SIMILAR PATTERNS OF AMINO ACIDS FOR 6R2E_E_FFOE403

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) 		9 PHE A  58
ILE A  86
ASN A  90
LEU A 170
LEU A 205
GLY A 206
PHE A 209
ASN A 210
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 (-3.8A)
 1.03A 6r2eE-1ci7A:
43.3		 6r2eE-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
TYR A 113
LEU A 170
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.76A 6r2eE-1ci7A:
43.3		 6r2eE-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.
1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 PHE A  65
ILE A  73
LEU A 389
LEU A 112
PHE A  70
 None
 1.18A 6r2eE-1g55A:
0.0		 6r2eE-1g55A:
21.25
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
ASN A 112
TYR A 135
LEU A 192
GLY A 222
PHE A 225
ASN A 226
MET A 311
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
None
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
 1.02A 6r2eE-1hvyA:
47.2		 6r2eE-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
ASN A 112
TYR A 135
LEU A 192
LEU A 221
GLY A 222
PHE A 225
ASN A 226
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
None
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
 0.84A 6r2eE-1hvyA:
47.2		 6r2eE-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
ASN A 112
TYR A 135
LEU A 192
GLY A 222
ASN A 226
MET A 311
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
None
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
 0.80A 6r2eE-1hvyA:
47.2		 6r2eE-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
ASN A 112
TYR A 135
LEU A 192
LEU A 221
GLY A 222
ASN A 226
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
None
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
 0.60A 6r2eE-1hvyA:
47.2		 6r2eE-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
TYR A 135
LEU A 192
GLY A 222
ASN A 226
MET A 311
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
None
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.84A 6r2eE-1hvyA:
47.2		 6r2eE-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
TYR A 135
LEU A 192
LEU A 221
GLY A 222
ASN A 226
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
None
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.6A)
 0.76A 6r2eE-1hvyA:
47.2		 6r2eE-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
TYR A 135
LEU A 192
GLY A 222
PHE A 225
ASN A 226
MET A 311
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
None
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 1.06A 6r2eE-1hvyA:
47.2		 6r2eE-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
TYR A 135
LEU A 192
LEU A 221
GLY A 222
PHE A 225
ASN A 226
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
None
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.6A)
 0.98A 6r2eE-1hvyA:
47.2		 6r2eE-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) 		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)
 1.05A 6r2eE-1j3jC:
40.5		 6r2eE-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) 		6 ILE C 403
TRP C 404
ASN C 407
TYR C 430
LEU C 487
ASN C 521
 None
None
None
None
None
UMP  C 611 (-2.8A)
 0.97A 6r2eE-1j3jC:
40.5		 6r2eE-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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 232
LEU A 303
GLY A 314
PHE A 317
ALA A 229
 None
 1.05A 6r2eE-1s5jA:
0.0		 6r2eE-1s5jA:
15.85
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) 		6 ASN A  90
TYR A 109
LEU A 153
GLY A 183
ASN A 187
ALA A 285
 None
 1.50A 6r2eE-1tisA:
30.3		 6r2eE-1tisA:
38.90
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) 		6 TRP A  87
ASN A  90
TYR A 109
LEU A 153
ASN A 187
ALA A 285
 None
 1.31A 6r2eE-1tisA:
30.3		 6r2eE-1tisA:
38.90
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 ILE A 183
LEU A  98
LEU A  52
ASN A 204
ALA A 157
 None
 1.06A 6r2eE-1xocA:
0.0		 6r2eE-1xocA:
19.55
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) 		11 PHE A  72
ILE A 100
TRP A 101
ASN A 104
TYR A 127
LEU A 184
LEU A 222
GLY A 223
PHE A 226
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
None
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.47A 6r2eE-2aazA:
undetectable		 6r2eE-2aazA:
56.34
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) 		5 PHE A  72
ILE A 100
TYR A 127
PHE A 226
ALA A 317
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
None
CB3  A2351 (-3.8A)
None
 1.04A 6r2eE-2aazA:
undetectable		 6r2eE-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.
2ak3 ADENYLATE KINASE
ISOENZYME-3

(Bos taurus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ILE A  10
ASN A 111
LEU A 182
GLY A  89
ALA A  13
 None
None
None
AMP  A 226 (-4.7A)
None
 1.13A 6r2eE-2ak3A:
undetectable		 6r2eE-2ak3A:
21.02
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.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		5 PHE A  36
ILE A 175
LEU A 128
PHE A  38
ALA A 101
 None
 1.16A 6r2eE-2bznA:
undetectable		 6r2eE-2bznA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.06A 6r2eE-2c3oA:
undetectable		 6r2eE-2c3oA:
13.74
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.
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
 1.18A 6r2eE-2dpgA:
undetectable		 6r2eE-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) 		7 PHE A 288
ILE A 316
ASN A 320
LEU A 400
GLY A 430
PHE A 433
ASN A 434
 None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-3.0A)
 1.19A 6r2eE-2h2qA:
39.4		 6r2eE-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
ASN A 320
TYR A 343
LEU A 400
GLY A 430
ASN A 434
 None
None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.99A 6r2eE-2h2qA:
39.4		 6r2eE-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)
 1.06A 6r2eE-2h2qA:
39.4		 6r2eE-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
TYR A 343
LEU A 400
ASN A 434
 None
None
None
None
None
None
DU  A 611 (-3.0A)
 0.83A 6r2eE-2h2qA:
39.4		 6r2eE-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) 		6 PHE A 288
ILE A 316
TYR A 343
LEU A 429
GLY A 430
ASN A 434
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.93A 6r2eE-2h2qA:
39.4		 6r2eE-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.
2hy5 PUTATIVE
SULFURTRANSFERASE
DSRE
INTRACELLULAR SULFUR
OXIDATION PROTEIN
DSRF

(Allochromatium
vinosum;
Allochromatium
vinosum) 		PF02635
(DrsE)
PF02635
(DrsE) 		5 PHE A  23
LEU B 211
GLY A 129
PHE A 128
ASN A   8
 None
 1.17A 6r2eE-2hy5A:
undetectable		 6r2eE-2hy5A:
18.27
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.
2ivp O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Pyrococcus
abyssi) 		PF00814
(Peptidase_M22) 		5 PHE A  74
ILE A 290
LEU A 282
GLY A  14
ALA A  25
 None
 1.10A 6r2eE-2ivpA:
undetectable		 6r2eE-2ivpA:
22.81
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.
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
 1.19A 6r2eE-2m5tA:
undetectable		 6r2eE-2m5tA:
18.49
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
TYR A 342
LEU A 399
LEU A 429
GLY A 430
PHE A 433
ASN A 434
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
None
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.63A 6r2eE-2oipA:
44.4		 6r2eE-2oipA:
35.07
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.
2pbp ENOYL-COA HYDRATASE
SUBUNIT I

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 LEU A  20
GLY A  57
PHE A  62
ASN A 103
ALA A   8
 None
 1.16A 6r2eE-2pbpA:
undetectable		 6r2eE-2pbpA:
22.52
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
TRP A  82
TYR A 146
LEU A 195
PHE A 228
ASN A 229
 THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
None
THF  A 568 (-4.6A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.85A 6r2eE-2tddA:
34.3		 6r2eE-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
TYR A 146
LEU A 195
GLY A 225
PHE A 228
ASN A 229
 THF  A 568 ( 4.8A)
None
THF  A 568 (-4.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.90A 6r2eE-2tddA:
34.3		 6r2eE-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 LEU A 195
LEU A 224
GLY A 225
PHE A 228
ASN A 229
 THF  A 568 (-4.6A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.63A 6r2eE-2tddA:
34.3		 6r2eE-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.
2ygq WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF)
PF12661
(hEGF) 		5 ILE A 263
LEU A 104
GLY A 125
PHE A 257
MET A 157
 None
 1.20A 6r2eE-2ygqA:
undetectable		 6r2eE-2ygqA:
20.60
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.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 PHE A 468
ILE A 428
ASN A 370
LEU A 373
ALA A 392
 None
 1.11A 6r2eE-3actA:
undetectable		 6r2eE-3actA:
17.18
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.
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 6r2eE-3afoA:
undetectable		 6r2eE-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.
3ec3 PROTEIN
DISULFIDE-ISOMERASE
A4

(Rattus
norvegicus) 		PF13848
(Thioredoxin_6) 		5 PHE A 443
ASN A 434
TYR A 417
LEU A 394
PHE A 448
 None
 0.89A 6r2eE-3ec3A:
undetectable		 6r2eE-3ec3A:
22.92
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
 0.66A 6r2eE-3ix6A:
32.7		 6r2eE-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 TYR A  94
LEU A 143
GLY A 173
PHE A 176
ASN A 177
 None
 0.83A 6r2eE-3ix6A:
32.7		 6r2eE-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) 		5 PHE A  60
TYR A 114
LEU A 200
GLY A 201
ASN A 205
 None
 0.70A 6r2eE-3kgbA:
36.1		 6r2eE-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) 		10 ILE A 306
TRP A 307
ASN A 310
TYR A 333
LEU A 390
LEU A 419
GLY A 420
PHE A 423
ASN A 424
MET A 509
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
None
None
GOL  A 516 (-4.0A)
 0.50A 6r2eE-3kjrA:
44.6		 6r2eE-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.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 PHE A 194
LEU A 174
GLY A 173
ASN A 437
ALA A  63
 None
 1.18A 6r2eE-3m1lA:
undetectable		 6r2eE-3m1lA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mn1 PROBABLE YRBI FAMILY
PHOSPHATASE

(Pseudomonas
savastanoi) 		PF08282
(Hydrolase_3) 		5 ILE A 124
LEU A  97
LEU A 129
GLY A 128
ALA A  20
 None
 1.13A 6r2eE-3mn1A:
undetectable		 6r2eE-3mn1A:
21.67
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.
3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE

(Pseudomonas sp.
AC2) 		PF13419
(HAD_2) 		5 LEU A 117
LEU A   3
PHE A   6
MET A 230
ALA A 231
 None
 1.15A 6r2eE-3smvA:
undetectable		 6r2eE-3smvA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u7r NADPH-DEPENDENT FMN
REDUCTASE

(Paracoccus
denitrificans) 		PF03358
(FMN_red) 		5 PHE A 174
ILE A 110
TYR A 152
PHE A 170
ALA A 120
 None
 1.16A 6r2eE-3u7rA:
undetectable		 6r2eE-3u7rA:
17.90
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 403
ASN A 407
TYR A 430
LEU A 487
GLY A 517
ASN A 521
 None
None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.09A 6r2eE-3um6A:
40.7		 6r2eE-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) 		6 ILE A 403
TRP A 404
ASN A 407
TYR A 430
LEU A 487
ASN A 521
 None
None
None
None
None
UMP  A 611 (-2.8A)
 0.92A 6r2eE-3um6A:
40.7		 6r2eE-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 PHE A 375
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 None
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 1.12A 6r2eE-3um6A:
40.7		 6r2eE-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 TYR A 430
LEU A 487
LEU A 516
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 0.98A 6r2eE-3um6A:
40.7		 6r2eE-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) 		5 ASN A  83
LEU A 189
GLY A 221
PHE A 224
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 1.01A 6r2eE-3v8hA:
34.7		 6r2eE-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) 		6 ASN A  83
TYR A 106
LEU A 189
LEU A 220
GLY A 221
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
None
 0.76A 6r2eE-3v8hA:
34.7		 6r2eE-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
ASN A  83
LEU A 189
PHE A 224
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
 0.84A 6r2eE-3v8hA:
34.7		 6r2eE-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
ASN A  83
TYR A 106
LEU A 189
ASN A 225
 None
None
None
CIT  A 400 (-4.3A)
None
 0.52A 6r2eE-3v8hA:
34.7		 6r2eE-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.
4b8c GLUCOSE-REPRESSIBLE
ALCOHOL
DEHYDROGENASE
TRANSCRIPTIONAL
EFFECTOR

(Saccharomyces
cerevisiae) 		PF03372
(Exo_endo_phos)
PF13855
(LRR_8) 		5 LEU D 399
GLY D 400
PHE D 422
ASN D 424
ALA D 374
 None
 1.17A 6r2eE-4b8cD:
undetectable		 6r2eE-4b8cD:
17.87
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 TYR A 149
LEU A 198
LEU A 227
GLY A 228
ASN A 232
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-2.7A)
 0.80A 6r2eE-4dq1A:
34.1		 6r2eE-4dq1A:
43.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4efi 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A 116
LEU A  72
GLY A  70
ASN A 102
ALA A  76
 None
 1.19A 6r2eE-4efiA:
undetectable		 6r2eE-4efiA:
20.41
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) 		7 ILE A  79
TRP A  80
TYR A  94
LEU A 143
GLY A 173
PHE A 176
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
None
C2F  A 302 (-4.8A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
 0.51A 6r2eE-4fogA:
37.8		 6r2eE-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) 		5 ILE A  82
TRP A  83
TYR A  97
LEU A 146
ASN A 180
 None
None
None
None
UMP  A 301 (-3.0A)
 0.71A 6r2eE-4h0uA:
36.1		 6r2eE-4h0uA:
43.38
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 TYR A  97
LEU A 146
LEU A 175
GLY A 176
PHE A 179
ASN A 180
 None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
 0.86A 6r2eE-4h0uA:
36.1		 6r2eE-4h0uA:
43.38
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.
4ikv DI-TRIPEPTIDE ABC
TRANSPORTER
(PERMEASE)

(Geobacillus
kaustophilus) 		PF00854
(PTR2) 		5 ILE A 470
GLY A 379
PHE A 382
MET A 304
ALA A 301
 None
 1.04A 6r2eE-4ikvA:
undetectable		 6r2eE-4ikvA:
20.23
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 ILE A 110
ASN A 114
GLY A 224
PHE A 227
ASN A 228
 D16  A 402 (-4.0A)
None
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
UMP  A 401 (-3.3A)
 1.10A 6r2eE-4iqqA:
41.6		 6r2eE-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
ASN A 114
TYR A 137
LEU A 194
GLY A 224
ASN A 228
 D16  A 402 (-4.0A)
None
None
None
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.83A 6r2eE-4iqqA:
41.6		 6r2eE-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) 		5 ILE A 110
LEU A 223
GLY A 224
PHE A 227
ASN A 228
 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)
 0.97A 6r2eE-4iqqA:
41.6		 6r2eE-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) 		5 ILE A 110
TRP A 111
ASN A 114
PHE A 227
ASN A 228
 D16  A 402 (-4.0A)
None
None
D16  A 402 (-3.2A)
UMP  A 401 (-3.3A)
 1.09A 6r2eE-4iqqA:
41.6		 6r2eE-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
TRP A 111
ASN A 114
TYR A 137
LEU A 194
ASN A 228
 D16  A 402 (-4.0A)
None
None
None
None
UMP  A 401 (-3.3A)
 0.74A 6r2eE-4iqqA:
41.6		 6r2eE-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) 		5 ILE A 110
TRP A 111
LEU A 223
PHE A 227
ASN A 228
 D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 (-3.2A)
UMP  A 401 (-3.3A)
 1.17A 6r2eE-4iqqA:
41.6		 6r2eE-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
TRP A 111
TYR A 137
LEU A 194
LEU A 223
ASN A 228
 D16  A 402 (-4.0A)
None
None
None
D16  A 402 (-3.7A)
UMP  A 401 (-3.3A)
 0.90A 6r2eE-4iqqA:
41.6		 6r2eE-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
TYR A 137
LEU A 194
LEU A 223
GLY A 224
ASN A 228
 D16  A 402 (-4.0A)
None
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.90A 6r2eE-4iqqA:
41.6		 6r2eE-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
 1.02A 6r2eE-4k05A:
undetectable		 6r2eE-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.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		5 PHE X 165
ILE X 164
LEU X 226
GLY X  74
ALA X 232
 None
 1.10A 6r2eE-4pkaX:
undetectable		 6r2eE-4pkaX:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qla JUVENILE HORMONE
EPOXIDE HYDROLASE

(Bombyx mori) 		PF06441
(EHN) 		5 LEU A 168
LEU A 151
GLY A 225
ASN A 250
ALA A 183
 None
 1.20A 6r2eE-4qlaA:
undetectable		 6r2eE-4qlaA:
22.48
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)
 1.32A 6r2eE-4xscA:
39.7		 6r2eE-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) 		8 PHE A  68
ILE A  96
TRP A  97
TYR A 123
LEU A 180
LEU A 209
GLY A 210
ASN A 214
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
None
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.92A 6r2eE-4xscA:
39.7		 6r2eE-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
TYR A 129
LEU A 186
ASN A 220
 DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
None
None
UMP  A 401 (-3.2A)
 0.89A 6r2eE-5by6A:
41.6		 6r2eE-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)
 1.22A 6r2eE-5by6A:
41.6		 6r2eE-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
TYR A 129
ASN A 220
 None
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
None
UMP  A 401 (-3.2A)
 0.83A 6r2eE-5by6A:
41.6		 6r2eE-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
TYR A 129
LEU A 215
GLY A 216
ASN A 220
 None
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-3.2A)
 0.92A 6r2eE-5by6A:
41.6		 6r2eE-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.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		5 ASN A 281
GLY A 315
PHE A 336
ASN A 335
ALA A 318
 None
 1.12A 6r2eE-5e2hA:
undetectable		 6r2eE-5e2hA:
22.36
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.
5eo9 CG32791, ISOFORM A

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 ILE B 135
LEU B 109
GLY B 120
PHE B 137
ALA B  82
 None
None
None
NAG  B 901 ( 4.6A)
None
 0.97A 6r2eE-5eo9B:
undetectable		 6r2eE-5eo9B:
18.67
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) 		7 ILE A 132
TRP A 133
ASN A 136
LEU A 216
GLY A 246
PHE A 249
ASN A 250
 D16  A 401 ( 4.0A)
None
None
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
 1.13A 6r2eE-5h3aA:
42.5		 6r2eE-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) 		7 ILE A 132
TRP A 133
ASN A 136
TYR A 159
LEU A 216
GLY A 246
ASN A 250
 D16  A 401 ( 4.0A)
None
None
None
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.84A 6r2eE-5h3aA:
42.5		 6r2eE-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)
 1.32A 6r2eE-5h3aA:
42.5		 6r2eE-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
TYR A 159
GLY A 246
ASN A 250
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
None
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.93A 6r2eE-5h3aA:
42.5		 6r2eE-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.
5ksw DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		5 ILE A 283
ASN A  18
TYR A  37
ASN A 273
ALA A 266
 None
 1.08A 6r2eE-5kswA:
undetectable		 6r2eE-5kswA:
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.
5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC

(Flaveria
trinervia) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ILE A 815
TYR A 854
LEU A 773
GLY A 769
ALA A 752
 None
None
None
PYR  A 903 (-3.2A)
None
 0.99A 6r2eE-5lu4A:
undetectable		 6r2eE-5lu4A:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m1q PHAGE TERMINASE
LARGE SUBUNIT

(Thermus phage
G20c) 		PF17289
(Terminase_6C) 		5 ILE A 381
ASN A 383
LEU A 387
PHE A 408
ALA A 437
 None
 1.16A 6r2eE-5m1qA:
undetectable		 6r2eE-5m1qA:
20.12
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) 		10 PHE A 374
ILE A 402
ASN A 406
LEU A 486
LEU A 516
GLY A 517
PHE A 520
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.90A 6r2eE-5t0lA:
45.1		 6r2eE-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
TYR A 429
LEU A 486
LEU A 516
GLY A 517
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
None
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.65A 6r2eE-5t0lA:
45.1		 6r2eE-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
 1.19A 6r2eE-5ucyA:
undetectable		 6r2eE-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.
5vzt F-BOX ONLY PROTEIN
31

(Homo sapiens) 		no annotation 5 ILE B 337
TYR B 156
LEU B 269
GLY B 477
PHE B 478
 DTT  B 602 (-4.3A)
None
None
None
None
 0.97A 6r2eE-5vztB:
undetectable		 6r2eE-5vztB:
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 LEU A 532
LEU A 642
GLY A 641
PHE A 639
ALA A 685
 None
 0.96A 6r2eE-5wvgA:
undetectable		 6r2eE-5wvgA:
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 ILE A  87
TRP A  88
TYR A 102
LEU A 151
ASN A 185
 PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
None
None
PGE  A 301 ( 4.9A)
 0.87A 6r2eE-6aujA:
33.0		 6r2eE-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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT 1
DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 PHE A  39
ASN A 113
TYR A  52
LEU 1 310
GLY 1 309
 None
EGY  A 801 (-3.3A)
None
None
None
 1.19A 6r2eE-6c26A:
undetectable		 6r2eE-6c26A:
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)
 1.19A 6r2eE-6cdzA:
37.2		 6r2eE-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 5 ILE A  79
TRP A  80
LEU A 143
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.02A 6r2eE-6cdzA:
37.2		 6r2eE-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 5 ILE A  79
TRP A  80
TYR A  94
LEU A 143
ASN A 177
 CB3  A 701 (-3.9A)
None
None
None
UMP  A 702 ( 2.4A)
 0.57A 6r2eE-6cdzA:
37.2		 6r2eE-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
TYR A  94
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.86A 6r2eE-6cdzA:
37.2		 6r2eE-6cdzA:
undetectable