SIMILAR PATTERNS OF AMINO ACIDS FOR 5J7W_C_MTXC402

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
 0.83A 5j7wC-1alqA:
0.0		 5j7wC-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 GLU A  65
ILE A  86
LEU A 170
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.76A 5j7wC-1ci7A:
37.3		 5j7wC-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) 		6 GLU A  65
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.80A 5j7wC-1ci7A:
37.3		 5j7wC-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.
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
 0.84A 5j7wC-1ffvB:
0.8		 5j7wC-1ffvB:
18.71
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) 		5 ASP A 218
LEU A 221
GLY A 222
TYR A 258
ALA A 312
 D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.54A 5j7wC-1hvyA:
39.3		 5j7wC-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 GLU A  87
ILE A 108
LEU A 192
ASP A 218
LEU A 221
GLY A 222
TYR A 258
 D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
 0.67A 5j7wC-1hvyA:
39.3		 5j7wC-1hvyA:
48.77
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.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		5 ILE A 404
ASP A 456
GLY A 469
TYR A 472
ALA A 419
 None
 1.31A 5j7wC-1hxjA:
0.0		 5j7wC-1hxjA:
19.19
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 ASP C 513
LEU C 516
GLY C 517
PHE C 520
TYR C 553
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.45A 5j7wC-1j3jC:
35.7		 5j7wC-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.
1mc8 FLAP ENDONUCLEASE-1

(Pyrococcus
horikoshii) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 GLU A 133
LEU A 139
LEU A  29
ILE A  32
ALA A  31
 None
 0.93A 5j7wC-1mc8A:
0.0		 5j7wC-1mc8A:
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.
1mpt M-PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 LEU A  82
ILE A   8
LEU A 267
GLY A 229
ALA A 223
 None
 1.32A 5j7wC-1mptA:
0.0		 5j7wC-1mptA:
19.33
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.
1scm MYOSIN REGULATORY
LIGHT CHAIN

(Argopecten
irradians) 		PF13405
(EF-hand_6) 		5 LEU B  56
LEU B  47
GLY B  48
ILE B  43
ALA B  42
 None
 1.29A 5j7wC-1scmB:
0.0		 5j7wC-1scmB:
19.54
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.
1u5q SERINE/THREONINE
PROTEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		5 LEU A 164
LEU A 123
GLY A 110
ILE A 157
ALA A 154
 None
 1.04A 5j7wC-1u5qA:
undetectable		 5j7wC-1u5qA:
22.40
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.
1uj4 RIBOSE 5-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF06026
(Rib_5-P_isom_A) 		5 LEU A  39
LEU A  83
ASP A  86
GLY A  29
ILE A 121
 None
 1.17A 5j7wC-1uj4A:
undetectable		 5j7wC-1uj4A:
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.
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
 0.98A 5j7wC-1v59A:
undetectable		 5j7wC-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.
1v5x PHOSPHORIBOSYLANTHRA
NILATE ISOMERASE

(Thermus
thermophilus) 		PF00697
(PRAI) 		5 LEU A 173
ILE A   5
LEU A  49
LEU A  20
GLY A  21
 None
 1.21A 5j7wC-1v5xA:
undetectable		 5j7wC-1v5xA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqw PROLINE
IMINOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00561
(Abhydrolase_1) 		5 LEU A 284
ASP A 244
GLY A 241
PHE A 266
ALA A 105
 None
None
None
None
PHE  A 300 ( 3.0A)
 1.30A 5j7wC-1xqwA:
undetectable		 5j7wC-1xqwA:
23.23
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 GLU A  79
ILE A 100
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.35A 5j7wC-2aazA:
undetectable		 5j7wC-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.
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
 0.93A 5j7wC-2c3oA:
undetectable		 5j7wC-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
 0.78A 5j7wC-2c7bA:
undetectable		 5j7wC-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.
2cbf COBALT-PRECORRIN-4
TRANSMETHYLASE

(Bacillus
megaterium) 		PF00590
(TP_methylase) 		5 LEU A  43
ILE A  26
ASP A 103
GLY A 129
ILE A 126
 None
 1.24A 5j7wC-2cbfA:
undetectable		 5j7wC-2cbfA:
20.12
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.
2d4v ISOCITRATE
DEHYDROGENASE

(Acidithiobacillus
thiooxidans) 		PF00180
(Iso_dh) 		5 LEU A  68
GLU A  67
ASP A  35
LEU A 103
GLY A  34
 None
None
None
NAD  A2001 (-4.9A)
None
 1.30A 5j7wC-2d4vA:
undetectable		 5j7wC-2d4vA:
22.39
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.
2db0 253AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF02985
(HEAT) 		5 LEU A 183
ILE A 186
LEU A 162
LEU A 190
ALA A 199
 None
 1.16A 5j7wC-2db0A:
undetectable		 5j7wC-2db0A:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 334
ILE A 331
LEU A  12
ILE A 312
ALA A 146
 None
None
None
None
FAD  A8482 (-4.7A)
 1.09A 5j7wC-2eq9A:
undetectable		 5j7wC-2eq9A:
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.
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
 0.99A 5j7wC-2gcdA:
undetectable		 5j7wC-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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		5 LEU A 273
ILE A 270
GLY A 265
ILE A 216
ALA A 215
 None
 1.16A 5j7wC-2gu0A:
undetectable		 5j7wC-2gu0A:
21.48
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 295
ILE A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.69A 5j7wC-2h2qA:
34.0		 5j7wC-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.
2hh6 BH3980 PROTEIN

(Bacillus
halodurans) 		PF06304
(DUF1048) 		5 LEU A  90
ILE A  61
LEU A  78
PHE A  86
ALA A  69
 None
 1.30A 5j7wC-2hh6A:
undetectable		 5j7wC-2hh6A:
16.56
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 ILE A 230
LEU A  13
ASP A 411
LEU A 328
GLY A 408
 None
 1.09A 5j7wC-2ijzA:
undetectable		 5j7wC-2ijzA:
22.43
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.
2k6v PUTATIVE CYTOCHROME
C OXIDASE ASSEMBLY
PROTEIN

(Thermus
thermophilus) 		PF02630
(SCO1-SenC) 		5 LEU A  21
GLY A  43
PHE A  41
TYR A 122
ALA A 115
 None
 1.30A 5j7wC-2k6vA:
undetectable		 5j7wC-2k6vA:
20.57
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 GLU A 294
ILE A 315
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.50A 5j7wC-2oipA:
38.7		 5j7wC-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) 		5 ILE A 263
LEU A 275
PHE A  39
ILE A 261
ALA A 304
 None
 1.26A 5j7wC-2phlA:
undetectable		 5j7wC-2phlA:
20.64
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.
2pt7 HYPOTHETICAL PROTEIN

(Helicobacter
pylori) 		no annotation 5 LEU G 188
LEU G 227
GLY G 225
ILE G 230
ALA G 231
 None
 1.21A 5j7wC-2pt7G:
undetectable		 5j7wC-2pt7G:
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.
2r8a LONG-CHAIN FATTY
ACID TRANSPORT
PROTEIN

(Escherichia
coli) 		PF03349
(Toluene_X) 		5 GLU A 399
ILE A 359
GLY A 119
ILE A  73
ALA A  74
 None
None
None
None
C8E  A 504 (-3.6A)
 1.31A 5j7wC-2r8aA:
undetectable		 5j7wC-2r8aA:
19.86
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) 		5 ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.55A 5j7wC-2tddA:
42.7		 5j7wC-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
GLU A  60
ILE A  81
LEU A 195
GLY A 225
PHE A 228
 None
None
THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.80A 5j7wC-2tddA:
42.7		 5j7wC-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
GLU A  60
LEU A 195
ASP A 221
GLY A 225
PHE A 228
 None
None
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.72A 5j7wC-2tddA:
42.7		 5j7wC-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) 		5 LEU A 195
ASP A 221
LEU A 224
GLY A 225
PHE A 228
 THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.67A 5j7wC-2tddA:
42.7		 5j7wC-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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 LEU A   4
GLU A 237
ILE A 230
ILE A 220
ALA A  19
 None
 1.15A 5j7wC-2wqdA:
2.1		 5j7wC-2wqdA:
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.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		5 ILE A 100
LEU A  18
GLY A 191
PHE A 189
ILE A  58
 None
 1.06A 5j7wC-3atyA:
undetectable		 5j7wC-3atyA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bo7 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN-TYPE

(Toxoplasma
gondii) 		PF00160
(Pro_isomerase) 		5 LEU A 105
ILE A 121
LEU A 143
GLY A 142
ILE A 102
 None
 1.30A 5j7wC-3bo7A:
undetectable		 5j7wC-3bo7A:
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.
3bwt PROTEIN PUF4

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 LEU A 620
LEU A 571
GLY A 577
PHE A 580
ILE A 568
 None
 1.13A 5j7wC-3bwtA:
undetectable		 5j7wC-3bwtA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3din PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Thermotoga
maritima) 		PF00344
(SecY) 		5 LEU C 174
ILE C 187
PHE C  28
ILE C 189
ALA C 398
 None
 1.31A 5j7wC-3dinC:
undetectable		 5j7wC-3dinC:
20.18
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.
3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2

(Trypanosoma
brucei) 		PF01704
(UDPGP) 		5 LEU A 312
ILE A 307
LEU A 230
PHE A 358
ILE A 305
 None
 1.07A 5j7wC-3gueA:
undetectable		 5j7wC-3gueA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 5j7wC-3i16A:
undetectable		 5j7wC-3i16A:
21.57
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.
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
 0.89A 5j7wC-3i3wA:
undetectable		 5j7wC-3i3wA:
21.98
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 ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.48A 5j7wC-3ix6A:
35.1		 5j7wC-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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 GLU A 285
ILE A 306
LEU A 390
ASP A 416
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
None
None
None
None
None
None
 0.50A 5j7wC-3kjrA:
39.2		 5j7wC-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.
3mq4 METABOTROPIC
GLUTAMATE RECEPTOR 7

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A  51
LEU A 449
GLY A 445
ILE A 452
ALA A 421
 None
 1.29A 5j7wC-3mq4A:
undetectable		 5j7wC-3mq4A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nrb FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Pseudomonas
putida) 		PF00551
(Formyl_trans_N)
PF01842
(ACT) 		5 ILE A 190
LEU A 177
GLY A 187
PHE A 223
ILE A 168
 None
 1.09A 5j7wC-3nrbA:
undetectable		 5j7wC-3nrbA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvn PLEXIN-C1

(Homo sapiens) 		PF01437
(PSI) 		5 GLU B 135
LEU B 177
GLY B 132
TYR B 183
ALA B 181
 None
 1.31A 5j7wC-3nvnB:
undetectable		 5j7wC-3nvnB:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLU A 625
TRP A 654
GLY A 570
ILE A 590
ALA A 591
 None
 1.13A 5j7wC-3rimA:
undetectable		 5j7wC-3rimA:
18.63
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.
3tc1 OCTAPRENYL
PYROPHOSPHATE
SYNTHASE

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		5 LEU A  42
LEU A  56
LEU A   6
ILE A   9
ALA A   8
 None
 1.30A 5j7wC-3tc1A:
undetectable		 5j7wC-3tc1A:
24.05
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.
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 ILE A 466
TRP A 453
LEU A 428
GLY A 468
ILE A 303
 None
 1.20A 5j7wC-3u4jA:
undetectable		 5j7wC-3u4jA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.45A 5j7wC-3um6A:
35.8		 5j7wC-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 GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.56A 5j7wC-3v8hA:
33.9		 5j7wC-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.
3vc7 PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 LEU A 205
ILE A 209
LEU A 250
GLY A 182
PHE A 183
 None
None
None
GOL  A 301 ( 4.7A)
GOL  A 301 (-4.0A)
 1.09A 5j7wC-3vc7A:
undetectable		 5j7wC-3vc7A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vzx HEPTAPRENYLGLYCERYL
PHOSPHATE SYNTHASE

(Bacillus
subtilis) 		PF01884
(PcrB) 		5 GLU A 160
LEU A 165
GLY A 208
ILE A 205
ALA A 195
 None
 0.80A 5j7wC-3vzxA:
undetectable		 5j7wC-3vzxA:
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.
3w1h L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 LEU A 328
GLU A 325
ILE A 123
LEU A 107
ILE A 316
 None
 1.22A 5j7wC-3w1hA:
undetectable		 5j7wC-3w1hA:
20.67
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.
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 5j7wC-3wjoA:
undetectable		 5j7wC-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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A 881
LEU A 741
GLY A 918
PHE A 919
ALA A 925
 None
 1.18A 5j7wC-3zyvA:
undetectable		 5j7wC-3zyvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU B  84
ILE B 376
GLY B 379
ILE B 337
ALA B 360
 None
None
IMP  B1527 (-3.5A)
None
None
 1.34A 5j7wC-4af0B:
undetectable		 5j7wC-4af0B:
21.42
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 LEU A 269
LEU A 228
GLY A 227
ILE A 253
ALA A 304
 None
 1.33A 5j7wC-4az7A:
undetectable		 5j7wC-4az7A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 LEU A 714
LEU A 673
GLY A 672
ILE A 698
ALA A 749
 None
 1.32A 5j7wC-4azcA:
undetectable		 5j7wC-4azcA:
21.71
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) 		5 LEU A  59
ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.40A 5j7wC-4dq1A:
39.1		 5j7wC-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
GLU A  63
LEU A 198
LEU A 227
GLY A 228
TYR A 264
 None
None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.66A 5j7wC-4dq1A:
39.1		 5j7wC-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) 		5 LEU A  59
LEU A 198
GLY A 228
PHE A 231
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 1.26A 5j7wC-4dq1A:
39.1		 5j7wC-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 GLU A  58
ILE A  79
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.49A 5j7wC-4fogA:
39.9		 5j7wC-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) 		5 ASP A 172
LEU A 175
GLY A 176
PHE A 179
TYR A 212
 None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.42A 5j7wC-4h0uA:
37.8		 5j7wC-4h0uA:
52.37
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.
4imm OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Moraxella
catarrhalis) 		PF13360
(PQQ_2) 		5 LEU A 319
LEU A 325
GLY A 301
ILE A 340
ALA A 341
 None
None
NA  A 402 (-3.3A)
None
None
 1.12A 5j7wC-4immA:
undetectable		 5j7wC-4immA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0t U4/U6
SNRNA-ASSOCIATED-SPL
ICING FACTOR PRP24

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1)
PF16842
(RRM_occluded) 		5 LEU A 301
ILE A 356
LEU A 372
GLY A 354
ILE A 346
 None
 1.21A 5j7wC-4n0tA:
undetectable		 5j7wC-4n0tA:
20.97
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.
4nbt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Acholeplasma
laidlawii) 		PF13561
(adh_short_C2) 		5 LEU A 186
LEU A  18
GLY A  17
ILE A 212
ALA A 213
 None
NAD  A 301 (-3.3A)
NAD  A 301 (-3.4A)
None
None
 1.29A 5j7wC-4nbtA:
undetectable		 5j7wC-4nbtA:
23.05
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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 LEU A 435
ILE A 444
LEU A 463
GLY A 464
ILE A 446
 None
 1.07A 5j7wC-4nnbA:
undetectable		 5j7wC-4nnbA:
22.56
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.
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
 1.08A 5j7wC-4ofwA:
undetectable		 5j7wC-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
 1.09A 5j7wC-4p9nA:
undetectable		 5j7wC-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.
4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU

(Pseudomonas
fluorescens) 		PF01734
(Patatin) 		5 LEU A 158
ILE A 264
LEU A 172
PHE A 248
ALA A  93
 None
 1.04A 5j7wC-4qmkA:
undetectable		 5j7wC-4qmkA:
18.36
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.
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
 1.03A 5j7wC-4qnwA:
undetectable		 5j7wC-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.
4s3k SPORE GERMINATION
PROTEIN YAAH

(Bacillus
megaterium) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		5 ILE A 396
GLY A 104
PHE A 424
TYR A 134
ILE A 318
 None
 1.31A 5j7wC-4s3kA:
undetectable		 5j7wC-4s3kA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 570
LEU A 533
LEU A 563
GLY A 560
ILE A 526
 None
 1.24A 5j7wC-4tz0A:
undetectable		 5j7wC-4tz0A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wt3 RUBISCO ACCUMULATION
FACTOR 1, ISOFORM 2

(Arabidopsis
thaliana) 		no annotation 5 LEU A 151
ILE A 182
LEU A 162
GLY A 159
PHE A 155
 None
 1.31A 5j7wC-4wt3A:
undetectable		 5j7wC-4wt3A:
20.32
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.
4xci THERMOSOME SUBUNIT
ALPHA

(Sulfolobus
solfataricus) 		PF00118
(Cpn60_TCP1) 		5 LEU A 132
LEU A 413
GLY A 139
ILE A 419
ALA A 418
 None
 1.29A 5j7wC-4xciA:
undetectable		 5j7wC-4xciA:
20.07
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 LEU A 213
ILE A 252
LEU A 268
GLY A 267
ILE A 270
 None
 1.25A 5j7wC-4xmvA:
2.2		 5j7wC-4xmvA:
18.01
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) 		5 GLU A  75
ILE A  96
LEU A 180
LEU A 209
GLY A 210
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
 0.60A 5j7wC-4xscA:
36.5		 5j7wC-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
 1.09A 5j7wC-4xuvA:
undetectable		 5j7wC-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.
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
 0.96A 5j7wC-4zoqI:
undetectable		 5j7wC-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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 LEU A 244
GLU A 242
ILE A 245
ASP A 264
PHE A 241
 None
 1.33A 5j7wC-5ao0A:
undetectable		 5j7wC-5ao0A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 LEU A 388
LEU A 192
LEU A 394
GLY A 393
ALA A 154
 OLA  A1204 (-3.7A)
OLA  A1207 ( 4.5A)
OLA  A1204 ( 4.3A)
None
None
 1.32A 5j7wC-5ee7A:
undetectable		 5j7wC-5ee7A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.96A 5j7wC-5epdA:
undetectable		 5j7wC-5epdA:
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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfohalobium
retbaense) 		PF13458
(Peripla_BP_6) 		5 ILE A 518
GLY A 494
PHE A 493
ILE A 526
ALA A 523
 None
ACY  A 603 (-3.7A)
ACY  A 603 (-4.6A)
None
None
 1.19A 5j7wC-5ereA:
undetectable		 5j7wC-5ereA:
18.88
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.
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
 1.01A 5j7wC-5gn5A:
undetectable		 5j7wC-5gn5A:
22.32
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.
5m09 SERINE/THREONINE-PRO
TEIN KINASE PKNI

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		5 LEU A  40
LEU A  43
GLY A  24
ILE A 162
ALA A 163
 None
 1.19A 5j7wC-5m09A:
undetectable		 5j7wC-5m09A:
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 LEU B 556
LEU B 566
LEU B 538
GLY B 507
ILE B 520
 None
 1.35A 5j7wC-5my0B:
undetectable		 5j7wC-5my0B:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 GLU A 381
ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.68A 5j7wC-5t0lA:
38.6		 5j7wC-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) 		5 ILE A 402
LEU A 486
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 1.08A 5j7wC-5t0lA:
38.6		 5j7wC-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.
5vlq LOC100158544 PROTEIN

(Xenopus
tropicalis) 		PF03133
(TTL) 		5 LEU A 393
ILE A 548
ASP A 559
GLY A 561
PHE A 563
 None
 1.25A 5j7wC-5vlqA:
undetectable		 5j7wC-5vlqA:
19.83
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.
5y9w POLLEN RECEPTOR-LIKE
KINASE 6

(Arabidopsis
thaliana) 		no annotation 5 LEU B 112
ILE B 135
LEU B 180
GLY B 158
ILE B 160
 None
 1.12A 5j7wC-5y9wB:
undetectable		 5j7wC-5y9wB:
11.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yrp SENSORY BOX/RESPONSE
REGULATOR

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 450
LEU A 420
GLY A 416
ILE A 443
ALA A 385
 None
 1.26A 5j7wC-5yrpA:
undetectable		 5j7wC-5yrpA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aq3 TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 3

(Naegleria
fowleri) 		PF04051
(TRAPP) 		5 LEU A 147
ILE A 143
GLY A  52
TYR A  27
ILE A 139
 None
None
None
PLM  A 201 ( 4.5A)
PLM  A 201 ( 4.2A)
 1.19A 5j7wC-6aq3A:
undetectable		 5j7wC-6aq3A:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 GLU A  58
ILE A  79
LEU A 143
LEU A 172
GLY A 173
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
 0.89A 5j7wC-6cdzA:
39.4		 5j7wC-6cdzA:
61.73