SIMILAR PATTERNS OF AMINO ACIDS FOR 5X5Q_B_D16B402_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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ASP A 303
LEU A 306
GLY A 302
PHE A 301
TYR A  14
 None
 1.21A 5x5qB-1am5A:
0.0		 5x5qB-1am5A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ASP A  48
LEU A  52
GLY A 239
PHE A 238
ALA A 366
 None
 1.16A 5x5qB-1bs0A:
0.0		 5x5qB-1bs0A:
20.62
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 ASP A 184
GLY A 188
PHE A 191
TYR A 224
ALA A 278
 None
 0.96A 5x5qB-1bsfA:
31.7		 5x5qB-1bsfA:
37.21
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
ASP A 184
GLY A 188
PHE A 191
TYR A 224
 None
 0.52A 5x5qB-1bsfA:
31.7		 5x5qB-1bsfA:
37.21
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
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
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)
CB3  A 768 (-3.8A)
 0.82A 5x5qB-1ci7A:
42.6		 5x5qB-1ci7A:
61.28
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
ASP A 202
LEU A 205
PHE A 209
TYR A 242
THR A 290
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
None
CB3  A 768 (-3.8A)
 0.84A 5x5qB-1ci7A:
42.6		 5x5qB-1ci7A:
61.28
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
ASP A 202
PHE A 209
TYR A 242
THR A 290
MET A 293
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
None
None
CB3  A 768 (-3.8A)
 0.81A 5x5qB-1ci7A:
42.6		 5x5qB-1ci7A:
61.28
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 GLU A  65
ILE A  86
TRP A  87
ASP A 202
GLY A 206
PHE A 209
TYR A 242
MET A 293
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
None
CB3  A 768 (-3.8A)
 0.84A 5x5qB-1ci7A:
42.6		 5x5qB-1ci7A:
61.28
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.
1di6 MOLYBDENUM COFACTOR
BIOSYNTHETIC ENZYME

(Escherichia
coli) 		PF00994
(MoCF_biosynth) 		5 ILE A 158
GLY A 100
PHE A  99
THR A  88
ALA A 114
 None
 1.20A 5x5qB-1di6A:
undetectable		 5x5qB-1di6A:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		7 GLU A  87
ILE A 108
LEU A 221
GLY A 222
PHE A 225
MET A 311
ALA A 312
 D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.99A 5x5qB-1hvyA:
47.1		 5x5qB-1hvyA:
100.00
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 GLU A  87
ILE A 108
PHE A 225
THR A 306
MET A 311
ALA A 312
 D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
D16  A 414 (-3.6A)
None
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.99A 5x5qB-1hvyA:
47.1		 5x5qB-1hvyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		7 GLU A  87
ILE A 108
PHE A 225
TYR A 258
THR A 306
MET A 309
MET A 311
 D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
None
None
D16  A 414 (-3.4A)
 0.71A 5x5qB-1hvyA:
47.1		 5x5qB-1hvyA:
100.00
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 GLU A  87
ILE A 108
TRP A 109
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
MET A 309
MET A 311
 D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
None
D16  A 414 (-3.4A)
 0.49A 5x5qB-1hvyA:
47.1		 5x5qB-1hvyA:
100.00
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.17A 5x5qB-1izeA:
0.0		 5x5qB-1izeA:
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		5 ILE A 698
ASP A 655
GLY A 658
PHE A 661
ALA A 705
 None
 1.02A 5x5qB-1j1wA:
0.0		 5x5qB-1j1wA:
18.70
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		5 ILE A 698
ASP A 655
GLY A 658
PHE A 661
MET A 727
 None
 0.94A 5x5qB-1j1wA:
0.0		 5x5qB-1j1wA:
18.70
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
TYR C 553
MET C 604
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
None
 0.89A 5x5qB-1j3jC:
41.0		 5x5qB-1j3jC:
53.14
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)
 0.73A 5x5qB-1j3jC:
41.0		 5x5qB-1j3jC:
53.14
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)
 0.67A 5x5qB-1j3jC:
41.0		 5x5qB-1j3jC:
53.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jal YCHF PROTEIN

(Haemophilus
influenzae) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 ILE A 205
LEU A 276
GLY A 273
THR A  97
ALA A 231
 None
 1.12A 5x5qB-1jalA:
undetectable		 5x5qB-1jalA:
21.84
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 GLU A 442
ASP A 451
GLY A 464
PHE A 465
ALA A 409
 None
 1.24A 5x5qB-1k32A:
undetectable		 5x5qB-1k32A:
14.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 ASP A 179
LEU A 182
GLY A 183
PHE A 186
TYR A 219
 None
 0.95A 5x5qB-1tisA:
31.0		 5x5qB-1tisA:
43.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 GLU A  58
ASP A 179
GLY A 183
PHE A 186
TYR A 219
 None
 0.69A 5x5qB-1tisA:
31.0		 5x5qB-1tisA:
43.41
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.
1vpl ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 ILE A  94
LEU A 124
GLY A 125
THR A 134
MET A 139
 None
 1.16A 5x5qB-1vplA:
undetectable		 5x5qB-1vplA:
22.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		8 GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 313
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
None
 0.66A 5x5qB-2aazA:
undetectable		 5x5qB-2aazA:
61.84
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) 		6 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.97A 5x5qB-2aazA:
undetectable		 5x5qB-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		8 ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 313
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
None
CB3  A2351 (-3.4A)
 0.76A 5x5qB-2aazA:
undetectable		 5x5qB-2aazA:
61.84
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.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		5 ILE A 694
ASP A 651
GLY A 654
PHE A 657
MET A 723
 None
 1.02A 5x5qB-2b0tA:
undetectable		 5x5qB-2b0tA:
18.74
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.
2bwp 5-AMINOLEVULINATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00155
(Aminotran_1_2) 		5 LEU A 133
GLY A 132
TYR A 136
THR A 125
ALA A 209
 None
 1.23A 5x5qB-2bwpA:
undetectable		 5x5qB-2bwpA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 330
LEU A 185
GLY A 180
PHE A 179
ALA A 284
 None
 1.11A 5x5qB-2cb1A:
undetectable		 5x5qB-2cb1A:
23.81
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.
2cl8 DECTIN-1

(Mus musculus) 		PF00059
(Lectin_C) 		5 GLU A 162
ILE A 157
LEU A 182
GLY A 181
ALA A 198
 CA  A1245 (-2.2A)
None
None
None
None
 1.22A 5x5qB-2cl8A:
undetectable		 5x5qB-2cl8A:
18.07
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.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLU A 441
ILE A 438
LEU A 342
GLY A 341
THR A 267
 None
None
OHT  A 500 ( 4.7A)
None
None
 1.23A 5x5qB-2gpvA:
undetectable		 5x5qB-2gpvA:
22.48
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 GLU A 295
ILE A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.79A 5x5qB-2h2qA:
39.9		 5x5qB-2h2qA:
42.37
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 GLU A 295
ILE A 316
TRP A 317
ASP A 426
PHE A 433
TYR A 466
 None
None
None
None
None
DU  A 611 (-4.6A)
 0.77A 5x5qB-2h2qA:
39.9		 5x5qB-2h2qA:
42.37
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.
2k6g REPLICATION FACTOR C
SUBUNIT 1

(Homo sapiens) 		PF00533
(BRCT) 		5 GLU A 431
ILE A 430
LEU A 410
GLY A 409
THR A 467
 None
 1.18A 5x5qB-2k6gA:
undetectable		 5x5qB-2k6gA:
20.49
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) 		8 GLU A 294
ILE A 315
ASP A 426
LEU A 429
GLY A 430
THR A 514
MET A 517
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
None
None
CB3  A 604 ( 4.0A)
 0.87A 5x5qB-2oipA:
43.4		 5x5qB-2oipA:
38.51
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) 		9 GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
THR A 514
MET A 517
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
None
None
 0.72A 5x5qB-2oipA:
43.4		 5x5qB-2oipA:
38.51
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) 		9 ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
THR A 514
MET A 517
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
None
None
CB3  A 604 ( 3.5A)
 0.81A 5x5qB-2oipA:
43.4		 5x5qB-2oipA:
38.51
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 ILE A 327
ASP A 310
GLY A 322
THR A 357
ALA A 164
 None
FAD  A 403 (-2.7A)
FAD  A 403 (-3.9A)
None
None
 1.20A 5x5qB-2rgjA:
undetectable		 5x5qB-2rgjA:
22.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		5 ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.89A 5x5qB-2tddA:
35.1		 5x5qB-2tddA:
45.09
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) 		5 GLU A  60
ASP A 221
LEU A 224
GLY A 225
TYR A 261
 None
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.83A 5x5qB-2tddA:
35.1		 5x5qB-2tddA:
45.09
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) 		5 GLU A  60
ILE A  81
ASP A 221
GLY A 225
TYR A 261
 None
THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.74A 5x5qB-2tddA:
35.1		 5x5qB-2tddA:
45.09
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.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		5 LEU A 168
GLY A 170
THR A  33
MET A 162
ALA A 161
 None
 1.15A 5x5qB-2w61A:
undetectable		 5x5qB-2w61A:
20.63
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.21A 5x5qB-2wedA:
undetectable		 5x5qB-2wedA:
20.00
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.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ILE A  18
LEU A 154
GLY A 322
TYR A 152
THR A 161
 None
 0.76A 5x5qB-3a31A:
undetectable		 5x5qB-3a31A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLU A 460
ILE A 456
ASP A 362
GLY A 361
PHE A 360
 None
 1.22A 5x5qB-3b0qA:
undetectable		 5x5qB-3b0qA:
22.66
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.
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum) 		PF12146
(Hydrolase_4) 		5 ILE A  28
LEU A 112
GLY A  87
THR A 199
ALA A 235
 None
 1.20A 5x5qB-3e0xA:
undetectable		 5x5qB-3e0xA:
21.28
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 ASP A 304
LEU A 307
GLY A 303
PHE A 302
TYR A  14
 None
 1.15A 5x5qB-3emyA:
undetectable		 5x5qB-3emyA:
19.94
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.
3gr3 NITROREDUCTASE

(Bartonella
henselae) 		PF00881
(Nitroreductase) 		5 ILE A  34
LEU A 134
THR A  56
MET A 197
ALA A 170
 None
None
None
None
FMN  A 230 (-3.6A)
 1.13A 5x5qB-3gr3A:
undetectable		 5x5qB-3gr3A:
24.00
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.
3hx3 RETINALDEHYDE-BINDIN
G PROTEIN 1

(Homo sapiens) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 ILE A 200
LEU A 184
PHE A 235
THR A 193
ALA A 179
 None
 1.23A 5x5qB-3hx3A:
undetectable		 5x5qB-3hx3A:
21.73
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 GLU A  67
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 0.80A 5x5qB-3kgbA:
36.6		 5x5qB-3kgbA:
58.64
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) 		6 ASP A 416
LEU A 419
GLY A 420
TYR A 456
MET A 507
MET A 509
 None
None
None
None
None
GOL  A 516 (-4.0A)
 0.72A 5x5qB-3kjrA:
43.0		 5x5qB-3kjrA:
37.27
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) 		6 GLU A 285
ILE A 306
TRP A 307
LEU A 419
GLY A 420
TYR A 456
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
 0.81A 5x5qB-3kjrA:
43.0		 5x5qB-3kjrA:
37.27
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) 		5 ILE A 306
ASP A 416
LEU A 419
GLY A 420
ALA A 511
 GOL  A 516 (-3.9A)
None
None
None
None
 1.16A 5x5qB-3kjrA:
43.0		 5x5qB-3kjrA:
37.27
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) 		6 ILE A 306
TRP A 307
ASP A 416
LEU A 419
GLY A 420
TYR A 456
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
 0.83A 5x5qB-3kjrA:
43.0		 5x5qB-3kjrA:
37.27
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) 		6 TRP A 307
ASP A 416
LEU A 419
GLY A 420
TYR A 456
MET A 507
 GOL  A 516 (-3.7A)
None
None
None
None
None
 0.78A 5x5qB-3kjrA:
43.0		 5x5qB-3kjrA:
37.27
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.
3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases) 		5 GLU B1436
GLY B1285
PHE B1300
THR B1289
ALA B1071
 None
 1.19A 5x5qB-3myrB:
undetectable		 5x5qB-3myrB:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
TYR A 553
MET A 604
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
None
 0.94A 5x5qB-3um6A:
41.1		 5x5qB-3um6A:
27.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.75A 5x5qB-3um6A:
41.1		 5x5qB-3um6A:
27.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.66A 5x5qB-3um6A:
41.1		 5x5qB-3um6A:
27.77
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
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.79A 5x5qB-3v8hA:
34.6		 5x5qB-3v8hA:
35.87
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.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		5 ILE A  47
LEU A 203
GLY A 204
PHE A 207
ALA A 179
 None
None
None
IPE  A 402 (-4.5A)
None
 1.19A 5x5qB-3wjoA:
undetectable		 5x5qB-3wjoA:
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.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		5 GLU A 365
ILE A  27
TRP A 366
THR A  80
ALA A 398
 None
 1.22A 5x5qB-3wkhA:
undetectable		 5x5qB-3wkhA:
21.62
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
ASP A 224
LEU A 227
GLY A 228
PHE A 231
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 0.71A 5x5qB-4dq1A:
34.9		 5x5qB-4dq1A:
45.76
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 GLU A  63
ILE A  84
ASP A 224
PHE A 231
TYR A 264
 None
None
None
None
UMP  A 501 (-4.2A)
 0.75A 5x5qB-4dq1A:
34.9		 5x5qB-4dq1A:
45.76
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) 		6 GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.61A 5x5qB-4fogA:
37.8		 5x5qB-4fogA:
50.52
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
ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.78A 5x5qB-4h0uA:
36.5		 5x5qB-4h0uA:
47.59
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)
 0.63A 5x5qB-4h0uA:
36.5		 5x5qB-4h0uA:
47.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hp8 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 ILE A 203
ASP A 241
LEU A 140
GLY A 183
THR A 153
 None
 1.22A 5x5qB-4hp8A:
undetectable		 5x5qB-4hp8A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLU B 232
ILE B  29
GLY B 245
MET B 148
ALA B 120
 None
None
None
None
SAM  B 301 (-4.0A)
 1.12A 5x5qB-4htfB:
undetectable		 5x5qB-4htfB:
22.32
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 GLU A  89
ILE A 110
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 0.38A 5x5qB-4iqqA:
42.7		 5x5qB-4iqqA:
62.54
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.
4nph PROBABLE SECRETION
SYSTEM APPARATUS ATP
SYNTHASE SSAN

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		5 ILE A 160
LEU A 325
GLY A 327
THR A 292
ALA A 318
 None
 1.13A 5x5qB-4nphA:
undetectable		 5x5qB-4nphA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxb UREIDOGLYCOLATE
HYDROLASE

(Arabidopsis
thaliana) 		PF01546
(Peptidase_M20) 		5 GLU A 452
ILE A 255
LEU A 253
GLY A 153
ALA A 460
 None
 1.24A 5x5qB-4pxbA:
undetectable		 5x5qB-4pxbA:
21.23
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
ASP A 206
LEU A 209
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.62A 5x5qB-4xscA:
40.6		 5x5qB-4xscA:
69.66
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 GLU A  75
ILE A  96
TRP A  97
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.78A 5x5qB-4xscA:
40.6		 5x5qB-4xscA:
69.66
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.
4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2

(Mycolicibacterium
smegmatis) 		PF03971
(IDH) 		5 ILE A 701
ASP A 658
GLY A 661
PHE A 664
MET A 730
 None
 1.06A 5x5qB-4zdaA:
undetectable		 5x5qB-4zdaA:
17.10
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 GLU A  81
ILE A 102
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.55A 5x5qB-5by6A:
42.6		 5x5qB-5by6A:
64.17
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.
5es2 UNCHARACTERIZED
PROTEIN LPG0634

(Legionella
pneumophila) 		PF16848
(SoDot-IcmSS) 		5 LEU A 307
GLY A 306
TYR A 278
MET A 277
ALA A 274
 None
 1.02A 5x5qB-5es2A:
undetectable		 5x5qB-5es2A:
20.32
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 GLU A 111
ILE A 132
ASP A 242
GLY A 246
PHE A 249
TYR A 282
THR A 330
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
None
 0.58A 5x5qB-5h3aA:
43.6		 5x5qB-5h3aA:
71.73
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 GLU A 111
ILE A 132
TRP A 133
PHE A 249
TYR A 282
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.74A 5x5qB-5h3aA:
43.6		 5x5qB-5h3aA:
71.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.18A 5x5qB-5hctA:
undetectable		 5x5qB-5hctA:
20.05
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) 		7 GLU A  59
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
THR A 308
 None
 0.89A 5x5qB-5j7wA:
34.8		 5x5qB-5j7wA:
48.93
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 GLU A  59
ILE A  80
ASP A 220
PHE A 227
TYR A 260
 None
 0.88A 5x5qB-5j7wA:
34.8		 5x5qB-5j7wA:
48.93
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		5 ILE A 701
ASP A 658
GLY A 661
PHE A 664
MET A 730
 None
 1.08A 5x5qB-5kvuA:
undetectable		 5x5qB-5kvuA:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m04 GTPASE OBGE/CGTA

(Escherichia
coli) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 ILE A 214
LEU A 227
GLY A 228
PHE A 231
ALA A 221
 None
 1.15A 5x5qB-5m04A:
undetectable		 5x5qB-5m04A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		5 ILE A1161
ASP A1072
LEU A1071
GLY A1070
ALA A1015
 None
 1.23A 5x5qB-5msoA:
undetectable		 5x5qB-5msoA:
13.41
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.18A 5x5qB-5p60A:
undetectable		 5x5qB-5p60A:
18.77
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 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 606
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
None
CB3  A 703 (-3.6A)
 0.55A 5x5qB-5t0lA:
44.2		 5x5qB-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) 		8 GLU A 381
ILE A 402
TRP A 403
LEU A 516
GLY A 517
PHE A 520
MET A 606
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
None
CB3  A 703 (-3.8A)
 0.67A 5x5qB-5t0lA:
44.2		 5x5qB-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.
5tzn KILLER CELL
LECTIN-LIKE RECEPTOR
SUBFAMILY B MEMBER
1B ALLELE B

(Mus musculus) 		PF00059
(Lectin_C) 		5 GLU A 137
ILE A 132
LEU A 156
GLY A 155
ALA A 172
 None
 1.19A 5x5qB-5tznA:
undetectable		 5x5qB-5tznA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uzh NAFOA.00085.B

(Naegleria
fowleri) 		PF16363
(GDP_Man_Dehyd) 		5 ILE A 198
ASP A 137
GLY A 138
THR A  99
ALA A 162
 None
None
None
None
NAP  A 402 (-3.3A)
 1.22A 5x5qB-5uzhA:
undetectable		 5x5qB-5uzhA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		5 ILE A 349
ASP A 120
LEU A 380
PHE A 118
ALA A 386
 None
 1.15A 5x5qB-5w70A:
undetectable		 5x5qB-5w70A:
21.35
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) 		6 GLU A  66
ILE A  87
ASP A 177
GLY A 181
PHE A 184
TYR A 217
 PGE  A 301 (-4.1A)
PGE  A 301 ( 4.2A)
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 0.69A 5x5qB-6aujA:
33.9		 5x5qB-6aujA:
51.54
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.
6c66 CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY
CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 5 GLU G 167
ASP A 347
GLY A 345
THR A 395
ALA A 425
 None
 1.14A 5x5qB-6c66G:
undetectable		 5x5qB-6c66G:
14.87
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 5 ILE A  56
ASP A  63
LEU A  62
GLY A  60
ALA A 406
 None
 1.21A 5x5qB-6c93A:
undetectable		 5x5qB-6c93A:
16.73
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 7 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.3A)
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 ( 4.2A)
 0.40A 5x5qB-6cdzA:
37.9		 5x5qB-6cdzA:
49.41
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
ASP A 169
LEU A 172
PHE A 176
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.68A 5x5qB-6cdzA:
37.9		 5x5qB-6cdzA:
49.41
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARC

(Acetobacterium
woodii) 		no annotation 5 GLU C 349
LEU C 203
GLY C 202
THR C 359
ALA C  82
 None
None
None
SO4  C 403 ( 4.2A)
None
 1.10A 5x5qB-6fahC:
undetectable		 5x5qB-6fahC:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g3u -

(-) 		no annotation 5 GLU A 695
ASP A 655
GLY A 658
PHE A 661
TYR A 598
 None
 1.18A 5x5qB-6g3uA:
undetectable		 5x5qB-6g3uA:
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.
6g3u -

(-) 		no annotation 5 ILE A 698
ASP A 655
GLY A 658
PHE A 661
MET A 727
 None
 0.93A 5x5qB-6g3uA:
undetectable		 5x5qB-6g3uA:
undetectable