SIMILAR PATTERNS OF AMINO ACIDS FOR 4FXS_A_MOAA702

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
 1.27A 4fxsA-1b6uA:
undetectable		 4fxsA-1b6uA:
19.14
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) 		6 ASP A 172
SER A 173
ASN A 201
ILE A 223
THR A 231
ASP A 262
 None
 0.68A 4fxsA-1eepA:
47.6		 4fxsA-1eepA:
48.13
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) 		6 SER A 173
ASN A 201
ILE A 223
GLY A 224
THR A 231
ASP A 262
 None
 0.65A 4fxsA-1eepA:
47.6		 4fxsA-1eepA:
48.13
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		5 SER A 492
ASN A 517
ILE A 539
GLY A 527
CYH A 561
 None
None
None
None
CUA  A4701 (-2.2A)
 1.43A 4fxsA-1fwxA:
undetectable		 4fxsA-1fwxA:
22.65
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 275
SER A 276
ASN A 303
GLY A 326
ASP A 364
 None
None
CPR  A 631 ( 4.5A)
None
CPR  A 631 (-2.6A)
 0.54A 4fxsA-1jcnA:
41.9		 4fxsA-1jcnA:
38.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP A 274
SER A 275
GLY A 326
CYH A 331
THR A 333
 MOA  A1332 (-3.5A)
None
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
 1.12A 4fxsA-1jr1A:
53.2		 4fxsA-1jr1A:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP A 274
SER A 276
GLY A 326
CYH A 331
THR A 333
 MOA  A1332 (-3.5A)
MOA  A1332 (-2.6A)
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
 0.93A 4fxsA-1jr1A:
53.2		 4fxsA-1jr1A:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		6 SER A 275
ASN A 303
GLY A 326
CYH A 331
THR A 333
ASP A 364
 None
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
IMP  A1331 (-2.8A)
 0.76A 4fxsA-1jr1A:
53.2		 4fxsA-1jr1A:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		6 SER A 276
ASN A 303
GLY A 326
CYH A 331
THR A 333
ASP A 364
 MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
IMP  A1331 (-2.8A)
 0.63A 4fxsA-1jr1A:
53.2		 4fxsA-1jr1A:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		6 ASP A 261
SER A 262
SER A 263
ILE A 313
GLY A 314
CYH A 319
 TAD  A 901 (-2.3A)
TAD  A 901 ( 2.6A)
TAD  A 901 (-2.7A)
TAD  A 901 (-4.1A)
TAD  A 901 (-3.9A)
IMP  A 801 (-4.0A)
 0.97A 4fxsA-1lrtA:
46.8		 4fxsA-1lrtA:
30.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		7 SER A 262
SER A 263
ASN A 291
ILE A 313
GLY A 314
CYH A 319
ASP A 358
 TAD  A 901 ( 2.6A)
TAD  A 901 (-2.7A)
IMP  A 801 ( 4.6A)
TAD  A 901 (-4.1A)
TAD  A 901 (-3.9A)
IMP  A 801 (-4.0A)
IMP  A 801 (-2.5A)
 0.64A 4fxsA-1lrtA:
46.8		 4fxsA-1lrtA:
30.50
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 262
SER A 263
ILE A 313
GLY A 314
 NAD  A 987 (-2.5A)
NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
NAD  A 987 (-4.5A)
NAD  A 987 (-4.1A)
 1.09A 4fxsA-1mewA:
48.5		 4fxsA-1mewA:
36.85
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 SER A 262
SER A 263
ASN A 291
ILE A 313
GLY A 314
ASP A 358
 NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.5A)
NAD  A 987 (-4.1A)
XMP  A 602 (-2.7A)
 0.59A 4fxsA-1mewA:
48.5		 4fxsA-1mewA:
36.85
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.
1qdq CATHEPSIN B

(Bos taurus) 		PF00112
(Peptidase_C1) 		5 SER A 220
ASN A 222
ILE A  20
GLY A 229
ASP A 224
 None
 1.32A 4fxsA-1qdqA:
undetectable		 4fxsA-1qdqA:
20.13
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER B 396
SER B 259
ASN B 395
GLY A 160
ASP B 262
 None
 1.41A 4fxsA-1tqyB:
undetectable		 4fxsA-1tqyB:
26.81
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) 		5 ASN A 273
GLY A 296
CYH A 301
THR A 303
ASP A 334
 None
 0.84A 4fxsA-1vrdA:
49.4		 4fxsA-1vrdA:
55.24
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.
1ypf GMP REDUCTASE

(Bacillus
anthracis) 		PF00478
(IMPDH) 		6 ASN A 147
ILE A 169
GLY A 170
CYH A 175
THR A 177
ASP A 207
 None
 0.91A 4fxsA-1ypfA:
32.1		 4fxsA-1ypfA:
27.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ypf GMP REDUCTASE

(Bacillus
anthracis) 		PF00478
(IMPDH) 		6 ASP A 118
ASN A 147
ILE A 169
GLY A 170
THR A 177
ASP A 207
 None
 0.43A 4fxsA-1ypfA:
32.1		 4fxsA-1ypfA:
27.22
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) 		7 ASP A 253
ASN A 282
ILE A 304
GLY A 305
CYH A 310
THR A 312
ASP A 343
 IMP  A 500 ( 4.7A)
IMP  A 500 ( 4.5A)
None
None
IMP  A 500 ( 3.2A)
None
IMP  A 500 (-2.8A)
 0.39A 4fxsA-1zfjA:
57.0		 4fxsA-1zfjA:
55.98
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		5 ASN A 158
GLY A 181
CYH A 186
THR A 188
ASP A 219
 5GP  A1340 ( 4.0A)
K  A1339 (-4.8A)
5GP  A1340 ( 3.4A)
5GP  A1340 ( 4.7A)
5GP  A1340 (-2.3A)
 0.75A 4fxsA-2bwgA:
41.6		 4fxsA-2bwgA:
29.06
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		5 ASP A 129
ASN A 158
CYH A 186
THR A 188
ASP A 219
 None
5GP  A1340 ( 4.0A)
5GP  A1340 ( 3.4A)
5GP  A1340 ( 4.7A)
5GP  A1340 (-2.3A)
 0.80A 4fxsA-2bwgA:
41.6		 4fxsA-2bwgA:
29.06
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.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		7 ASP A 129
ASN A 158
ILE A 180
GLY A 181
CYH A 186
THR A 188
ASP A 219
 None
IMP  A1338 ( 4.3A)
None
None
IMP  A1338 (-2.5A)
None
IMP  A1338 (-2.7A)
 0.34A 4fxsA-2bznA:
41.3		 4fxsA-2bznA:
28.26
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ASN A 186
ILE A 187
GLY A 128
THR A 272
ASP A 193
 None
 1.02A 4fxsA-2cgjA:
undetectable		 4fxsA-2cgjA:
21.15
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 ASN A 275
ILE A 295
GLY A 296
CYH A 301
THR A 303
ASP A 334
 XMP  A1001 ( 4.4A)
None
None
XMP  A1001 (-2.6A)
XMP  A1001 (-3.7A)
XMP  A1001 (-2.4A)
 0.31A 4fxsA-2cu0A:
54.0		 4fxsA-2cu0A:
47.50
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
ILE A 295
GLY A 296
CYH A 301
THR A 303
 None
None
None
XMP  A1001 (-2.6A)
XMP  A1001 (-3.7A)
 0.78A 4fxsA-2cu0A:
54.0		 4fxsA-2cu0A:
47.50
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.
2dhz RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR (GEF)-LIKE 1

(Homo sapiens) 		no annotation 5 SER A  62
SER A  85
ASN A  84
ILE A  83
GLY A 110
 None
 1.47A 4fxsA-2dhzA:
undetectable		 4fxsA-2dhzA:
13.91
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.
2hae MALATE
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASN A 217
ILE A 215
GLY A 243
THR A 247
ASP A 220
 None
 1.27A 4fxsA-2haeA:
undetectable		 4fxsA-2haeA:
25.92
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.
2pbh PROCATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		5 SER A 220
ASN A 222
ILE A  20
GLY A 229
ASP A 224
 None
 1.24A 4fxsA-2pbhA:
undetectable		 4fxsA-2pbhA:
20.59
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.
2rsv SERINE/THREONINE-PRO
TEIN KINASE VRK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 SER A 181
ASN A 182
GLY A 223
THR A 224
ASP A 197
 None
 1.36A 4fxsA-2rsvA:
undetectable		 4fxsA-2rsvA:
20.42
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.
2yjp PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		5 SER A 108
ILE A 114
GLY A  53
THR A  97
ASP A 112
 None
 1.24A 4fxsA-2yjpA:
undetectable		 4fxsA-2yjpA:
20.56
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.
3bpq TOXIN RELE3

(Methanocaldococcus
jannaschii) 		PF05016
(ParE_toxin) 		5 SER B  34
SER B  36
ASN B  35
ILE B  72
ASP B  70
 None
 1.32A 4fxsA-3bpqB:
undetectable		 4fxsA-3bpqB:
10.46
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ASP A 581
ASN A 579
ILE A 591
GLY A 589
ASP A 577
 CA  A2000 (-2.4A)
CA  A2000 (-2.8A)
None
None
CA  A2000 (-3.3A)
 1.46A 4fxsA-3ecqA:
2.5		 4fxsA-3ecqA:
16.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ffs INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		5 ASP A 163
SER A 164
ASN A 191
ILE A 213
ASP A 252
 None
 0.48A 4fxsA-3ffsA:
44.0		 4fxsA-3ffsA:
46.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		7 ASP A 163
SER A 164
ASN A 191
ILE A 213
GLY A 214
THR A 221
ASP A 252
 None
None
IMP  A 801 ( 4.2A)
None
None
None
IMP  A 801 (-2.5A)
 0.54A 4fxsA-3khjA:
45.4		 4fxsA-3khjA:
43.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvo HYDROXYSTEROID
DEHYDROGENASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00106
(adh_short) 		5 SER A 103
ASN A 101
ILE A  22
GLY A  21
THR A 203
 NAP  A 501 (-3.4A)
NAP  A 501 (-3.6A)
NAP  A 501 (-4.2A)
NAP  A 501 (-3.5A)
NAP  A 501 (-2.7A)
 1.29A 4fxsA-3kvoA:
undetectable		 4fxsA-3kvoA:
22.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r2g INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE

(Legionella
pneumophila) 		PF00478
(IMPDH) 		6 ASP A 119
ASN A 148
ILE A 170
GLY A 171
THR A 178
ASP A 205
 None
 0.47A 4fxsA-3r2gA:
38.7		 4fxsA-3r2gA:
30.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		6 ASN A 280
ILE A 302
GLY A 303
CYH A 308
THR A 310
ASP A 341
 XMP  A 500 ( 4.4A)
None
None
XMP  A 500 (-3.3A)
XMP  A 500 (-4.5A)
XMP  A 500 (-2.8A)
 0.45A 4fxsA-3tsdA:
49.4		 4fxsA-3tsdA:
54.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 SER A 737
ILE A 241
GLY A 761
CYH A 765
THR A 244
 None
ANP  A2001 ( 4.4A)
None
None
None
 1.34A 4fxsA-3ummA:
undetectable		 4fxsA-3ummA:
18.21
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
SER B 289
SER B 290
GLY B 340
CYH B 345
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
 0.85A 4fxsA-4af0B:
51.3		 4fxsA-4af0B:
37.78
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 289
SER B 290
ASN B 317
GLY B 340
CYH B 345
ASP B 378
 MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 (-2.5A)
 0.47A 4fxsA-4af0B:
51.3		 4fxsA-4af0B:
37.78
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) 		9 ASP A 250
SER A 251
SER A 252
ASN A 279
ILE A 301
GLY A 302
CYH A 307
THR A 309
ASP A 340
 None
None
None
IMP  A 501 ( 4.4A)
None
None
IMP  A 501 (-4.9A)
None
IMP  A 501 (-2.3A)
 0.53A 4fxsA-4ix2A:
55.8		 4fxsA-4ix2A:
74.03
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) 		7 SER A 245
ASN A 273
ILE A 295
GLY A 296
CYH A 301
THR A 303
ASP A 334
 None
IMP  A 500 ( 4.1A)
None
None
IMP  A 500 ( 3.1A)
2F1  A 501 (-4.1A)
IMP  A 500 (-2.6A)
 0.31A 4fxsA-4mz1A:
57.6		 4fxsA-4mz1A:
48.39
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) 		7 ASP A 247
ASN A 276
ILE A 298
GLY A 299
CYH A 304
THR A 306
ASP A 337
 None
IMP  A 501 ( 4.3A)
None
None
IMP  A 501 (-3.0A)
IMP  A 501 ( 4.9A)
IMP  A 501 (-2.6A)
 0.30A 4fxsA-5ahmA:
57.4		 4fxsA-5ahmA:
52.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ahn INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH)
PF00571
(CBS) 		6 ASN A 276
ILE A 298
GLY A 299
CYH A 304
THR A 306
ASP A 337
 IMP  A1468 ( 4.4A)
None
None
None
None
IMP  A1468 (-2.6A)
 0.94A 4fxsA-5ahnA:
47.3		 4fxsA-5ahnA:
63.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ahn INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH)
PF00571
(CBS) 		6 ASP A 247
ASN A 276
ILE A 298
GLY A 299
THR A 306
ASP A 337
 None
IMP  A1468 ( 4.4A)
None
None
None
IMP  A1468 (-2.6A)
 0.51A 4fxsA-5ahnA:
47.3		 4fxsA-5ahnA:
63.82
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.
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis) 		PF00701
(DHDPS) 		5 SER A 210
SER A 207
GLY A 204
THR A 194
ASP A  39
 None
None
None
None
MN  A 302 (-3.4A)
 1.46A 4fxsA-5ktlA:
6.5		 4fxsA-5ktlA:
22.35
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 6 ASP A 143
ASN A 173
GLY A 196
CYH A 201
THR A 203
ASP A 234
 AUN  A 401 (-3.5A)
AUN  A 401 ( 3.1A)
None
IMP  A 400 (-3.2A)
None
IMP  A 400 (-2.6A)
 0.42A 4fxsA-5ou3A:
52.5		 4fxsA-5ou3A:
48.75
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
SER A 278
SER A 279
GLY A 329
THR A 336
 None
None
None
5GP  A 600 ( 3.2A)
5GP  A 600 (-2.6A)
 0.69A 4fxsA-5tc3A:
50.5		 4fxsA-5tc3A:
39.34
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) 		6 SER A 278
SER A 279
ASN A 306
GLY A 329
THR A 336
ASP A 367
 None
None
5GP  A 600 (-3.2A)
5GP  A 600 ( 3.2A)
5GP  A 600 (-2.6A)
5GP  A 600 (-2.4A)
 0.55A 4fxsA-5tc3A:
50.5		 4fxsA-5tc3A:
39.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ud6 DIHYDRODIPICOLINATE
SYNTHASE

(Cyanidioschyzon
merolae) 		no annotation 5 SER A 220
SER A 217
GLY A 214
THR A 204
ASP A  47
 None
 1.46A 4fxsA-5ud6A:
5.9		 4fxsA-5ud6A:
10.92
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) 		7 ASP A 251
ASN A 280
ILE A 302
GLY A 303
CYH A 308
THR A 310
ASP A 341
 None
IMP  A 500 ( 4.3A)
None
None
IMP  A 500 (-3.2A)
Q21  A 501 (-4.3A)
IMP  A 500 (-2.6A)
 0.33A 4fxsA-5upyA:
55.2		 4fxsA-5upyA:
46.83
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) 		7 ASP A 251
ASN A 280
ILE A 302
GLY A 303
CYH A 308
THR A 310
ASP A 341
 None
IMP  A 501 (-4.1A)
None
K  A 507 (-4.8A)
IMP  A 501 ( 3.2A)
8N1  A 502 (-3.9A)
IMP  A 501 (-2.4A)
 0.38A 4fxsA-5uuwA:
55.2		 4fxsA-5uuwA:
45.31
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) 		6 ASN A 275
ILE A 297
GLY A 298
CYH A 303
THR A 305
ASP A 336
 IMP  A 500 (-4.0A)
None
None
IMP  A 500 (-3.1A)
8L1  A 501 (-3.9A)
IMP  A 500 (-2.4A)
 0.32A 4fxsA-5uzeA:
54.3		 4fxsA-5uzeA:
45.88
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) 		6 ASP A 246
ASN A 275
ILE A 297
GLY A 298
CYH A 303
THR A 305
 None
IMP  A 500 (-4.0A)
None
None
IMP  A 500 (-3.1A)
8L1  A 501 (-3.9A)
 0.77A 4fxsA-5uzeA:
54.3		 4fxsA-5uzeA:
45.88
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.
5wat HOMOSERINE KINASE

(Corynebacterium
glutamicum) 		no annotation 5 ASP A 139
SER A  19
ASN A  21
GLY A 267
THR A 269
 None
None
PO4  A 403 (-3.2A)
PO4  A 402 (-4.7A)
None
 1.31A 4fxsA-5watA:
undetectable		 4fxsA-5watA:
12.83
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.
5x8o INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 6 ASP A 259
ASN A 290
GLY A 313
CYH A 318
THR A 320
ASP A 351
 None
 0.92A 4fxsA-5x8oA:
44.6		 4fxsA-5x8oA:
11.05
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.
6az0 MITOCHONDRIAL INNER
MEMBRANE I-AAA
PROTEASE
SUPERCOMPLEX SUBUNIT
YME1

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 380
SER A 346
SER A 348
ILE A 385
GLY A 386
 MG  A 803 ( 4.3A)
None
None
None
None
 1.46A 4fxsA-6az0A:
undetectable		 4fxsA-6az0A:
23.42