SIMILAR PATTERNS OF AMINO ACIDS FOR 3UWL_D_FOZD316_0

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.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		5 LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.95A 3uwlD-1ci7A:
36.5		 3uwlD-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		7 TRP A  87
LEU A 170
HIS A 174
LEU A 205
GLY A 206
ASN A 210
TYR A 242
 None
UMP  A 767 (-4.7A)
None
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.82A 3uwlD-1ci7A:
36.5		 3uwlD-1ci7A:
44.18
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		5 LEU A  52
LEU A  74
PHE A  54
ASN A  56
ALA A  61
 None
None
None
None
FMN  A1337 (-3.4A)
 1.03A 3uwlD-1f76A:
0.0		 3uwlD-1f76A:
23.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		6 LEU A 192
LEU A 221
GLY A 222
ASN A 226
TYR A 258
ALA A 312
 None
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.95A 3uwlD-1hvyA:
38.7		 3uwlD-1hvyA:
48.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		6 LEU A 192
LEU A 221
GLY A 222
PHE A 225
ASN A 226
TYR A 258
 None
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
 1.15A 3uwlD-1hvyA:
38.7		 3uwlD-1hvyA:
48.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		6 TRP A 109
LEU A 192
GLY A 222
ASN A 226
TYR A 258
ALA A 312
 D16  A 414 (-3.7A)
None
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.82A 3uwlD-1hvyA:
38.7		 3uwlD-1hvyA:
48.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 LEU C 487
LEU C 516
GLY C 517
PHE C 520
ASN C 521
 None
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-2.8A)
 0.82A 3uwlD-1j3jC:
35.2		 3uwlD-1j3jC:
37.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 TRP C 404
LEU C 487
LEU C 516
GLY C 517
ASN C 521
 None
None
None
UMP  C 611 (-3.5A)
UMP  C 611 (-2.8A)
 1.03A 3uwlD-1j3jC:
35.2		 3uwlD-1j3jC:
37.94
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.
1jax CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF03807
(F420_oxidored) 		5 GLY A  30
ASN A  58
TYR A  44
ILE A  27
ALA A  17
 None
 1.05A 3uwlD-1jaxA:
0.0		 3uwlD-1jaxA:
24.22
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.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 LEU A 330
GLY A 342
ASN A 310
TYR A 215
ALA A 359
 None
 0.92A 3uwlD-1pieA:
0.0		 3uwlD-1pieA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 HIS A 157
LEU A 182
GLY A 183
ASN A 187
TYR A 219
 None
 0.73A 3uwlD-1tisA:
29.7		 3uwlD-1tisA:
41.90
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 GLY A 694
ASN A 730
TYR A 689
ILE A 726
ALA A 691
 None
 1.08A 3uwlD-1u1hA:
0.0		 3uwlD-1u1hA:
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		5 LEU A 401
GLY A 382
PHE A 396
ASN A 395
ILE A 315
 None
 1.05A 3uwlD-1w8oA:
0.0		 3uwlD-1w8oA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wer P120GAP

(Homo sapiens) 		PF00616
(RasGAP) 		5 LEU A 819
LEU A 852
HIS A 847
ILE A 909
ALA A 934
 None
 1.01A 3uwlD-1werA:
undetectable		 3uwlD-1werA:
24.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		8 TRP A 101
LEU A 184
HIS A 188
LEU A 222
GLY A 223
PHE A 226
ASN A 227
TYR A 259
 CB3  A2351 (-3.7A)
None
UMP  A 350 (-4.2A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.53A 3uwlD-2aazA:
undetectable		 3uwlD-2aazA:
41.01
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 LEU A  26
LEU A  37
GLY A  82
PHE A  86
TYR A 182
 None
 0.76A 3uwlD-2c7bA:
undetectable		 3uwlD-2c7bA:
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 680
LEU A 398
LEU A 718
GLY A 719
ILE A 674
 None
 1.03A 3uwlD-2f3oA:
undetectable		 3uwlD-2f3oA:
18.77
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.
2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		5 LEU A 164
LEU A 123
GLY A 110
ILE A 157
ALA A 154
 None
None
STU  A 400 (-3.4A)
None
None
 1.04A 3uwlD-2gcdA:
undetectable		 3uwlD-2gcdA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 TRP A 317
HIS A 404
LEU A 429
GLY A 430
ASN A 434
TYR A 466
 None
DU  A 611 (-4.2A)
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
DU  A 611 (-4.6A)
 0.75A 3uwlD-2h2qA:
33.4		 3uwlD-2h2qA:
27.37
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 TRP A 317
LEU A 400
HIS A 404
LEU A 429
GLY A 430
ASN A 434
 None
None
DU  A 611 (-4.2A)
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.83A 3uwlD-2h2qA:
33.4		 3uwlD-2h2qA:
27.37
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.
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)

(Homo sapiens) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 LEU A 121
LEU A 188
GLY A 187
ILE A 223
ALA A 222
 None
 1.07A 3uwlD-2hgsA:
undetectable		 3uwlD-2hgsA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i51 UNCHARACTERIZED
CONSERVED PROTEIN OF
COG5135

(Nostoc
punctiforme) 		PF12766
(Pyridox_oxase_2) 		5 LEU A 159
LEU A   3
GLY A  46
ILE A  10
ALA A  11
 None
EDO  A 303 (-4.5A)
None
None
None
 1.05A 3uwlD-2i51A:
undetectable		 3uwlD-2i51A:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 TRP A 316
LEU A 399
HIS A 403
LEU A 429
GLY A 430
PHE A 433
ASN A 434
TYR A 466
ALA A 520
 CB3  A 604 ( 4.4A)
None
UMP  A 603 ( 4.4A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.58A 3uwlD-2oipA:
38.0		 3uwlD-2oipA:
27.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		7 LEU A  56
LEU A 195
HIS A 199
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 None
THF  A 568 (-4.6A)
None
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.99A 3uwlD-2tddA:
42.9		 3uwlD-2tddA:
73.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		7 LEU A  56
LEU A 195
LEU A 224
GLY A 225
PHE A 228
ASN A 229
TYR A 261
 None
THF  A 568 (-4.6A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
UFP  A 529 (-4.7A)
 0.86A 3uwlD-2tddA:
42.9		 3uwlD-2tddA:
73.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		7 LEU A  56
TRP A  82
LEU A 195
LEU A 224
GLY A 225
PHE A 228
ASN A 229
 None
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.87A 3uwlD-2tddA:
42.9		 3uwlD-2tddA:
73.33
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.
2wl1 PYRIN

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 LEU A 611
LEU A 643
GLY A 644
ILE A 755
ALA A 669
 None
 1.09A 3uwlD-2wl1A:
undetectable		 3uwlD-2wl1A:
20.89
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 LEU A 978
LEU A 809
PHE A 932
ILE A 816
ALA A 339
 None
 1.02A 3uwlD-2yn9A:
undetectable		 3uwlD-2yn9A:
14.57
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.
2zbw THIOREDOXIN
REDUCTASE

(Thermus
thermophilus) 		PF07992
(Pyr_redox_2) 		5 LEU A  91
GLY A  12
PHE A  33
ILE A 114
ALA A 284
 None
FAD  A1002 (-3.0A)
None
None
None
 1.05A 3uwlD-2zbwA:
undetectable		 3uwlD-2zbwA:
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 5 LEU A 403
LEU A 586
GLY A 587
ILE A 367
ALA A 368
 None
 0.97A 3uwlD-2zuxA:
undetectable		 3uwlD-2zuxA:
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.
3bkx SAM-DEPENDENT
METHYLTRANSFERASE

(Lactobacillus
paracasei) 		PF13649
(Methyltransf_25) 		5 LEU A 131
TRP A 159
LEU A 223
LEU A  56
ILE A  34
 None
 1.01A 3uwlD-3bkxA:
undetectable		 3uwlD-3bkxA:
22.55
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.
3gnl UNCHARACTERIZED
PROTEIN, DUF633,
LMOF2365_1472

(Listeria
monocytogenes) 		PF04816
(TrmK) 		5 TRP A 139
LEU A 125
LEU A 107
GLY A 105
ILE A 111
 None
 1.09A 3uwlD-3gnlA:
undetectable		 3uwlD-3gnlA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i16 ALUMINUM RESISTANCE
PROTEIN

(Clostridium
novyi) 		PF06838
(Met_gamma_lyase) 		5 LEU A 309
LEU A 390
GLY A 406
ILE A 351
ALA A 378
 None
 1.09A 3uwlD-3i16A:
undetectable		 3uwlD-3i16A:
21.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 HIS A 147
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.71A 3uwlD-3ix6A:
33.4		 3uwlD-3ix6A:
41.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 LEU A 143
HIS A 147
LEU A 172
GLY A 173
PHE A 176
 None
 0.92A 3uwlD-3ix6A:
33.4		 3uwlD-3ix6A:
41.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 LEU A 143
LEU A 172
GLY A 173
PHE A 176
ASN A 177
 None
 0.56A 3uwlD-3ix6A:
33.4		 3uwlD-3ix6A:
41.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 HIS A 175
LEU A 200
GLY A 201
ASN A 205
TYR A 237
 None
 0.53A 3uwlD-3kgbA:
31.5		 3uwlD-3kgbA:
45.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 TRP A 307
LEU A 390
HIS A 394
LEU A 419
GLY A 420
PHE A 423
ASN A 424
TYR A 456
 GOL  A 516 (-3.7A)
None
None
None
None
None
None
None
 0.59A 3uwlD-3kjrA:
38.4		 3uwlD-3kjrA:
28.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lyk STRINGENT STARVATION
PROTEIN A HOMOLOG

(Haemophilus
influenzae) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 LEU A 132
LEU A 137
GLY A 138
ILE A 183
ALA A 182
 None
 1.09A 3uwlD-3lykA:
undetectable		 3uwlD-3lykA:
22.08
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.
3naw SECRETED EFFECTOR
PROTEIN

(Escherichia
coli) 		PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA) 		5 LEU A 744
LEU A 655
GLY A 657
ILE A 711
ALA A 648
 None
 0.95A 3uwlD-3nawA:
undetectable		 3uwlD-3nawA:
19.81
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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		6 LEU A 376
LEU A 321
GLY A 320
PHE A 355
ILE A 333
ALA A 330
 None
None
None
None
GOL  A 440 (-4.4A)
None
 1.46A 3uwlD-3nwrA:
undetectable		 3uwlD-3nwrA:
21.78
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 296
GLY A 370
PHE A 388
ASN A 389
ILE A 372
 None
 0.95A 3uwlD-3redA:
undetectable		 3uwlD-3redA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rmu METHYLMALONYL-COA
EPIMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF13669
(Glyoxalase_4) 		5 LEU A  91
HIS A 154
LEU A  98
ILE A  53
ALA A  54
 None
 0.97A 3uwlD-3rmuA:
undetectable		 3uwlD-3rmuA:
18.97
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 HIS A 491
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-3.6A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.72A 3uwlD-3um6A:
35.3		 3uwlD-3um6A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LEU A 487
HIS A 491
LEU A 516
GLY A 517
PHE A 520
 None
UMP  A 611 (-3.6A)
None
UMP  A 611 (-3.3A)
None
 1.02A 3uwlD-3um6A:
35.3		 3uwlD-3um6A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LEU A 487
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 None
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 0.79A 3uwlD-3um6A:
35.3		 3uwlD-3um6A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 TRP A 404
LEU A 487
LEU A 516
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.00A 3uwlD-3um6A:
35.3		 3uwlD-3um6A:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 TRP A  80
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.04A 3uwlD-3v8hA:
33.1		 3uwlD-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		7 TRP A  80
LEU A 189
HIS A 193
LEU A 220
GLY A 221
ASN A 225
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
None
CIT  A 400 (-4.5A)
 0.81A 3uwlD-3v8hA:
33.1		 3uwlD-3v8hA:
32.02
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.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		5 LEU A 203
GLY A 204
PHE A 207
ILE A  51
ALA A 179
 None
None
IPE  A 402 (-4.5A)
None
None
 1.02A 3uwlD-3wjoA:
undetectable		 3uwlD-3wjoA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxw ADIPONECTIN RECEPTOR
PROTEIN 2

(Homo sapiens) 		PF03006
(HlyIII) 		5 LEU A 225
GLY A 222
PHE A 197
ILE A 261
ALA A 260
 None
 1.05A 3uwlD-3wxwA:
undetectable		 3uwlD-3wxwA:
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.
4ag6 TYPE IV SECRETORY
PATHWAY VIRB4
COMPONENTS-LIKE
PROTEIN

(Thermoanaerobacter
pseudethanolicus) 		PF01935
(DUF87) 		5 LEU A 534
LEU A 541
GLY A 537
ILE A 544
ALA A 543
 None
 1.07A 3uwlD-4ag6A:
undetectable		 3uwlD-4ag6A:
22.50
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.
4cg4 PYRIN

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 LEU A 611
LEU A 643
GLY A 644
ILE A 755
ALA A 669
 None
 1.03A 3uwlD-4cg4A:
undetectable		 3uwlD-4cg4A:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cij GST REP

(Geobacillus
stearothermophilus) 		PF02486
(Rep_trans) 		5 LEU A 261
LEU A 226
GLY A 224
TYR A 229
ILE A 197
 None
 1.03A 3uwlD-4cijA:
undetectable		 3uwlD-4cijA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		6 LEU A  59
LEU A 198
GLY A 228
PHE A 231
ASN A 232
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 1.28A 3uwlD-4dq1A:
39.4		 3uwlD-4dq1A:
65.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		6 LEU A  59
LEU A 198
HIS A 202
LEU A 227
GLY A 228
TYR A 264
 None
None
UMP  A 501 (-4.0A)
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.94A 3uwlD-4dq1A:
39.4		 3uwlD-4dq1A:
65.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		6 LEU A  59
LEU A 198
LEU A 227
GLY A 228
ASN A 232
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.52A 3uwlD-4dq1A:
39.4		 3uwlD-4dq1A:
65.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		8 TRP A  80
TRP A  83
LEU A 143
HIS A 147
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
UFP  A 301 (-4.0A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.58A 3uwlD-4fogA:
38.2		 3uwlD-4fogA:
52.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		6 HIS A 150
LEU A 175
GLY A 176
PHE A 179
ASN A 180
TYR A 212
 UMP  A 301 (-4.2A)
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
UMP  A 301 (-4.5A)
 0.51A 3uwlD-4h0uA:
36.1		 3uwlD-4h0uA:
52.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		6 LEU A 146
HIS A 150
LEU A 175
GLY A 176
PHE A 179
ASN A 180
 None
UMP  A 301 (-4.2A)
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
 0.50A 3uwlD-4h0uA:
36.1		 3uwlD-4h0uA:
52.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		6 TRP A  83
LEU A 146
HIS A 150
GLY A 176
PHE A 179
ASN A 180
 None
None
UMP  A 301 (-4.2A)
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
 0.76A 3uwlD-4h0uA:
36.1		 3uwlD-4h0uA:
52.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 HIS A 198
LEU A 223
GLY A 224
ASN A 228
TYR A 260
 UMP  A 401 ( 4.7A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
D16  A 402 ( 4.2A)
 0.83A 3uwlD-4iqqA:
35.0		 3uwlD-4iqqA:
43.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		6 TRP A 111
LEU A 194
HIS A 198
LEU A 223
GLY A 224
ASN A 228
 None
None
UMP  A 401 ( 4.7A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.78A 3uwlD-4iqqA:
35.0		 3uwlD-4iqqA:
43.63
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.
4o7i 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00459
(Inositol_P) 		5 LEU A 136
LEU A 288
LEU A 263
GLY A 261
ILE A 144
 None
 1.02A 3uwlD-4o7iA:
undetectable		 3uwlD-4o7iA:
22.50
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.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		5 LEU A 189
LEU A 169
GLY A 167
ILE A 116
ALA A 117
 None
 1.00A 3uwlD-4ofwA:
undetectable		 3uwlD-4ofwA:
20.78
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 LEU A 297
LEU A 136
GLY A 141
PHE A 139
ILE A 145
 None
 1.08A 3uwlD-4p9nA:
undetectable		 3uwlD-4p9nA:
23.24
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.
4q66 PROTEIN BCH1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU K 588
LEU K 496
GLY K 492
TYR K 499
ILE K 487
 None
 1.09A 3uwlD-4q66K:
undetectable		 3uwlD-4q66K:
19.97
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.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 LEU A 508
LEU A 516
GLY A 514
ILE A 613
ALA A 612
 None
 0.93A 3uwlD-4woeA:
undetectable		 3uwlD-4woeA:
16.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		6 TRP A  97
LEU A 180
LEU A 209
GLY A 210
ASN A 214
TYR A 246
 1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 0.76A 3uwlD-4xscA:
34.5		 3uwlD-4xscA:
41.81
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.
4xuv GLYCOSIDE HYDROLASE
FAMILY 105 PROTEIN

(Thielavia
terrestris) 		PF07470
(Glyco_hydro_88) 		5 LEU A 238
LEU A 172
GLY A 173
ILE A 168
ALA A 106
 None
 1.07A 3uwlD-4xuvA:
undetectable		 3uwlD-4xuvA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y81 PROTEASOME SUBUNIT
BETA TYPE-6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 LEU L 205
LEU L  84
GLY L 113
ILE L 111
ALA L  90
 None
 1.03A 3uwlD-4y81L:
undetectable		 3uwlD-4y81L:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 LEU A 255
GLY A 251
ASN A 277
ILE A 282
ALA A   7
 None
 1.04A 3uwlD-4ypvA:
undetectable		 3uwlD-4ypvA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yze HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR NEMR

(Escherichia
coli) 		PF00440
(TetR_N)
PF16925
(TetR_C_13) 		5 LEU A  75
GLY A 144
ASN A 147
ILE A 194
ALA A 195
 None
 1.09A 3uwlD-4yzeA:
undetectable		 3uwlD-4yzeA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 LEU I 123
LEU I 330
LEU I 377
GLY I 327
PHE I 125
 None
 0.95A 3uwlD-4zoqI:
undetectable		 3uwlD-4zoqI:
21.68
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN B

(Bacillus
subtilis) 		PF02386
(TrkH) 		5 LEU I 323
LEU I 238
GLY I 234
ILE I 241
ALA I 240
 None
 0.89A 3uwlD-5butI:
undetectable		 3uwlD-5butI:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		5 TRP A 103
LEU A 186
LEU A 215
GLY A 216
ASN A 220
 DTT  A 402 ( 4.1A)
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-3.2A)
 1.07A 3uwlD-5by6A:
34.9		 3uwlD-5by6A:
42.57
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.
5cwv NUCLEOPORIN NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 LEU A1526
LEU A1475
GLY A1472
ILE A1468
ALA A1467
 None
 1.03A 3uwlD-5cwvA:
undetectable		 3uwlD-5cwvA:
20.90
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 392
LEU A 504
LEU A 399
ILE A 317
ALA A 364
 None
 1.03A 3uwlD-5gn5A:
undetectable		 3uwlD-5gn5A:
22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 LEU A 216
HIS A 220
GLY A 246
ASN A 250
TYR A 282
 None
UMP  A 402 (-3.9A)
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
UMP  A 402 (-4.5A)
 0.83A 3uwlD-5h3aA:
34.8		 3uwlD-5h3aA:
45.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 TRP A 133
LEU A 216
HIS A 220
GLY A 246
ASN A 250
 None
None
UMP  A 402 (-3.9A)
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.84A 3uwlD-5h3aA:
34.8		 3uwlD-5h3aA:
45.48
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 LEU B1526
LEU B1475
GLY B1472
ILE B1468
ALA B1467
 None
 1.06A 3uwlD-5hb4B:
undetectable		 3uwlD-5hb4B:
10.76
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.
5ixq RECEPTOR-LIKE
PROTEIN KINASE 5

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 LEU A 144
LEU A 208
GLY A 160
PHE A 162
ILE A 155
 None
 1.04A 3uwlD-5ixqA:
undetectable		 3uwlD-5ixqA:
17.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		6 LEU A  55
GLY A 224
PHE A 227
ASN A 228
TYR A 260
ILE A 313
 None
 1.10A 3uwlD-5j7wA:
38.5		 3uwlD-5j7wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		6 LEU A  55
HIS A 198
LEU A 223
GLY A 224
TYR A 260
ILE A 313
 None
 0.83A 3uwlD-5j7wA:
38.5		 3uwlD-5j7wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		6 LEU A  55
LEU A 223
GLY A 224
ASN A 228
TYR A 260
ILE A 313
 None
 0.48A 3uwlD-5j7wA:
38.5		 3uwlD-5j7wA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ku5 SENSOR KINASE CUSS

(Escherichia
coli) 		no annotation 5 LEU A 153
LEU A 127
GLY A 123
ILE A  48
ALA A  44
 None
 1.08A 3uwlD-5ku5A:
undetectable		 3uwlD-5ku5A:
18.81
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 LEU A 172
LEU A 178
GLY A 159
ILE A 220
ALA A 221
 None
 1.09A 3uwlD-5lh9A:
undetectable		 3uwlD-5lh9A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lxg ADIPONECTIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF03006
(HlyIII) 		5 LEU A 214
GLY A 211
PHE A 186
ILE A 250
ALA A 249
 None
 1.07A 3uwlD-5lxgA:
undetectable		 3uwlD-5lxgA:
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.
5mz8 ALDEHYDE
DEHYDROGENASE 21

(Physcomitrella
patens) 		PF00171
(Aldedh) 		5 LEU A 403
LEU A 341
GLY A 371
ILE A 353
ALA A 350
 None
 1.05A 3uwlD-5mz8A:
undetectable		 3uwlD-5mz8A:
18.94
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.
5o30 PUTATIVE
OXIDOREDUCTASE

(Ilumatobacter
coccineus) 		PF13561
(adh_short_C2) 		5 LEU A 132
GLY A 131
ASN A  80
ILE A 175
ALA A 172
 None
 1.07A 3uwlD-5o30A:
undetectable		 3uwlD-5o30A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 LEU A 486
HIS A 490
LEU A 516
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.72A 3uwlD-5t0lA:
37.8		 3uwlD-5t0lA:
25.17
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 LEU A 486
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
ALA A 609
 UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 1.15A 3uwlD-5t0lA:
37.8		 3uwlD-5t0lA:
25.17
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 TRP A 403
LEU A 486
HIS A 490
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.69A 3uwlD-5t0lA:
37.8		 3uwlD-5t0lA:
25.17
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.
5wl7 ENGINEERED CHALCONE
ISOMERASE ANCCHI*

(unidentified) 		no annotation 5 LEU A 190
LEU A 210
GLY A 206
ILE A  57
ALA A  52
 None
 1.10A 3uwlD-5wl7A:
undetectable		 3uwlD-5wl7A:
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.
5xjn CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		5 HIS A 374
LEU A 367
GLY A 370
PHE A 371
ILE A  67
 HEM  A 502 (-3.7A)
None
HEM  A 502 (-2.9A)
None
None
 1.07A 3uwlD-5xjnA:
undetectable		 3uwlD-5xjnA:
21.38
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.
6b8s DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Helicobacter
pylori) 		no annotation 5 LEU A  57
LEU A  79
PHE A  59
ASN A  61
ALA A  66
 None
None
None
None
FMN  A 401 (-3.2A)
 0.92A 3uwlD-6b8sA:
undetectable		 3uwlD-6b8sA:
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 HIS A 147
LEU A 172
GLY A 173
ASN A 177
TYR A 209
 UMP  A 702 (-4.3A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.84A 3uwlD-6cdzA:
37.6		 3uwlD-6cdzA:
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 TRP A  80
LEU A 143
HIS A 147
LEU A 172
GLY A 173
ASN A 177
 None
None
UMP  A 702 (-4.3A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.84A 3uwlD-6cdzA:
37.6		 3uwlD-6cdzA:
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.
6dgi D-ALANINE--D-ALANINE
LIGASE

(Vibrio cholerae) 		no annotation 5 LEU A 311
GLY A 300
PHE A 307
ILE A  27
ALA A  24
 None
 1.06A 3uwlD-6dgiA:
undetectable		 3uwlD-6dgiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 LEU A 424
LEU A 409
GLY A 603
PHE A 600
ILE A 396
 None
 1.03A 3uwlD-6fn1A:
undetectable		 3uwlD-6fn1A:
undetectable