4h0pA:
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.
4huc PROBABLE CONSERVED
LIPOPROTEIN LPPS

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ASN A 356
MET A 280
GLY A 281
THR A 287
GLY A 332
 None
 1.07A 1jr1A-4hucA:
undetectable		 1jr1A-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) 		6 ASP A 250
SER A 251
ASN A 279
GLY A 302
CYH A 307
THR A 309
 None
None
IMP  A 501 ( 4.4A)
None
IMP  A 501 (-4.9A)
None
 0.95A 1jr1A-4ix2A:
49.0		 1jr1A-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) 		6 ASP A 250
SER A 252
ASN A 279
GLY A 302
CYH A 307
THR A 309
 None
None
IMP  A 501 ( 4.4A)
None
IMP  A 501 (-4.9A)
None
 0.79A 1jr1A-4ix2A:
49.0		 1jr1A-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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 ASP A 174
SER A 175
GLY A 321
GLY A 290
GLN A 289
 None
PYR  A 402 (-2.6A)
None
None
None
 1.45A 1jr1A-4lrsA:
6.9		 1jr1A-4lrsA:
23.70
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 SER A 281
SER A 282
MET A 271
GLY A 261
GLY A 359
 None
 1.43A 1jr1A-4mo9A:
undetectable		 1jr1A-4mo9A:
21.50
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) 		5 ASN A 273
GLY A 296
CYH A 301
THR A 303
GLY A 385
 IMP  A 500 ( 4.1A)
None
IMP  A 500 ( 3.1A)
2F1  A 501 (-4.1A)
IMP  A 500 ( 3.3A)
 0.35A 1jr1A-4mz1A:
53.8		 1jr1A-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) 		5 ASP A 244
ASN A 273
GLY A 296
THR A 303
GLY A 385
 None
IMP  A 500 ( 4.1A)
None
2F1  A 501 (-4.1A)
IMP  A 500 ( 3.3A)
 0.78A 1jr1A-4mz1A:
53.8		 1jr1A-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) 		5 ASP A 244
SER A 245
GLY A 296
THR A 303
GLY A 385
 None
None
None
2F1  A 501 (-4.1A)
IMP  A 500 ( 3.3A)
 1.15A 1jr1A-4mz1A:
53.8		 1jr1A-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) 		5 SER A 245
GLY A 296
CYH A 301
THR A 303
GLY A 385
 None
None
IMP  A 500 ( 3.1A)
2F1  A 501 (-4.1A)
IMP  A 500 ( 3.3A)
 0.70A 1jr1A-4mz1A:
53.8		 1jr1A-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.
4qtf L,D-TRANSPEPTIDASE
LDTB

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ASN A 356
MET A 280
GLY A 281
THR A 287
GLY A 332
 None
None
None
None
3V5  A 502 (-3.3A)
 1.11A 1jr1A-4qtfA:
undetectable		 1jr1A-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.
4rxt SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF13407
(Peripla_BP_4) 		5 ASP A 123
GLY A 142
THR A 140
GLY A 175
GLN A 179
 ARA  A 401 (-2.7A)
None
None
None
None
 1.44A 1jr1A-4rxtA:
undetectable		 1jr1A-4rxtA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rxt SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF13407
(Peripla_BP_4) 		5 ASP A 123
GLY A 143
THR A 140
GLY A 175
GLN A 179
 ARA  A 401 (-2.7A)
None
None
None
None
 1.40A 1jr1A-4rxtA:
undetectable		 1jr1A-4rxtA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wxu MYOCILIN

(Homo sapiens) 		PF02191
(OLF) 		5 SER A 474
SER A 475
GLY A 326
THR A 325
GLY A 375
 None
None
NA  A 607 (-3.6A)
None
None
 1.31A 1jr1A-4wxuA:
undetectable		 1jr1A-4wxuA:
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.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		5 ASN A 236
MET A 160
GLY A 161
THR A 167
GLY A 212
 PO4  A 501 (-3.5A)
None
None
None
None
 0.95A 1jr1A-4xvoA:
undetectable		 1jr1A-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) 		6 ASP A 277
SER A 278
SER A 279
ASN A 306
ARG A 325
MET A 328
 None
 0.64A 1jr1A-4xwuA:
47.2		 1jr1A-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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 MET I 193
GLY I 192
THR I 348
GLY I 185
GLN I 189
 None
 1.37A 1jr1A-4zoqI:
undetectable		 1jr1A-4zoqI:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ASP A  48
SER A 370
ASN A 369
ARG A 378
GLY A 366
 None
 1.30A 1jr1A-4zyjA:
undetectable		 1jr1A-4zyjA:
23.11
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) 		5 ASN A 276
GLY A 299
CYH A 304
THR A 306
GLY A 388
 IMP  A 501 ( 4.3A)
None
IMP  A 501 (-3.0A)
IMP  A 501 ( 4.9A)
IMP  A 501 (-3.1A)
 0.36A 1jr1A-5ahmA:
52.9		 1jr1A-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.
5cef ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 SER A 110
SER A  87
ASN A 111
GLY A  19
GLY A  10
 None
 0.97A 1jr1A-5cefA:
undetectable		 1jr1A-5cefA:
23.03
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.
5cvc SERINE RACEMASE

(Zea mays) 		PF00291
(PALP) 		5 SER A 164
ASN A 163
GLY A 194
GLY A 200
GLN A 171
 None
None
PLP  A 402 (-3.5A)
None
None
 1.08A 1jr1A-5cvcA:
undetectable		 1jr1A-5cvcA:
22.80
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.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 SER A  94
SER A  93
MET A 440
GLY A 439
GLY A 257
 EDO  A 502 ( 3.9A)
FAD  A 501 (-2.5A)
FAD  A 501 (-4.2A)
FAD  A 501 (-3.2A)
FAD  A 501 (-3.4A)
 1.42A 1jr1A-5i39A:
undetectable		 1jr1A-5i39A:
23.33
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.
5k1s OXIDOREDUCTASE,
ZINC-BINDING
DEHYDROGENASE FAMILY

(Myxococcus
xanthus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 183
SER A 182
GLY A 308
THR A 304
GLN A 311
 None
 1.45A 1jr1A-5k1sA:
undetectable		 1jr1A-5k1sA:
20.93
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.
5k69 L,D-TRANSPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ASN A 356
MET A 280
GLY A 281
THR A 287
GLY A 332
 6QR  A 503 (-3.6A)
None
None
None
None
 1.11A 1jr1A-5k69A:
undetectable		 1jr1A-5k69A:
22.74
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.
5mlv -

(-) 		no annotation 5 SER G 315
ARG G 304
GLY G 363
THR G 194
GLY G 197
 ANP  G 502 (-4.4A)
None
ANP  G 502 ( 4.7A)
ANP  G 502 ( 4.8A)
ANP  G 502 (-3.2A)
 1.23A 1jr1A-5mlvG:
undetectable		 1jr1A-5mlvG:
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 5 ASP A 397
ARG A 368
GLY A 338
CYH A 465
GLY A 419
 None
 1.33A 1jr1A-5mqpA:
undetectable		 1jr1A-5mqpA:
22.68
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.
5muf SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PGAM5, MITOCHONDRIAL

(Homo sapiens) 		PF00300
(His_Phos_1) 		5 SER A 289
ASN A 256
ARG A 104
GLY A 124
THR A 121
 None
None
PO4  A 301 (-4.1A)
None
None
 1.49A 1jr1A-5mufA:
undetectable		 1jr1A-5mufA:
18.83
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata) 		no annotation 5 ASP A 117
SER A 165
ASN A 157
ARG A 159
GLY A 197
 None
 1.49A 1jr1A-5nnbA:
undetectable		 1jr1A-5nnbA:
10.28
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 5 ASN A 173
GLY A 196
CYH A 201
THR A 203
GLY A 285
 AUN  A 401 ( 3.1A)
None
IMP  A 400 (-3.2A)
None
AUN  A 401 ( 3.2A)
 0.58A 1jr1A-5ou3A:
48.5		 1jr1A-5ou3A:
43.53
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 5 ASP A 143
ASN A 173
GLY A 196
CYH A 201
THR A 203
 AUN  A 401 (-3.5A)
AUN  A 401 ( 3.1A)
None
IMP  A 400 (-3.2A)
None
 0.86A 1jr1A-5ou3A:
48.5		 1jr1A-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)
 1.08A 1jr1A-5tc3A:
59.0		 1jr1A-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) 		9 ASP A 277
SER A 278
SER A 279
ASN A 306
ARG A 325
MET A 328
GLY A 329
THR A 336
GLY A 418
 None
None
None
5GP  A 600 (-3.2A)
5GP  A 600 (-3.1A)
None
5GP  A 600 ( 3.2A)
5GP  A 600 (-2.6A)
5GP  A 600 (-3.1A)
 0.70A 1jr1A-5tc3A:
59.0		 1jr1A-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) 		8 ASP A 277
SER A 279
ASN A 306
ARG A 325
MET A 328
GLY A 329
THR A 336
GLN A 448
 None
None
5GP  A 600 (-3.2A)
5GP  A 600 (-3.1A)
None
5GP  A 600 ( 3.2A)
5GP  A 600 (-2.6A)
None
 0.34A 1jr1A-5tc3A:
59.0		 1jr1A-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 SER A 279
ASN A 306
MET A 328
GLY A 329
THR A 336
GLY A 449
GLN A 448
 None
5GP  A 600 (-3.2A)
None
5GP  A 600 ( 3.2A)
5GP  A 600 (-2.6A)
5GP  A 600 ( 3.8A)
None
 1.21A 1jr1A-5tc3A:
59.0		 1jr1A-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) 		5 SER A 279
SER A 278
GLY A 254
THR A 255
GLN A 286
 None
 1.32A 1jr1A-5tc3A:
59.0		 1jr1A-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) 		5 ASN A 280
GLY A 303
CYH A 308
THR A 310
GLY A 392
 IMP  A 500 ( 4.3A)
None
IMP  A 500 (-3.2A)
Q21  A 501 (-4.3A)
IMP  A 500 ( 3.3A)
 0.42A 1jr1A-5upyA:
50.0		 1jr1A-5upyA:
30.30
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) 		5 ASP A 251
ASN A 280
GLY A 303
CYH A 308
THR A 310
 None
IMP  A 500 ( 4.3A)
None
IMP  A 500 (-3.2A)
Q21  A 501 (-4.3A)
 0.78A 1jr1A-5upyA:
50.0		 1jr1A-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) 		5 ASN A 280
GLY A 303
CYH A 308
THR A 310
GLY A 392
 IMP  A 501 (-4.1A)
K  A 507 (-4.8A)
IMP  A 501 ( 3.2A)
8N1  A 502 (-3.9A)
IMP  A 501 ( 3.2A)
 0.38A 1jr1A-5uuwA:
50.7		 1jr1A-5uuwA:
31.72
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) 		5 ASP A 251
GLY A 303
CYH A 308
THR A 310
GLY A 392
 None
K  A 507 (-4.8A)
IMP  A 501 ( 3.2A)
8N1  A 502 (-3.9A)
IMP  A 501 ( 3.2A)
 0.72A 1jr1A-5uuwA:
50.7		 1jr1A-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 5 ASN B 353
MET B 277
GLY B 278
THR B 284
GLY B 329
 None
 1.13A 1jr1A-5uwvB:
undetectable		 1jr1A-5uwvB:
21.44
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.
5uy7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Burkholderia
ambifaria) 		PF00905
(Transpeptidase) 		5 SER A 360
SER A 361
ASN A 362
THR A 330
GLY A 347
 SO4  A 701 ( 4.3A)
None
None
None
None
 1.37A 1jr1A-5uy7A:
undetectable		 1jr1A-5uy7A:
22.78
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) 		5 ASN A 275
GLY A 298
CYH A 303
THR A 305
GLY A 387
 IMP  A 500 (-4.0A)
None
IMP  A 500 (-3.1A)
8L1  A 501 (-3.9A)
IMP  A 500 ( 3.1A)
 0.38A 1jr1A-5uzeA:
52.0		 1jr1A-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.
6bqw BACTERIAL ACTIN ALFA

(Bacillus
subtilis) 		no annotation 5 ASP A   8
ASN A  11
GLY A 195
THR A 196
GLY A 225
 ANP  A 301 (-3.7A)
ANP  A 301 (-3.8A)
None
None
ANP  A 301 ( 4.7A)
 1.18A 1jr1A-6bqwA:
undetectable		 1jr1A-6bqwA:
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.
6bs7 ADENYLOSUCCINATE
SYNTHETASE

(Legionella
pneumophila) 		no annotation 5 ASN A 323
GLY A 265
THR A 267
GLY A  13
GLN A  11
 None
 1.35A 1jr1A-6bs7A:
undetectable		 1jr1A-6bs7A:
9.98
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.
6ch7 BG18 LIGHT CHAIN

(Homo sapiens) 		no annotation 5 ASP R  93
SER R  92
SER R  91
GLY R 102
GLY R  26
 None
 1.17A 1jr1A-6ch7R:
undetectable		 1jr1A-6ch7R:
9.87