SIMILAR PATTERNS OF AMINO ACIDS FOR 3UWL_B_FOZB316_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 ILE A  75
GLY A 187
PHE A 186
ILE A 194
ALA A 195
 None
 0.88A 3uwlB-1alqA:
0.0		 3uwlB-1alqA:
20.42
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) 		6 ILE A  86
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
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)
 1.01A 3uwlB-1ci7A:
37.4		 3uwlB-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) 		8 ILE A  86
TRP A  87
LEU A 170
HIS A 174
LEU A 205
GLY A 206
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
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)
 0.81A 3uwlB-1ci7A:
37.4		 3uwlB-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)
 1.04A 3uwlB-1f76A:
0.0		 3uwlB-1f76A:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 622
LEU B 538
GLY B 539
ILE B 507
ALA B 513
 None
 0.89A 3uwlB-1ffvB:
0.8		 3uwlB-1ffvB:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hg8 ENDOPOLYGALACTURONAS
E

(Fusarium
verticillioides) 		PF00295
(Glyco_hydro_28) 		5 LEU A  58
ILE A  88
GLY A 107
PHE A  77
ILE A 146
 None
 0.98A 3uwlB-1hg8A:
0.0		 3uwlB-1hg8A:
20.53
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 ILE A 108
LEU A 192
GLY A 222
PHE A 225
ASN A 226
TYR A 258
 D16  A 414 (-3.7A)
None
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
 1.08A 3uwlB-1hvyA:
39.5		 3uwlB-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) 		7 ILE A 108
LEU A 192
LEU A 221
GLY A 222
ASN A 226
TYR A 258
ALA A 312
 D16  A 414 (-3.7A)
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)
 0.89A 3uwlB-1hvyA:
39.5		 3uwlB-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) 		7 ILE A 108
TRP A 109
LEU A 192
GLY A 222
ASN A 226
TYR A 258
ALA A 312
 D16  A 414 (-3.7A)
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 3uwlB-1hvyA:
39.5		 3uwlB-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 ILE A 108
TRP A 109
LEU A 192
HIS A 196
TYR A 258
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
UMP  A 314 (-3.9A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 1.09A 3uwlB-1hvyA:
39.5		 3uwlB-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) 		6 HIS C 491
LEU C 516
GLY C 517
PHE C 520
ASN C 521
TYR C 553
 UMP  C 611 (-4.2A)
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-2.8A)
UMP  C 611 (-4.9A)
 0.74A 3uwlB-1j3jC:
35.9		 3uwlB-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.
1l7v VITAMIN B12
TRANSPORT
ATP-BINDING PROTEIN
BTUD

(Escherichia
coli) 		PF00005
(ABC_tran) 		5 LEU C  71
HIS C  99
GLY C 152
ASN C 149
ALA C  59
 None
 1.04A 3uwlB-1l7vC:
undetectable		 3uwlB-1l7vC:
23.31
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.
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
 0.94A 3uwlB-1pieA:
0.0		 3uwlB-1pieA:
21.36
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.
1pio BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 ILE A  75
GLY A 187
PHE A 186
ILE A 194
ALA A 195
 None
 0.98A 3uwlB-1pioA:
undetectable		 3uwlB-1pioA:
22.94
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
 0.72A 3uwlB-1tisA:
30.4		 3uwlB-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.
1tul TLP20

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF06088
(TLP-20) 		5 LEU A  72
ILE A  86
GLY A  41
PHE A  88
ASN A  89
 None
 1.01A 3uwlB-1tulA:
undetectable		 3uwlB-1tulA:
15.24
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.
1u3b AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING,
FAMILY A, MEMBER 1

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A 201
LEU A  81
LEU A  93
GLY A  92
ILE A  73
 None
 1.02A 3uwlB-1u3bA:
undetectable		 3uwlB-1u3bA:
17.24
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.
1v59 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 105
ILE A  22
GLY A  17
ILE A 341
ALA A 342
 None
 1.00A 3uwlB-1v59A:
undetectable		 3uwlB-1v59A:
21.29
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.
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
 1.04A 3uwlB-1w8oA:
undetectable		 3uwlB-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
 1.03A 3uwlB-1werA:
undetectable		 3uwlB-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) 		9 ILE A 100
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 (-3.6A)
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)
 0.46A 3uwlB-2aazA:
undetectable		 3uwlB-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.
2ah5 COG0546: PREDICTED
PHOSPHATASES

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		5 LEU A  96
ILE A   7
LEU A 147
PHE A   9
ALA A 170
 None
 0.98A 3uwlB-2ah5A:
undetectable		 3uwlB-2ah5A:
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.
2btu PHOSPHORIBOSYL-AMINO
IMIDAZOLE SYNTHETASE

(Bacillus
anthracis) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE A 123
LEU A  68
GLY A 155
ILE A 106
ALA A 107
 None
 1.02A 3uwlB-2btuA:
undetectable		 3uwlB-2btuA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 ILE A 559
LEU A 512
LEU A 425
GLY A 424
ALA A 493
 None
 0.97A 3uwlB-2c3oA:
undetectable		 3uwlB-2c3oA:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 LEU A  26
LEU A  37
GLY A  82
PHE A  86
TYR A 182
 None
 0.70A 3uwlB-2c7bA:
undetectable		 3uwlB-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.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		6 LEU A 227
ILE A 425
GLY A 421
ASN A 204
ILE A 251
ALA A 252
 None
 1.40A 3uwlB-2e0wA:
undetectable		 3uwlB-2e0wA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli;
Escherichia
coli) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		6 LEU A 227
ILE B 425
GLY B 421
ASN A 204
ILE A 251
ALA A 252
 None
 1.37A 3uwlB-2e0xA:
undetectable		 3uwlB-2e0xA:
23.10
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 LEU A1119
ILE A1087
LEU A1073
GLY A1074
PHE A1089
 None
 1.02A 3uwlB-2eyqA:
undetectable		 3uwlB-2eyqA:
14.16
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 316
TRP A 317
GLY A 430
PHE A 433
ASN A 434
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-3.0A)
DU  A 611 (-4.6A)
 1.08A 3uwlB-2h2qA:
34.1		 3uwlB-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) 		7 ILE A 316
TRP A 317
HIS A 404
LEU A 429
GLY A 430
ASN A 434
TYR A 466
 None
None
DU  A 611 (-4.2A)
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
DU  A 611 (-4.6A)
 0.77A 3uwlB-2h2qA:
34.1		 3uwlB-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 ILE A 316
TRP A 317
LEU A 400
GLY A 430
PHE A 433
ASN A 434
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-3.0A)
 1.13A 3uwlB-2h2qA:
34.1		 3uwlB-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) 		7 ILE A 316
TRP A 317
LEU A 400
HIS A 404
LEU A 429
GLY A 430
ASN A 434
 None
None
None
DU  A 611 (-4.2A)
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.85A 3uwlB-2h2qA:
34.1		 3uwlB-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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 ILE A 315
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 ( 3.7A)
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)
 0.57A 3uwlB-2oipA:
39.0		 3uwlB-2oipA:
27.65
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.
2phl PHASEOLIN

(Phaseolus
vulgaris) 		PF00190
(Cupin_1) 		6 LEU A  54
ILE A 263
LEU A 275
PHE A  39
ILE A 261
ALA A 304
 None
 1.36A 3uwlB-2phlA:
undetectable		 3uwlB-2phlA:
20.64
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
HIS A 199
LEU A 224
GLY A 225
PHE A 228
ASN A 229
TYR A 261
 None
None
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)
 0.79A 3uwlB-2tddA:
43.0		 3uwlB-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) 		6 LEU A  56
ILE A  81
HIS A 199
GLY A 225
PHE A 228
ASN A 229
 None
THF  A 568 ( 4.8A)
None
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.82A 3uwlB-2tddA:
43.0		 3uwlB-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
ILE A  81
TRP A  82
LEU A 195
GLY A 225
PHE A 228
ASN A 229
 None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.90A 3uwlB-2tddA:
43.0		 3uwlB-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)
 0.89A 3uwlB-2tddA:
43.0		 3uwlB-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.
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
 0.98A 3uwlB-2yn9A:
undetectable		 3uwlB-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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A  98
ILE A  18
GLY A  13
ILE A 318
ALA A 319
 None
 1.03A 3uwlB-2yquA:
undetectable		 3uwlB-2yquA:
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.
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 3uwlB-2zbwA:
undetectable		 3uwlB-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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		5 LEU A 250
ILE A 313
LEU A 269
GLY A 268
ALA A 305
 None
 0.87A 3uwlB-2zukA:
undetectable		 3uwlB-2zukA:
21.31
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 5 LEU A 403
LEU A 586
GLY A 587
ILE A 367
ALA A 368
 None
 0.95A 3uwlB-2zuxA:
undetectable		 3uwlB-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
 1.00A 3uwlB-3bkxA:
undetectable		 3uwlB-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.
3c0k UPF0064 PROTEIN YCCW

(Escherichia
coli) 		PF10672
(Methyltrans_SAM) 		5 LEU A 126
ILE A 117
HIS A 376
LEU A 112
GLY A 107
 None
 0.99A 3uwlB-3c0kA:
undetectable		 3uwlB-3c0kA:
22.64
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.
3e6e ALANINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  13
GLY A  43
ASN A  42
ILE A  18
ALA A  55
 None
 0.82A 3uwlB-3e6eA:
undetectable		 3uwlB-3e6eA:
22.75
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.
3fxa SIS DOMAIN PROTEIN

(Listeria
monocytogenes) 		PF01380
(SIS) 		5 LEU A 173
ILE A  40
LEU A  62
ASN A  67
ILE A  96
 None
 1.02A 3uwlB-3fxaA:
undetectable		 3uwlB-3fxaA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 3uwlB-3gnlA:
undetectable		 3uwlB-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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		6 LEU A 223
ILE A 222
LEU A 274
LEU A 176
ILE A 246
ALA A 247
 LEU  A 223 ( 0.5A)
ILE  A 222 ( 0.6A)
LEU  A 274 ( 0.6A)
LEU  A 176 ( 0.6A)
ILE  A 246 ( 0.7A)
ALA  A 247 ( 0.0A)
 1.41A 3uwlB-3gnrA:
undetectable		 3uwlB-3gnrA:
20.66
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.
3i3w PHOSPHOGLUCOSAMINE
MUTASE

(Francisella
tularensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 309
ILE A 328
GLY A 279
TYR A 291
ALA A 265
 None
 0.93A 3uwlB-3i3wA:
undetectable		 3uwlB-3i3wA:
21.98
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.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A 309
ILE A 286
GLY A 143
PHE A 120
ILE A 288
 None
 0.94A 3uwlB-3il4A:
undetectable		 3uwlB-3il4A:
22.34
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) 		6 HIS A 147
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 None
 0.70A 3uwlB-3ix6A:
35.2		 3uwlB-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) 		6 LEU A 143
HIS A 147
LEU A 172
GLY A 173
PHE A 176
ASN A 177
 None
 0.89A 3uwlB-3ix6A:
35.2		 3uwlB-3ix6A:
41.46
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.
3j1e CHAPERONIN BETA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 LEU A 473
ILE A 423
LEU A 451
ILE A 425
ALA A 142
 None
 1.03A 3uwlB-3j1eA:
undetectable		 3uwlB-3j1eA:
20.57
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
 0.49A 3uwlB-3kgbA:
33.7		 3uwlB-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) 		9 ILE A 306
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 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
None
None
 0.60A 3uwlB-3kjrA:
39.4		 3uwlB-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.
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
 0.96A 3uwlB-3nawA:
undetectable		 3uwlB-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.
3ntx CYTOPLASMIC
L-ASPARAGINASE I

(Yersinia pestis) 		PF00710
(Asparaginase) 		5 LEU A 138
ILE A 113
LEU A 101
GLY A  84
ALA A   9
 None
 1.02A 3uwlB-3ntxA:
undetectable		 3uwlB-3ntxA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3uwlB-3nwrA:
undetectable		 3uwlB-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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		6 LEU A 435
ILE A 270
LEU A 292
GLY A 272
ILE A 269
ALA A 280
 FAD  A 690 (-4.6A)
FAD  A 690 (-4.6A)
None
FAD  A 690 (-3.6A)
None
None
 1.48A 3uwlB-3pvcA:
undetectable		 3uwlB-3pvcA:
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.
3qz3 FERRITIN

(Vibrio cholerae) 		PF00210
(Ferritin) 		5 ILE A 143
LEU A  89
GLY A  90
ILE A 160
ALA A 156
 None
 0.86A 3uwlB-3qz3A:
undetectable		 3uwlB-3qz3A:
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.
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
 0.96A 3uwlB-3redA:
undetectable		 3uwlB-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
 0.96A 3uwlB-3rmuA:
undetectable		 3uwlB-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.
3tr1 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Coxiella
burnetii) 		PF00275
(EPSP_synthase) 		6 LEU A 421
ILE A  15
LEU A  11
GLY A 426
ILE A 252
ALA A 251
 None
 1.33A 3uwlB-3tr1A:
undetectable		 3uwlB-3tr1A:
21.22
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 HIS A 491
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 UMP  A 611 (-3.6A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.69A 3uwlB-3um6A:
36.0		 3uwlB-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) 		6 LEU A 487
HIS A 491
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 None
UMP  A 611 (-3.6A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 0.97A 3uwlB-3um6A:
36.0		 3uwlB-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) 		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)
 0.79A 3uwlB-3v8hA:
34.0		 3uwlB-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.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		6 LEU A 192
ILE A 210
LEU A 173
GLY A  14
ASN A 199
ALA A  54
 None
 1.31A 3uwlB-4a0mA:
undetectable		 3uwlB-4a0mA:
18.55
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.
4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL

(Homo sapiens) 		PF07992
(Pyr_redox_2)
PF14721
(AIF_C) 		5 LEU A 315
ILE A 305
GLY A 308
ASN A 339
ILE A 306
 None
 0.95A 3uwlB-4bv6A:
undetectable		 3uwlB-4bv6A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 3uwlB-4cijA:
undetectable		 3uwlB-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)
 1.26A 3uwlB-4dq1A:
39.4		 3uwlB-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) 		7 LEU A  59
LEU A 198
HIS A 202
LEU A 227
GLY A 228
ASN A 232
TYR A 264
 None
None
UMP  A 501 (-4.0A)
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.83A 3uwlB-4dq1A:
39.4		 3uwlB-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 ILE A  79
TRP A  80
LEU A 143
HIS A 147
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
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)
 0.55A 3uwlB-4fogA:
40.1		 3uwlB-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)
 0.50A 3uwlB-4h0uA:
38.0		 3uwlB-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 ILE A  82
TRP A  83
LEU A 146
HIS A 150
GLY A 176
ASN A 180
 None
None
None
UMP  A 301 (-4.2A)
UMP  A 301 (-3.6A)
UMP  A 301 (-3.0A)
 0.73A 3uwlB-4h0uA:
38.0		 3uwlB-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)
 0.54A 3uwlB-4h0uA:
38.0		 3uwlB-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)
 0.71A 3uwlB-4h0uA:
38.0		 3uwlB-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) 		6 ILE A 110
HIS A 198
LEU A 223
GLY A 224
ASN A 228
TYR A 260
 D16  A 402 (-4.0A)
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)
 0.74A 3uwlB-4iqqA:
35.8		 3uwlB-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 ILE A 110
LEU A 223
GLY A 224
PHE A 227
ASN A 228
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
UMP  A 401 (-3.3A)
D16  A 402 ( 4.2A)
 1.07A 3uwlB-4iqqA:
35.8		 3uwlB-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) 		7 ILE A 110
TRP A 111
LEU A 194
HIS A 198
LEU A 223
GLY A 224
ASN A 228
 D16  A 402 (-4.0A)
None
None
UMP  A 401 ( 4.7A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.77A 3uwlB-4iqqA:
35.8		 3uwlB-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.
4ls3 NICKEL (III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDIN GPROTEIN

(Helicobacter
pylori) 		PF01497
(Peripla_BP_2) 		6 LEU A 279
ILE A 292
LEU A 208
GLY A 285
ILE A 148
ALA A 149
 None
 1.39A 3uwlB-4ls3A:
undetectable		 3uwlB-4ls3A:
23.22
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.
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
 1.03A 3uwlB-4ofwA:
undetectable		 3uwlB-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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		5 LEU A 260
ILE A 331
GLY A 357
PHE A 358
ASN A 355
 None
 1.01A 3uwlB-4q6tA:
undetectable		 3uwlB-4q6tA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		5 ILE A 103
LEU A  21
GLY A 169
PHE A 167
ILE A  61
 None
 1.02A 3uwlB-4qnwA:
undetectable		 3uwlB-4qnwA:
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.
4rnh MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 LEU A1065
LEU A1015
PHE A1061
ILE A1085
ALA A1082
 None
 1.04A 3uwlB-4rnhA:
undetectable		 3uwlB-4rnhA:
21.17
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.
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
 0.95A 3uwlB-4woeA:
undetectable		 3uwlB-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 ILE A  96
LEU A 180
GLY A 210
PHE A 213
ASN A 214
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 1.26A 3uwlB-4xscA:
36.6		 3uwlB-4xscA:
41.81
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) 		7 ILE A  96
LEU A 180
HIS A 184
LEU A 209
GLY A 210
ASN A 214
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-4.7A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 1.23A 3uwlB-4xscA:
36.6		 3uwlB-4xscA:
41.81
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) 		7 ILE A  96
TRP A  97
LEU A 180
LEU A 209
GLY A 210
ASN A 214
TYR A 246
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 0.78A 3uwlB-4xscA:
36.6		 3uwlB-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.
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
 1.02A 3uwlB-4y81L:
undetectable		 3uwlB-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.
4zhs ASPARTATE
SEMIALDEHYDE
DEHYDROGENASE

(Trichophyton
rubrum) 		no annotation 5 LEU D 257
ILE D 173
GLY D 171
PHE D 259
ASN D 261
 None
 1.03A 3uwlB-4zhsD:
undetectable		 3uwlB-4zhsD:
23.10
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.
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
 0.94A 3uwlB-4zoqI:
undetectable		 3uwlB-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.
5bqs 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Streptococcus
pneumoniae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A 308
ILE A 285
GLY A 138
PHE A 115
ILE A 287
 None
 0.94A 3uwlB-5bqsA:
undetectable		 3uwlB-5bqsA:
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.
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
 0.91A 3uwlB-5butI:
undetectable		 3uwlB-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 HIS A 190
LEU A 215
GLY A 216
ASN A 220
TYR A 252
 UMP  A 401 (-3.6A)
None
UMP  A 401 (-3.5A)
UMP  A 401 (-3.2A)
UMP  A 401 (-4.6A)
 0.64A 3uwlB-5by6A:
35.8		 3uwlB-5by6A:
42.57
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) 		6 ILE A 102
TRP A 103
LEU A 186
HIS A 190
GLY A 216
ASN A 220
 DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
UMP  A 401 (-3.6A)
UMP  A 401 (-3.5A)
UMP  A 401 (-3.2A)
 1.16A 3uwlB-5by6A:
35.8		 3uwlB-5by6A:
42.57
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 LEU A 186
HIS A 190
LEU A 215
GLY A 216
ASN A 220
 None
UMP  A 401 (-3.6A)
None
UMP  A 401 (-3.5A)
UMP  A 401 (-3.2A)
 1.05A 3uwlB-5by6A:
35.8		 3uwlB-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
 1.05A 3uwlB-5cwvA:
undetectable		 3uwlB-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.
5eco GLUTATHIONE
S-TRANSFERASE U20

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 ILE B 158
LEU B 135
GLY B 151
PHE B 150
ALA B  99
 None
 1.04A 3uwlB-5ecoB:
undetectable		 3uwlB-5ecoB:
20.37
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.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 ILE A  97
LEU A  17
GLY A 172
PHE A 170
ILE A  55
 None
 1.00A 3uwlB-5epdA:
undetectable		 3uwlB-5epdA:
21.07