SIMILAR PATTERNS OF AMINO ACIDS FOR 5J7W_D_MTXD402_1

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 5j7wD-1alqA:
0.0		 5j7wD-1alqA:
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.
1b5d PROTEIN
(DEOXYCYTIDYLATE
HYDROXYMETHYLASE)

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 GLU A  60
TRP A  82
ASP A 171
GLY A 175
TYR A 218
 None
None
None
DCM  A 300 (-3.5A)
DCM  A 300 (-4.6A)
 0.85A 5j7wD-1b5dA:
18.1		 5j7wD-1b5dA:
24.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 GLU A  71
ILE A  93
TRP A  94
TRP A  97
GLY A 188
 None
 1.01A 5j7wD-1bsfA:
31.9		 5j7wD-1bsfA:
33.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		8 GLU A  65
ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
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)
 0.78A 5j7wD-1ci7A:
36.9		 5j7wD-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 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.89A 5j7wD-1ci7A:
36.9		 5j7wD-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 5j7wD-1ffvB:
0.7		 5j7wD-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) 		8 GLU A  87
ILE A 108
LEU A 192
ASP A 218
LEU A 221
GLY A 222
TYR A 258
ALA A 312
 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)
D16  A 414 (-3.6A)
 0.85A 5j7wD-1hvyA:
39.0		 5j7wD-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) 		8 GLU A  87
ILE A 108
TRP A 109
LEU A 192
ASP A 218
GLY A 222
TYR A 258
ALA A 312
 D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.77A 5j7wD-1hvyA:
39.0		 5j7wD-1hvyA:
48.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		6 ILE A 108
LEU A 192
LEU A 221
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
None
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 1.05A 5j7wD-1hvyA:
39.0		 5j7wD-1hvyA:
48.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 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)
 0.43A 5j7wD-1j3jC:
35.4		 5j7wD-1j3jC:
37.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 GLU C 382
ASP C 513
LEU C 516
GLY C 517
TYR C 553
 None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.70A 5j7wD-1j3jC:
35.4		 5j7wD-1j3jC:
37.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 GLU C 382
ILE C 403
ASP C 513
GLY C 517
TYR C 553
 None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.95A 5j7wD-1j3jC:
35.4		 5j7wD-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
 1.00A 5j7wD-1mc8A:
0.0		 5j7wD-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.
1nwa PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA

(Mycobacterium
tuberculosis) 		PF01625
(PMSR) 		5 LEU A  68
PHE A  71
TYR A  65
ILE A  56
ALA A   7
 None
 1.03A 5j7wD-1nwaA:
0.0		 5j7wD-1nwaA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pio BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 ILE A  75
GLY A 187
PHE A 186
ILE A 194
ALA A 195
 None
 0.93A 5j7wD-1pioA:
undetectable		 5j7wD-1pioA:
22.94
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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 TRP A 619
GLY A 540
PHE A 589
ILE A 555
ALA A 556
 None
 1.08A 5j7wD-1qgdA:
undetectable		 5j7wD-1qgdA:
18.28
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.
1u3b AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING,
FAMILY A, MEMBER 1

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A 201
LEU A  81
LEU A  93
GLY A  92
ILE A  73
 None
 1.08A 5j7wD-1u3bA:
undetectable		 5j7wD-1u3bA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y0y FRV OPERON PROTEIN
FRVX

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		5 ILE A 273
LEU A 315
PHE A 232
ILE A 260
ALA A 259
 None
 1.07A 5j7wD-1y0yA:
undetectable		 5j7wD-1y0yA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		9 GLU A  79
ILE A 100
TRP A 101
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)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.41A 5j7wD-2aazA:
undetectable		 5j7wD-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.
2btu PHOSPHORIBOSYL-AMINO
IMIDAZOLE SYNTHETASE

(Bacillus
anthracis) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE A 123
LEU A  68
GLY A 155
ILE A 106
ALA A 107
 None
 1.09A 5j7wD-2btuA:
undetectable		 5j7wD-2btuA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 ILE A 559
LEU A 512
LEU A 425
GLY A 424
ALA A 493
 None
 0.94A 5j7wD-2c3oA:
undetectable		 5j7wD-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.
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)
 1.08A 5j7wD-2eq9A:
undetectable		 5j7wD-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.
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 5j7wD-2h2qA:
33.6		 5j7wD-2h2qA:
27.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 295
ILE A 316
TRP A 317
LEU A 400
LEU A 429
GLY A 430
 None
None
None
None
None
DU  A 611 (-3.5A)
 0.96A 5j7wD-2h2qA:
33.6		 5j7wD-2h2qA:
27.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 295
ILE A 316
TRP A 317
LEU A 429
GLY A 430
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.76A 5j7wD-2h2qA:
33.6		 5j7wD-2h2qA:
27.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 316
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.92A 5j7wD-2h2qA:
33.6		 5j7wD-2h2qA:
27.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 316
TRP A 317
GLY A 430
PHE A 433
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 1.04A 5j7wD-2h2qA:
33.6		 5j7wD-2h2qA:
27.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 GLU A 294
ILE A 315
TRP A 316
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)
CB3  A 604 ( 4.4A)
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)
 0.51A 5j7wD-2oipA:
38.4		 5j7wD-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.
2p2v ALPHA-2,3-SIALYLTRAN
SFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 ILE A  19
LEU A 214
LEU A 158
GLY A 159
ILE A 154
 None
 1.08A 5j7wD-2p2vA:
undetectable		 5j7wD-2p2vA:
21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		7 GLU A  60
ILE A  81
TRP A  82
LEU A 195
ASP A 221
GLY A 225
PHE A 228
 None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.91A 5j7wD-2tddA:
42.7		 5j7wD-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 GLU A  60
LEU A 195
ASP A 221
LEU A 224
GLY A 225
PHE A 228
 None
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)
 0.76A 5j7wD-2tddA:
42.7		 5j7wD-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 195
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 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 (-4.7A)
 0.77A 5j7wD-2tddA:
42.7		 5j7wD-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.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 ILE A 214
LEU A  66
ASP A   7
GLY A  12
ALA A  73
 None
None
DGL  A1256 (-3.5A)
None
None
 1.07A 5j7wD-2w4iA:
undetectable		 5j7wD-2w4iA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 5j7wD-3atyA:
undetectable		 5j7wD-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.
3btu GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Saccharomyces
cerevisiae) 		PF01408
(GFO_IDH_MocA) 		5 GLU A 122
LEU A  25
GLY A  24
ILE A  33
ALA A  28
 None
 1.07A 5j7wD-3btuA:
undetectable		 5j7wD-3btuA:
20.36
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.
3d6i MONOTHIOL
GLUTAREDOXIN-3

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin) 		5 ILE A 117
LEU A 140
LEU A  94
PHE A  64
ILE A  60
 None
 1.06A 5j7wD-3d6iA:
undetectable		 5j7wD-3d6iA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A 328
GLY A 279
TYR A 291
ILE A 319
ALA A 265
 None
 1.03A 5j7wD-3i3wA:
undetectable		 5j7wD-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
 0.40A 5j7wD-3ix6A:
34.8		 5j7wD-3ix6A:
41.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
 None
 0.76A 5j7wD-3ix6A:
34.8		 5j7wD-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) 		9 GLU A 285
ILE A 306
TRP A 307
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)
GOL  A 516 (-3.7A)
None
None
None
None
None
None
 0.53A 5j7wD-3kjrA:
38.8		 5j7wD-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.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 294
ASP A 116
LEU A  45
GLY A  44
ILE A 320
 None
 0.90A 5j7wD-3nzgA:
undetectable		 5j7wD-3nzgA:
21.32
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.
3oox PUTATIVE 2OG-FE(II)
OXYGENASE FAMILY
PROTEIN

(Caulobacter
vibrioides) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 ILE A 228
LEU A 145
GLY A 142
ILE A 148
ALA A 149
 None
 1.06A 5j7wD-3ooxA:
undetectable		 5j7wD-3ooxA:
23.28
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.
3qyr ECHA16_2

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 GLU A 171
ILE A 113
LEU A 179
GLY A 180
ILE A  53
 None
 1.00A 5j7wD-3qyrA:
undetectable		 5j7wD-3qyrA:
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.
3qz3 FERRITIN

(Vibrio cholerae) 		PF00210
(Ferritin) 		5 ILE A 143
LEU A  89
GLY A  90
ILE A 160
ALA A 156
 None
 0.86A 5j7wD-3qz3A:
undetectable		 5j7wD-3qz3A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 5j7wD-3rimA:
undetectable		 5j7wD-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.
3s5w L-ORNITHINE
5-MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF13434
(K_oxygenase) 		5 ASP A 184
GLY A 185
PHE A 188
ILE A 329
ALA A 324
 None
 1.04A 5j7wD-3s5wA:
undetectable		 5j7wD-3s5wA:
20.17
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.
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)
 0.43A 5j7wD-3um6A:
35.5		 5j7wD-3um6A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.68A 5j7wD-3um6A:
35.5		 5j7wD-3um6A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 382
LEU A 487
ASP A 513
LEU A 516
GLY A 517
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
 1.05A 5j7wD-3um6A:
35.5		 5j7wD-3um6A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 382
TRP A 404
LEU A 487
LEU A 516
GLY A 517
 None
None
None
None
UMP  A 611 (-3.3A)
 1.05A 5j7wD-3um6A:
35.5		 5j7wD-3um6A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ILE A 238
GLY A 250
PHE A 240
TYR A 260
ILE A 259
 None
GOL  A 472 (-3.5A)
None
None
None
 1.09A 5j7wD-3uw2A:
undetectable		 5j7wD-3uw2A:
20.65
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)
 0.57A 5j7wD-3v8hA:
33.5		 5j7wD-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		6 GLU A  58
TRP A  80
LEU A 189
LEU A 220
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.79A 5j7wD-3v8hA:
33.5		 5j7wD-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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 ILE A  38
LEU A 299
ASP A 121
GLY A  47
ILE A 326
 None
 1.08A 5j7wD-3va8A:
undetectable		 5j7wD-3va8A:
20.71
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		6 LEU A 299
ASP A 121
LEU A  48
GLY A  47
ILE A 326
ALA A 329
 None
 1.23A 5j7wD-3va8A:
undetectable		 5j7wD-3va8A:
20.71
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		6 LEU A 301
ASP A 123
LEU A  50
GLY A  49
ILE A 328
ALA A 331
 None
 1.23A 5j7wD-3vdgA:
undetectable		 5j7wD-3vdgA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5j7wD-3vzxA:
undetectable		 5j7wD-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.
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
 1.05A 5j7wD-3wjoA:
undetectable		 5j7wD-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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 GLU V 893
LEU V 599
ASP V 654
LEU V 631
GLY V 632
 CA  V2431 ( 4.6A)
None
None
None
None
 0.98A 5j7wD-4bxsV:
undetectable		 5j7wD-4bxsV:
13.01
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Thermobispora
bispora) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 LEU A 296
ASP A 118
LEU A  45
GLY A  44
ILE A 323
ALA A 326
 None
 1.21A 5j7wD-4dhgA:
undetectable		 5j7wD-4dhgA:
22.30
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 GLU A  63
LEU A 198
ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.74A 5j7wD-4dq1A:
39.2		 5j7wD-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) 		9 GLU A  58
ILE A  79
TRP A  80
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 ( 3.8A)
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)
 0.48A 5j7wD-4fogA:
39.6		 5j7wD-4fogA:
52.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		6 GLU A  61
ASP A 172
LEU A 175
GLY A 176
PHE A 179
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.70A 5j7wD-4h0uA:
37.5		 5j7wD-4h0uA:
52.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 GLU A  61
ILE A  82
ASP A 172
GLY A 176
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.81A 5j7wD-4h0uA:
37.5		 5j7wD-4h0uA:
52.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 GLU A  61
ILE A  82
TRP A  83
LEU A 146
GLY A 176
 None
None
None
None
UMP  A 301 (-3.6A)
 0.75A 5j7wD-4h0uA:
37.5		 5j7wD-4h0uA:
52.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 GLU A  61
LEU A 146
LEU A 175
GLY A 176
PHE A 179
 None
None
None
UMP  A 301 (-3.6A)
None
 0.87A 5j7wD-4h0uA:
37.5		 5j7wD-4h0uA:
52.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 GLU A  61
TRP A  83
LEU A 146
GLY A 176
PHE A 179
 None
None
None
UMP  A 301 (-3.6A)
None
 0.92A 5j7wD-4h0uA:
37.5		 5j7wD-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.
4h59 IRON-COMPOUND ABC
TRANSPORTER, IRON
COMPOUND-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01497
(Peripla_BP_2) 		5 ASP A 288
LEU A 291
GLY A 292
ILE A 214
ALA A 216
 None
 1.08A 5j7wD-4h59A:
undetectable		 5j7wD-4h59A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Aneurinibacillus
thermoaerophilus) 		PF00483
(NTP_transferase) 		5 GLU A 159
LEU A 195
GLY A  85
ILE A 187
ALA A 184
 G1P  A 301 (-2.8A)
None
THM  A 302 (-3.6A)
None
None
 0.93A 5j7wD-4ho4A:
undetectable		 5j7wD-4ho4A:
23.68
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.
4if5 ALPHA-TUBULIN
N-ACETYLTRANSFERASE

(Homo sapiens) 		PF05301
(Acetyltransf_16) 		5 ILE A  97
LEU A  18
LEU A  80
GLY A  95
ILE A  15
 None
 1.03A 5j7wD-4if5A:
undetectable		 5j7wD-4if5A:
21.45
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 GLU A  89
ILE A 110
LEU A 223
GLY A 224
TYR A 260
 None
D16  A 402 (-4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 0.86A 5j7wD-4iqqA:
35.3		 5j7wD-4iqqA:
43.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 GLU A  89
ILE A 110
TRP A 111
LEU A 223
GLY A 224
 None
D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
 0.76A 5j7wD-4iqqA:
35.3		 5j7wD-4iqqA:
43.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 GLU A  89
TRP A 111
LEU A 194
LEU A 223
GLY A 224
 None
None
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
 0.87A 5j7wD-4iqqA:
35.3		 5j7wD-4iqqA:
43.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 ILE A 110
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 0.88A 5j7wD-4iqqA:
35.3		 5j7wD-4iqqA:
43.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 5j7wD-4ofwA:
undetectable		 5j7wD-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.
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
 1.07A 5j7wD-4qnwA:
undetectable		 5j7wD-4qnwA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnh MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 LEU A1065
LEU A1015
PHE A1061
ILE A1085
ALA A1082
 None
 1.09A 5j7wD-4rnhA:
undetectable		 5j7wD-4rnhA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		7 GLU A  75
ILE A  96
TRP A  97
LEU A 180
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.79A 5j7wD-4xscA:
36.5		 5j7wD-4xscA:
41.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		6 ILE A  96
LEU A 180
ASP A 206
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.88A 5j7wD-4xscA:
36.5		 5j7wD-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 5j7wD-4xuvA:
undetectable		 5j7wD-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.
4yc6 CYCLIN-DEPENDENT
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 149
GLY A 148
PHE A 147
ILE A  52
ALA A  48
 None
 1.06A 5j7wD-4yc6A:
undetectable		 5j7wD-4yc6A:
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 ILE A 143
LEU A 200
ASP A 161
GLY A 135
ILE A 130
 None
None
5D7  A 300 (-2.8A)
5D7  A 300 (-3.5A)
None
 1.06A 5j7wD-5dlyA:
undetectable		 5j7wD-5dlyA:
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.
5eco GLUTATHIONE
S-TRANSFERASE U20

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 ILE B 158
LEU B 135
GLY B 151
PHE B 150
ALA B  99
 None
 1.05A 5j7wD-5ecoB:
undetectable		 5j7wD-5ecoB:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 ILE A  97
LEU A  17
GLY A 172
PHE A 170
ILE A  55
 None
 1.01A 5j7wD-5epdA:
undetectable		 5j7wD-5epdA:
21.07
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 GLU A 111
ILE A 132
TRP A 133
LEU A 216
GLY A 246
TYR A 282
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
None
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.89A 5j7wD-5h3aA:
35.3		 5j7wD-5h3aA:
45.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 ILE A 132
LEU A 216
ASP A 242
GLY A 246
TYR A 282
 D16  A 401 ( 4.0A)
None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 1.08A 5j7wD-5h3aA:
35.3		 5j7wD-5h3aA:
45.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 TRP A 277
ASP A  31
LEU A  34
GLY A  32
ILE A 285
 None
 0.99A 5j7wD-5hm5A:
undetectable		 5j7wD-5hm5A:
16.67
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.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 ILE A 105
LEU A  25
GLY A 178
PHE A 176
ILE A  63
 None
 0.99A 5j7wD-5k1uA:
undetectable		 5j7wD-5k1uA:
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.
5kf2 PREDICTED
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00583
(Acetyltransf_1) 		5 ILE A  81
LEU A 104
ASP A 117
GLY A 115
ILE A  58
 ACO  A 402 (-4.5A)
EDO  A 404 (-4.2A)
None
ACO  A 402 ( 4.7A)
None
 1.04A 5j7wD-5kf2A:
undetectable		 5j7wD-5kf2A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.74A 5j7wD-5t0lA:
38.2		 5j7wD-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) 		8 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.71A 5j7wD-5t0lA:
38.2		 5j7wD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 402
LEU A 486
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 1.08A 5j7wD-5t0lA:
38.2		 5j7wD-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.
5vjt REACTION CENTER
MAQUETTE

(synthetic
construct) 		no annotation 5 GLU A  64
LEU A  30
LEU A 162
GLY A 160
ILE A 165
 ZN  A 202 (-2.3A)
None
None
None
None
 1.08A 5j7wD-5vjtA:
undetectable		 5j7wD-5vjtA:
15.65
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.
5vjt REACTION CENTER
MAQUETTE

(synthetic
construct) 		no annotation 5 GLU A 135
LEU A 157
LEU A  35
GLY A  33
ILE A  38
 ZN  A 202 (-2.3A)
None
None
None
None
 1.07A 5j7wD-5vjtA:
undetectable		 5j7wD-5vjtA:
15.65
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.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		5 ILE A 162
LEU A 174
GLY A 171
PHE A 167
ILE A 155
 None
 1.05A 5j7wD-5vslA:
undetectable		 5j7wD-5vslA:
25.42
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 7 GLU A  58
ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 1.10A 5j7wD-6cdzA:
38.9		 5j7wD-6cdzA:
61.73
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 6 GLU A  58
ILE A  79
TRP A  80
LEU A 143
LEU A 172
GLY A 173
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
 0.91A 5j7wD-6cdzA:
38.9		 5j7wD-6cdzA:
61.73