SIMILAR PATTERNS OF AMINO ACIDS FOR 6R2E_A_FFOA403

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) 		10 PHE A  58
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
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)
CB3  A 768 (-3.8A)
 1.05A 6r2eA-1ci7A:
43.6		 6r2eA-1ci7A:
55.56
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) 		10 PHE A  58
ILE A  86
ASN A  90
LEU A 170
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
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)
CB3  A 768 (-3.8A)
 1.03A 6r2eA-1ci7A:
43.6		 6r2eA-1ci7A:
55.56
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) 		10 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
LEU A 205
GLY A 206
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.84A 6r2eA-1ci7A:
43.6		 6r2eA-1ci7A:
55.56
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) 		10 PHE A  58
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.86A 6r2eA-1ci7A:
43.6		 6r2eA-1ci7A:
55.56
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.
1fnz BARK AGGLUTININ I,
POLYPEPTIDE A

(Robinia
pseudoacacia) 		PF00139
(Lectin_legB) 		5 ILE A 121
LEU A  51
LEU A 101
GLY A 108
PHE A 110
 None
 1.13A 6r2eA-1fnzA:
0.0		 6r2eA-1fnzA:
22.09
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.
1h4r MERLIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 ASN A 220
LEU A 299
LEU A  97
GLY A  63
PHE A  62
 None
 1.28A 6r2eA-1h4rA:
0.0		 6r2eA-1h4rA:
23.16
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) 		10 PHE A  80
ILE A 108
ASN A 112
LEU A 192
ASP A 218
LEU A 221
GLY A 222
PHE A 225
ASN A 226
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
D16  A 414 ( 3.6A)
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)
 0.88A 6r2eA-1hvyA:
47.3		 6r2eA-1hvyA:
99.65
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) 		9 PHE A  80
ILE A 108
LEU A 192
ASP A 218
GLY A 222
PHE A 225
ASN A 226
TYR A 258
MET A 311
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.4A)
 0.97A 6r2eA-1hvyA:
47.3		 6r2eA-1hvyA:
99.65
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) 		10 PHE A  80
ILE A 108
TRP A 109
ASN A 112
LEU A 192
ASP A 218
LEU A 221
GLY A 222
ASN A 226
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
 0.69A 6r2eA-1hvyA:
47.3		 6r2eA-1hvyA:
99.65
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) 		9 PHE A  80
ILE A 108
TRP A 109
LEU A 192
ASP A 218
GLY A 222
ASN A 226
TYR A 258
MET A 311
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.4A)
 0.76A 6r2eA-1hvyA:
47.3		 6r2eA-1hvyA:
99.65
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 ASP C 513
LEU C 516
GLY C 517
PHE C 520
ASN C 521
TYR C 553
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-2.8A)
UMP  C 611 (-4.9A)
 0.39A 6r2eA-1j3jC:
40.5		 6r2eA-1j3jC:
49.39
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 ILE C 403
ASN C 407
LEU C 487
GLY C 517
ASN C 521
 None
None
None
UMP  C 611 (-3.5A)
UMP  C 611 (-2.8A)
 1.07A 6r2eA-1j3jC:
40.5		 6r2eA-1j3jC:
49.39
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 ILE C 403
TRP C 404
ASN C 407
LEU C 487
ASN C 521
 None
None
None
None
UMP  C 611 (-2.8A)
 0.89A 6r2eA-1j3jC:
40.5		 6r2eA-1j3jC:
49.39
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.
1r4n UBIQUITIN-ACTIVATING
ENZYME E1C

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind) 		5 ILE B 192
LEU B 145
LEU B 158
GLY B 156
TYR B 135
 None
ATP  B   5 (-4.5A)
None
None
None
 1.17A 6r2eA-1r4nB:
0.0		 6r2eA-1r4nB:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1srq GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF02145
(Rap_GAP) 		5 PHE A 193
ILE A 264
LEU A 224
GLY A 196
PHE A 195
 None
 1.25A 6r2eA-1srqA:
0.0		 6r2eA-1srqA:
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.
1tu7 GLUTATHIONE
S-TRANSFERASE 2

(Onchocerca
volvulus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ILE A 147
LEU A 154
LEU A 143
GLY A 144
TYR A  86
 None
 1.19A 6r2eA-1tu7A:
0.0		 6r2eA-1tu7A:
22.73
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) 		12 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
ASN A 227
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.56A 6r2eA-2aazA:
undetectable		 6r2eA-2aazA:
56.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH

(Desulfovibrio
vulgaris) 		PF01814
(Hemerythrin) 		5 PHE A  85
ASN A  15
LEU A  16
PHE A  60
TYR A  72
 None
None
None
FEO  A 137 ( 4.8A)
None
 1.25A 6r2eA-2awcA:
undetectable		 6r2eA-2awcA:
15.71
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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 PHE A 284
ILE A 237
ASN A 240
LEU A 234
GLY A 231
 None
 1.21A 6r2eA-2dpgA:
undetectable		 6r2eA-2dpgA:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A 288
ASP A 426
LEU A 429
GLY A 430
ASN A 434
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
DU  A 611 (-4.6A)
 0.64A 6r2eA-2h2qA:
39.5		 6r2eA-2h2qA:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 PHE A 288
ILE A 316
ASP A 426
GLY A 430
PHE A 433
ASN A 434
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-3.0A)
DU  A 611 (-4.6A)
 0.97A 6r2eA-2h2qA:
39.5		 6r2eA-2h2qA:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 PHE A 288
ILE A 316
TRP A 317
ASN A 320
GLY A 430
PHE A 433
ASN A 434
 None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-3.0A)
 1.07A 6r2eA-2h2qA:
39.5		 6r2eA-2h2qA:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 PHE A 288
ILE A 316
TRP A 317
ASN A 320
LEU A 400
PHE A 433
ASN A 434
 None
None
None
None
None
None
DU  A 611 (-3.0A)
 1.07A 6r2eA-2h2qA:
39.5		 6r2eA-2h2qA:
39.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hf8 PROBABLE HYDROGENASE
NICKEL INCORPORATION
PROTEIN HYPB

(Methanocaldococcus
jannaschii) 		PF02492
(cobW) 		5 ILE A  66
ASN A 121
ASP A  98
LEU A 101
ASN A  24
 None
 1.19A 6r2eA-2hf8A:
undetectable		 6r2eA-2hf8A:
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.
2ia7 TAIL LYSOZYME,
PUTATIVE

(Geobacter
sulfurreducens) 		PF04965
(GPW_gp25) 		5 PHE A 127
ILE A 108
LEU A  71
GLY A  72
ASN A  76
 None
 1.23A 6r2eA-2ia7A:
undetectable		 6r2eA-2ia7A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m5t HUMAN RHINOVIRUS 2A
PROTEINASE

(Rhinovirus C) 		PF00947
(Pico_P2A) 		5 ILE A 119
ASN A  16
LEU A  35
GLY A 117
PHE A 129
 None
 1.15A 6r2eA-2m5tA:
undetectable		 6r2eA-2m5tA:
18.49
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 ILE B2192
LEU B2145
LEU B2158
GLY B2156
TYR B2135
 None
ATP  B 103 ( 4.9A)
None
None
None
 1.16A 6r2eA-2nvuB:
undetectable		 6r2eA-2nvuB:
17.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
ASN A 434
TYR A 466
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
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 ( 3.5A)
 0.75A 6r2eA-2oipA:
44.5		 6r2eA-2oipA:
35.07
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 ASP A 221
LEU A 224
GLY A 225
PHE A 228
ASN A 229
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 (-3.7A)
UFP  A 529 (-4.7A)
 0.51A 6r2eA-2tddA:
34.4		 6r2eA-2tddA:
40.61
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 ILE A  81
LEU A 195
ASP A 221
GLY A 225
PHE A 228
ASN A 229
 THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.84A 6r2eA-2tddA:
34.4		 6r2eA-2tddA:
40.61
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 ILE A  81
TRP A  82
LEU A 195
PHE A 228
ASN A 229
 THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.81A 6r2eA-2tddA:
34.4		 6r2eA-2tddA:
40.61
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 195
ASP A 221
LEU A 224
GLY A 225
PHE A 228
ASN A 229
 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)
UFP  A 529 (-3.7A)
 0.68A 6r2eA-2tddA:
34.4		 6r2eA-2tddA:
40.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE M 704
LEU M 106
ASP M  90
GLY M 120
MET M  94
 None
 1.31A 6r2eA-2w4gM:
undetectable		 6r2eA-2w4gM:
17.31
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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		5 ILE A 381
TRP A 378
LEU A 155
ASP A 119
GLY A 121
 None
 1.28A 6r2eA-2zu8A:
undetectable		 6r2eA-2zu8A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afo NADH KINASE POS5

(Saccharomyces
cerevisiae) 		PF01513
(NAD_kinase) 		5 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.19A 6r2eA-3afoA:
undetectable		 6r2eA-3afoA:
19.80
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.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		5 PHE A 241
ILE A 237
ASN A 260
GLY A 233
ASN A 230
 None
 1.23A 6r2eA-3dwzA:
undetectable		 6r2eA-3dwzA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e3p PROTEIN KINASE,
PUTATIVE GLYCOGEN
SYNTHASE KINASE

(Leishmania
major) 		PF00069
(Pkinase) 		5 TRP A 271
LEU A 243
LEU A 293
GLY A 214
PHE A 217
 None
 1.12A 6r2eA-3e3pA:
undetectable		 6r2eA-3e3pA:
20.62
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 236
LEU A 132
LEU A 239
GLY A 160
PHE A 161
 None
 1.13A 6r2eA-3fw8A:
undetectable		 6r2eA-3fw8A:
21.09
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.
3fz4 PUTATIVE ARSENATE
REDUCTASE

(Streptococcus
mutans) 		PF03960
(ArsC) 		5 PHE A  56
ILE A  42
ASP A  88
LEU A  91
GLY A  89
 None
 1.23A 6r2eA-3fz4A:
undetectable		 6r2eA-3fz4A:
16.36
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.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		5 TRP A 384
ASN A 254
ASP A 387
LEU A 386
ASN A 380
 None
 1.20A 6r2eA-3hsiA:
undetectable		 6r2eA-3hsiA:
20.68
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.
3io5 RECOMBINATION AND
REPAIR PROTEIN

(Escherichia
virus T4) 		PF00154
(RecA) 		5 ILE A 193
ASN A 147
LEU A 148
ASP A  90
PHE A 141
 None
 1.23A 6r2eA-3io5A:
undetectable		 6r2eA-3io5A:
21.02
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 ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 None
 0.48A 6r2eA-3ix6A:
32.9		 6r2eA-3ix6A:
45.67
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
 0.71A 6r2eA-3ix6A:
32.9		 6r2eA-3ix6A:
45.67
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) 		6 PHE A  60
ASP A 197
GLY A 201
PHE A 204
ASN A 205
TYR A 237
 None
 1.06A 6r2eA-3kgbA:
36.5		 6r2eA-3kgbA:
54.27
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) 		6 PHE A  60
ASP A 197
LEU A 200
GLY A 201
ASN A 205
TYR A 237
 None
 0.77A 6r2eA-3kgbA:
36.5		 6r2eA-3kgbA:
54.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 ILE A 306
TRP A 307
ASN A 310
LEU A 390
ASP A 416
LEU A 419
GLY A 420
PHE A 423
ASN A 424
TYR A 456
MET A 509
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
None
None
None
GOL  A 516 (-4.0A)
 0.54A 6r2eA-3kjrA:
44.8		 6r2eA-3kjrA:
35.42
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.
3l5a NADH/FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Staphylococcus
aureus) 		PF00724
(Oxidored_FMN) 		5 ILE A 215
ASN A  15
LEU A  13
ASP A 165
GLY A 166
 None
 1.21A 6r2eA-3l5aA:
undetectable		 6r2eA-3l5aA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		5 ILE A  83
TRP A 232
LEU A 219
ASP A 259
GLY A  63
 None
 1.26A 6r2eA-3op7A:
undetectable		 6r2eA-3op7A:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwx HYPOTHETICAL
BACTERIAL OUTER
MEMBRANE PROTEIN

(Bacteroides
fragilis) 		PF13944
(Calycin_like) 		5 PHE A  95
ILE A  72
ASP A  69
GLY A  70
ASN A  31
 None
None
None
GOL  A 291 ( 4.5A)
MLY  A  32 (-3.9A)
 1.23A 6r2eA-3rwxA:
undetectable		 6r2eA-3rwxA:
21.64
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.
3tc3 UV DAMAGE
ENDONUCLEASE

(Sulfolobus
acidocaldarius) 		PF03851
(UvdE) 		5 PHE A 160
ILE A 173
ASN A 175
GLY A 143
PHE A 156
 None
 1.26A 6r2eA-3tc3A:
undetectable		 6r2eA-3tc3A:
25.00
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.43A 6r2eA-3um6A:
40.7		 6r2eA-3um6A:
28.95
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A 403
ASN A 407
LEU A 487
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.03A 6r2eA-3um6A:
40.7		 6r2eA-3um6A:
28.95
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A 403
TRP A 404
ASN A 407
LEU A 487
ASN A 521
 None
None
None
None
UMP  A 611 (-2.8A)
 0.88A 6r2eA-3um6A:
40.7		 6r2eA-3um6A:
28.95
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) 		6 TRP A  80
ASN A  83
LEU A 189
GLY A 221
PHE A 224
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
None
 1.02A 6r2eA-3v8hA:
34.7		 6r2eA-3v8hA:
33.43
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)
 1.05A 6r2eA-3v8hA:
34.7		 6r2eA-3v8hA:
33.43
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 ILE A  38
LEU A 299
ASP A 121
LEU A  48
GLY A  47
 None
 1.28A 6r2eA-3va8A:
undetectable		 6r2eA-3va8A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq1 ENDOGLUCANASE A

(Pyrococcus
furiosus) 		PF01670
(Glyco_hydro_12) 		5 ILE A 259
LEU A 310
ASP A 156
GLY A 262
PHE A 264
 None
 1.31A 6r2eA-3wq1A:
undetectable		 6r2eA-3wq1A:
19.15
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 ASP A 224
GLY A 228
PHE A 231
ASN A 232
TYR A 264
 None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.96A 6r2eA-4dq1A:
34.3		 6r2eA-4dq1A:
43.47
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 ASP A 224
LEU A 227
GLY A 228
ASN A 232
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.33A 6r2eA-4dq1A:
34.3		 6r2eA-4dq1A:
43.47
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
ASP A 169
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)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.69A 6r2eA-4fogA:
37.8		 6r2eA-4fogA:
44.92
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 ASP A 172
LEU A 175
GLY A 176
PHE A 179
ASN A 180
TYR A 212
 None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
UMP  A 301 (-4.5A)
 0.58A 6r2eA-4h0uA:
36.1		 6r2eA-4h0uA:
43.38
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 ASP A 220
LEU A 223
GLY A 224
ASN A 228
TYR A 260
 D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
D16  A 402 ( 4.2A)
 0.76A 6r2eA-4iqqA:
41.7		 6r2eA-4iqqA:
60.43
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)
 0.97A 6r2eA-4iqqA:
41.7		 6r2eA-4iqqA:
60.43
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
ASN A 114
LEU A 194
GLY A 224
PHE A 227
ASN A 228
 D16  A 402 (-4.0A)
None
None
None
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
UMP  A 401 (-3.3A)
 1.18A 6r2eA-4iqqA:
41.7		 6r2eA-4iqqA:
60.43
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
LEU A 223
GLY A 224
PHE A 227
ASN A 228
 D16  A 402 (-4.0A)
None
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
UMP  A 401 (-3.3A)
 1.24A 6r2eA-4iqqA:
41.7		 6r2eA-4iqqA:
60.43
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.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		5 ILE A 185
LEU A 348
LEU A 183
GLY A 182
ASN A 178
 None
 1.05A 6r2eA-4k05A:
undetectable		 6r2eA-4k05A:
22.22
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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A 413
ASP A  27
LEU A  29
GLY A  59
PHE A  60
 None
 1.31A 6r2eA-4lnfA:
undetectable		 6r2eA-4lnfA:
20.82
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 PHE A  68
ASP A 206
LEU A 209
GLY A 210
ASN A 214
TYR A 246
 None
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 0.42A 6r2eA-4xscA:
40.0		 6r2eA-4xscA:
65.94
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 PHE A  68
ILE A  96
GLY A 210
PHE A 213
ASN A 214
TYR A 246
 None
1PE  A1002 (-4.6A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 1.14A 6r2eA-4xscA:
40.0		 6r2eA-4xscA:
65.94
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 PHE A  68
ILE A  96
LEU A 180
GLY A 210
PHE A 213
ASN A 214
 None
1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-2.8A)
 1.31A 6r2eA-4xscA:
40.0		 6r2eA-4xscA:
65.94
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 PHE A  68
ILE A  96
TRP A  97
LEU A 180
GLY A 210
ASN A 214
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.88A 6r2eA-4xscA:
40.0		 6r2eA-4xscA:
65.94
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 PHE A  68
TRP A  97
LEU A 180
LEU A 209
GLY A 210
ASN A 214
 None
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.95A 6r2eA-4xscA:
40.0		 6r2eA-4xscA:
65.94
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
ASN A 106
LEU A 186
PHE A 219
ASN A 220
 DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
None
DTT  A 402 ( 4.1A)
UMP  A 401 (-3.2A)
 1.24A 6r2eA-5by6A:
41.8		 6r2eA-5by6A:
61.66
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 PHE A  74
ASP A 212
LEU A 215
GLY A 216
ASN A 220
TYR A 252
 None
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-3.2A)
UMP  A 401 (-4.6A)
 0.63A 6r2eA-5by6A:
41.8		 6r2eA-5by6A:
61.66
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 PHE A  74
GLY A 216
PHE A 219
ASN A 220
TYR A 252
 None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-3.2A)
UMP  A 401 (-4.6A)
 1.10A 6r2eA-5by6A:
41.8		 6r2eA-5by6A:
61.66
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 PHE A  74
ILE A 102
TRP A 103
ASN A 106
PHE A 219
ASN A 220
 None
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
DTT  A 402 ( 4.1A)
UMP  A 401 (-3.2A)
 1.17A 6r2eA-5by6A:
41.8		 6r2eA-5by6A:
61.66
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.
5fgn LIPOOLIGOSACCHARIDE
PHOSPHOETHANOLAMINE
TRANSFERASE A

(Neisseria
meningitidis) 		PF00884
(Sulfatase)
PF08019
(DUF1705) 		5 ILE A 376
ASN A 336
LEU A 284
PHE A 288
ASN A 306
 None
 1.29A 6r2eA-5fgnA:
undetectable		 6r2eA-5fgnA:
18.76
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) 		6 ILE A 132
TRP A 133
ASN A 136
LEU A 216
PHE A 249
ASN A 250
 D16  A 401 ( 4.0A)
None
None
None
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
 1.10A 6r2eA-5h3aA:
42.5		 6r2eA-5h3aA:
71.38
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) 		6 ILE A 132
TRP A 133
LEU A 216
GLY A 246
PHE A 249
ASN A 250
 D16  A 401 ( 4.0A)
None
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
 1.18A 6r2eA-5h3aA:
42.5		 6r2eA-5h3aA:
71.38
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 PHE A 104
ASP A 242
GLY A 246
ASN A 250
TYR A 282
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
UMP  A 402 (-4.5A)
 0.60A 6r2eA-5h3aA:
42.5		 6r2eA-5h3aA:
71.38
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) 		6 PHE A 104
ILE A 132
GLY A 246
PHE A 249
ASN A 250
TYR A 282
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
UMP  A 402 (-4.5A)
 1.18A 6r2eA-5h3aA:
42.5		 6r2eA-5h3aA:
71.38
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) 		6 PHE A 104
ILE A 132
TRP A 133
ASN A 136
PHE A 249
ASN A 250
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
None
None
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
 1.22A 6r2eA-5h3aA:
42.5		 6r2eA-5h3aA:
71.38
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) 		6 PHE A 104
ILE A 132
TRP A 133
GLY A 246
PHE A 249
ASN A 250
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
 1.24A 6r2eA-5h3aA:
42.5		 6r2eA-5h3aA:
71.38
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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 PHE B 387
ILE B 365
ASN B 344
LEU B 322
ASP B 316
 None
 1.07A 6r2eA-5hz1B:
undetectable		 6r2eA-5hz1B:
19.23
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) 		5 ASP A 220
GLY A 224
PHE A 227
ASN A 228
TYR A 260
 None
 0.76A 6r2eA-5j7wA:
34.3		 6r2eA-5j7wA:
43.80
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) 		5 ASP A 220
LEU A 223
GLY A 224
ASN A 228
TYR A 260
 None
 0.31A 6r2eA-5j7wA:
34.3		 6r2eA-5j7wA:
43.80
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A 867
LEU A 926
ASP A 873
LEU A 869
GLY A 870
 None
 1.06A 6r2eA-5ja1A:
undetectable		 6r2eA-5ja1A:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc8 ARACHIDONATE
15-LIPOXYGENASE

(Pseudomonas
aeruginosa) 		PF00305
(Lipoxygenase) 		5 ILE A 192
ASN A 607
LEU A 116
LEU A 124
PHE A 132
 ZPE  A 703 ( 4.7A)
ZPE  A 703 ( 3.9A)
ZPE  A 703 ( 4.3A)
None
None
 1.31A 6r2eA-5lc8A:
undetectable		 6r2eA-5lc8A:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lxz SECRETED PROTEIN

(Streptomyces
lividans) 		PF07646
(Kelch_2)
PF09118
(DUF1929) 		5 ILE B 350
ASP B 297
LEU B 295
GLY B 296
ASN B 618
 None
EDO  B 713 (-3.3A)
EDO  B 713 (-3.9A)
EDO  B 713 (-3.6A)
None
 1.25A 6r2eA-5lxzB:
undetectable		 6r2eA-5lxzB:
20.96
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.
5npt TELOMERASE REVERSE
TRANSCRIPTASE

(Ogataea
polymorpha) 		no annotation 5 PHE A 109
ASN A 127
LEU A  63
PHE A 121
TYR A  66
 None
 1.02A 6r2eA-5nptA:
undetectable		 6r2eA-5nptA:
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.
5nuq PROBABLE
PHOSPHOLIPID-BINDING
LIPOPROTEIN MLAA

(Serratia
marcescens) 		no annotation 5 ASN G 210
ASP G 144
GLY G 118
PHE G 117
TYR G 128
 None
 1.26A 6r2eA-5nuqG:
undetectable		 6r2eA-5nuqG:
20.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 PHE A 374
ILE A 402
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
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 (-3.6A)
 0.92A 6r2eA-5t0lA:
45.1		 6r2eA-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.72A 6r2eA-5t0lA:
45.1		 6r2eA-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 PHE A 138
ILE A   7
LEU A 119
LEU A 154
GLY A 150
 None
 1.13A 6r2eA-5ucyA:
undetectable		 6r2eA-5ucyA:
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.
5xoz TRYPSIN PROTEIN
INHIBITOR 2

(Cicer arietinum) 		no annotation 5 ILE A 117
ASN A 174
LEU A 148
GLY A 149
PHE A 135
 None
 1.23A 6r2eA-5xozA:
undetectable		 6r2eA-5xozA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 ASP A 177
LEU A 180
GLY A 181
ASN A 185
TYR A 217
 None
None
PGE  A 301 ( 4.0A)
PGE  A 301 ( 4.9A)
None
 0.60A 6r2eA-6aujA:
33.1		 6r2eA-6aujA:
48.16
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 7 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.96A 6r2eA-6cdzA:
37.1		 6r2eA-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 ILE A  79
LEU A 143
LEU A 172
GLY A 173
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.18A 6r2eA-6cdzA:
37.1		 6r2eA-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 ILE A  79
TRP A  80
LEU A 143
GLY A 173
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.14A 6r2eA-6cdzA:
37.1		 6r2eA-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.
6ekt P-47 PROTEIN

(Clostridium
botulinum) 		no annotation 5 LEU A 320
GLY A 396
PHE A 397
ASN A 342
MET A 260
 None
 1.25A 6r2eA-6ektA:
undetectable		 6r2eA-6ektA:
21.30