SIMILAR PATTERNS OF AMINO ACIDS FOR 5X66_C_MTXC402_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
 1.32A 5x66C-1am5A:
0.0		 5x66C-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 ILE A 283
ASP A  48
GLY A 239
PHE A 238
ALA A 367
 None
 1.00A 5x66C-1bs0A:
0.0		 5x66C-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) 		7 ILE A  93
ASP A 184
LEU A 187
GLY A 188
PHE A 191
ASN A 192
TYR A 224
 None
 0.83A 5x66C-1bsfA:
32.2		 5x66C-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) 		6 ILE A  93
LEU A 187
GLY A 188
PHE A 191
TYR A 224
ALA A 278
 None
 1.03A 5x66C-1bsfA:
32.2		 5x66C-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) 		7 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
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)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.56A 5x66C-1ci7A:
42.5		 5x66C-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) 		5 ILE A  86
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.80A 5x66C-1ci7A:
42.5		 5x66C-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.
1dlp LECTIN SCAFET
PRECURSOR

(Hyacinthoides
hispanica) 		PF01453
(B_lectin) 		5 ILE A   3
LEU A  62
GLY A   6
PHE A   5
ALA A  60
 None
 1.38A 5x66C-1dlpA:
undetectable		 5x66C-1dlpA:
19.73
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.
1e33 ARYLSULFATASE A

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 ILE P  26
GLY P 259
ASN P  48
MET P 202
ALA P 199
 None
 1.39A 5x66C-1e33P:
0.0		 5x66C-1e33P:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hux ACTIVATOR OF
(R)-2-HYDROXYGLUTARY
L-COA DEHYDRATASE

(Acidaminococcus
fermentans) 		PF01869
(BcrAD_BadFG) 		5 ILE A  26
LEU A 252
GLY A  89
ASN A 245
ALA A 254
 None
 1.38A 5x66C-1huxA:
undetectable		 5x66C-1huxA:
22.96
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 ILE A 108
ASP A 218
LEU A 221
GLY A 222
PHE A 225
ASN A 226
TYR A 258
MET A 311
ALA A 312
 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 (-3.0A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.49A 5x66C-1hvyA:
47.7		 5x66C-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.
1hyh L-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Weissella
confusa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 216
GLY A 180
PHE A 183
MET A 175
ALA A 173
 None
 1.09A 5x66C-1hyhA:
0.0		 5x66C-1hyhA:
19.29
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.
1ipf TROPINONE
REDUCTASE-II

(Datura
stramonium) 		PF13561
(adh_short_C2) 		5 ILE A 214
ASP A 251
LEU A 254
GLY A 190
ALA A 256
 None
None
None
NDP  A 261 ( 4.9A)
None
 1.42A 5x66C-1ipfA:
undetectable		 5x66C-1ipfA:
22.67
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.32A 5x66C-1izeA:
undetectable		 5x66C-1izeA:
20.46
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
ASP C 513
LEU C 516
GLY C 517
ASN C 521
TYR C 553
 None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-2.8A)
UMP  C 611 (-4.9A)
 0.50A 5x66C-1j3jC:
41.5		 5x66C-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.
1o0s NAD-DEPENDENT MALIC
ENZYME

(Ascaris suum) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ILE A 390
GLY A 404
PHE A 326
TYR A 456
ALA A 446
 None
None
NAI  A 920 (-3.8A)
None
None
 1.43A 5x66C-1o0sA:
undetectable		 5x66C-1o0sA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ohe CDC14B2 PHOSPHATASE

(Homo sapiens) 		PF00782
(DSPc)
PF14671
(DSPn) 		5 ILE A 346
GLY A  90
PHE A 134
ASN A 131
ALA A 168
 None
 1.29A 5x66C-1oheA:
undetectable		 5x66C-1oheA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1prz RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE D

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		5 ASP A 250
LEU A 247
GLY A 249
PHE A 274
TYR A 253
 None
 1.33A 5x66C-1przA:
undetectable		 5x66C-1przA:
21.47
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.
1q33 ADP-RIBOSE
PYROPHOSPHATASE

(Homo sapiens) 		PF00293
(NUDIX) 		5 ILE A 142
GLY A 166
PHE A 124
TYR A 268
ALA A 151
 None
 1.25A 5x66C-1q33A:
undetectable		 5x66C-1q33A:
23.26
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 ASP A 179
LEU A 182
GLY A 183
PHE A 186
ASN A 187
TYR A 219
 None
 0.87A 5x66C-1tisA:
31.1		 5x66C-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.
1z06 RAS-RELATED PROTEIN
RAB-33B

(Mus musculus) 		PF00071
(Ras) 		5 ILE A 129
ASP A  41
GLY A  40
PHE A 112
ALA A 120
 None
 1.41A 5x66C-1z06A:
undetectable		 5x66C-1z06A:
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.
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 ILE A  47
LEU A 360
GLY A 361
ASN A 365
ALA A 221
 None
 1.42A 5x66C-2a2dA:
undetectable		 5x66C-2a2dA:
19.29
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
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 1.01A 5x66C-2aazA:
undetectable		 5x66C-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) 		7 ILE A 100
ASP A 219
LEU A 222
GLY A 223
ASN A 227
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.56A 5x66C-2aazA:
undetectable		 5x66C-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.
2c2l CARBOXY TERMINUS OF
HSP70-INTERACTING
PROTEIN

(Mus musculus) 		PF04564
(U-box)
PF12895
(ANAPC3) 		5 ILE A 236
ASP A 135
GLY A 133
ASN A 131
ALA A 139
 None
 1.28A 5x66C-2c2lA:
undetectable		 5x66C-2c2lA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.12A 5x66C-2cb1A:
undetectable		 5x66C-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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 ILE A 119
ASP A 124
GLY A 176
PHE A 179
ASN A 180
 None
 1.29A 5x66C-2cl2A:
undetectable		 5x66C-2cl2A:
20.88
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 ILE A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
ASN A 434
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-3.0A)
DU  A 611 (-4.6A)
 0.62A 5x66C-2h2qA:
40.0		 5x66C-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.
2hms YUAA PROTEIN

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 ILE A  21
LEU A  14
GLY A  15
PHE A  17
ALA A  44
 None
None
NAI  A 601 (-3.2A)
None
None
 1.25A 5x66C-2hmsA:
undetectable		 5x66C-2hmsA:
18.37
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.
2hms YUAA PROTEIN

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 ILE A  75
LEU A  14
GLY A  19
PHE A  17
ALA A  49
 None
 1.39A 5x66C-2hmsA:
undetectable		 5x66C-2hmsA:
18.37
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.
2hms YUAA PROTEIN

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 ILE A  75
LEU A  14
GLY A  19
PHE A  17
ALA A  52
 None
 1.11A 5x66C-2hmsA:
undetectable		 5x66C-2hmsA:
18.37
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.
2huf ALANINE GLYOXYLATE
AMINOTRANSFERASE

(Aedes aegypti) 		PF00266
(Aminotran_5) 		5 ILE A 343
LEU A 299
PHE A 355
TYR A 296
ALA A 292
 None
 1.33A 5x66C-2hufA:
undetectable		 5x66C-2hufA:
23.97
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) 		7 ILE A 315
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 1.13A 5x66C-2oipA:
43.3		 5x66C-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) 		8 ILE A 315
ASP A 426
LEU A 429
GLY A 430
ASN A 434
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.55A 5x66C-2oipA:
43.3		 5x66C-2oipA:
38.51
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 ILE A  81
ASP A 221
LEU A 224
GLY A 225
PHE A 228
ASN A 229
TYR A 261
 THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
UFP  A 529 (-4.7A)
 1.13A 5x66C-2tddA:
35.2		 5x66C-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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.33A 5x66C-2wedA:
undetectable		 5x66C-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.
3bxp PUTATIVE
LIPASE/ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		5 ILE A  39
GLY A 119
PHE A 115
TYR A  82
ALA A  85
 None
 1.42A 5x66C-3bxpA:
undetectable		 5x66C-3bxpA:
24.12
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 ASP A   4
GLY A 256
ASN A 224
TYR A  35
ALA A  27
 None
 1.33A 5x66C-3dcpA:
undetectable		 5x66C-3dcpA:
19.93
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.
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
 1.26A 5x66C-3emyA:
undetectable		 5x66C-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.
3fd2 SITE-SPECIFIC DNA
ENDONUCLEASE I-MSOI

(Monomastix sp.
OKE-1) 		PF00961
(LAGLIDADG_1) 		5 ILE A  61
GLY A  23
PHE A  18
TYR A  26
ALA A  45
 None
 1.03A 5x66C-3fd2A:
undetectable		 5x66C-3fd2A:
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.
3fd2 SITE-SPECIFIC DNA
ENDONUCLEASE I-MSOI

(Monomastix sp.
OKE-1) 		PF00961
(LAGLIDADG_1) 		5 ILE A 264
GLY A 226
PHE A 221
TYR A 229
ALA A 248
 None
 1.02A 5x66C-3fd2A:
undetectable		 5x66C-3fd2A:
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.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 139
ASP A 129
LEU A 134
GLY A 132
ASN A 162
 None
 1.40A 5x66C-3g1uA:
undetectable		 5x66C-3g1uA:
20.99
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
ASN A 177
TYR A 209
 None
 0.34A 5x66C-3ix6A:
33.7		 5x66C-3ix6A:
41.32
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 ILE A  79
ASP A 169
GLY A 173
ASN A 177
TYR A 209
 None
 0.64A 5x66C-3ix6A:
33.7		 5x66C-3ix6A:
41.32
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.
3k11 PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF07470
(Glyco_hydro_88) 		5 ILE A 198
ASP A 223
LEU A 164
GLY A 227
ALA A 210
 None
 1.38A 5x66C-3k11A:
undetectable		 5x66C-3k11A:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		6 ASP A 197
LEU A 200
GLY A 201
PHE A 204
ASN A 205
TYR A 237
 None
 0.85A 5x66C-3kgbA:
36.7		 5x66C-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
ASN A 424
TYR A 456
MET A 509
 None
None
None
None
None
GOL  A 516 (-4.0A)
 0.38A 5x66C-3kjrA:
42.8		 5x66C-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
ASP A 416
LEU A 419
GLY A 420
ASN A 424
TYR A 456
 GOL  A 516 (-3.9A)
None
None
None
None
None
 0.73A 5x66C-3kjrA:
42.8		 5x66C-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.
3lk7 UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Streptococcus
agalactiae) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 352
GLY A 438
PHE A 441
ASN A 327
ALA A 426
 None
 1.23A 5x66C-3lk7A:
undetectable		 5x66C-3lk7A:
19.00
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.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 ILE A  90
LEU A  76
GLY A  73
PHE A  77
ALA A  99
 None
 1.39A 5x66C-3lkiA:
undetectable		 5x66C-3lkiA:
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.
3mip MSO-8G

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		5 ILE A  61
GLY A  23
PHE A  18
TYR A  26
ALA A  45
 None
 1.03A 5x66C-3mipA:
undetectable		 5x66C-3mipA:
17.67
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.
3n9v TYPE II
INOSITOL-1,4,5-TRISP
HOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 ILE A 418
ASP A 447
GLY A 446
ASN A 398
ALA A 403
 None
 1.16A 5x66C-3n9vA:
undetectable		 5x66C-3n9vA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 302
LEU A 350
PHE A 335
MET A 105
ALA A 106
 None
 1.23A 5x66C-3ritA:
undetectable		 5x66C-3ritA:
21.81
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.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 302
LEU A 352
GLY A 333
PHE A 335
TYR A 354
 None
 1.39A 5x66C-3ritA:
undetectable		 5x66C-3ritA:
21.81
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.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ILE A 315
LEU A 369
GLY A 368
MET A 376
ALA A 377
 None
 1.43A 5x66C-3sqgA:
undetectable		 5x66C-3sqgA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 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
ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.55A 5x66C-3um6A:
41.6		 5x66C-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 ASP A 217
LEU A 220
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.62A 5x66C-3v8hA:
34.6		 5x66C-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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		5 ILE A 263
ASP A 302
GLY A 301
PHE A 304
ALA A 167
 None
ADN  A 401 (-2.9A)
None
None
CL  A 402 ( 4.2A)
 1.33A 5x66C-3vasA:
undetectable		 5x66C-3vasA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 ASP A  87
LEU A  90
GLY A  91
PHE A  94
ALA A  35
 None
 1.42A 5x66C-3x0yA:
undetectable		 5x66C-3x0yA:
20.43
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.
4a5z MIT
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF16565
(MIT_C) 		5 ILE A 205
ASP A 243
GLY A 202
PHE A 199
ASN A 201
 None
 1.32A 5x66C-4a5zA:
undetectable		 5x66C-4a5zA:
19.72
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) 		7 ILE A  84
ASP A 224
LEU A 227
GLY A 228
PHE A 231
ASN A 232
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.56A 5x66C-4dq1A:
35.1		 5x66C-4dq1A:
45.76
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.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE

(Oceanicola
granulosus) 		PF00294
(PfkB) 		5 ILE A 276
ASP A 264
GLY A 261
PHE A 258
ALA A 268
 None
 1.13A 5x66C-4e69A:
undetectable		 5x66C-4e69A:
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.
4eg2 CYTIDINE DEAMINASE

(Vibrio cholerae) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 ILE A 122
GLY A  74
ASN A 125
TYR A  63
ALA A  31
 None
 1.36A 5x66C-4eg2A:
undetectable		 5x66C-4eg2A:
22.46
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.
4eie CYTOCHROME C6

(Synechococcus
sp. PCC 7002) 		PF13442
(Cytochrome_CBB3) 		5 ILE A  24
LEU A  31
GLY A  21
ASN A  20
ALA A  35
 None
HEM  A 101 (-4.2A)
None
None
HEM  A 101 (-3.4A)
 1.42A 5x66C-4eieA:
undetectable		 5x66C-4eieA:
11.85
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 ILE A  79
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.93A 5x66C-4fogA:
37.9		 5x66C-4fogA:
50.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3a CLIP-ASSOCIATING
PROTEIN

(Drosophila
melanogaster) 		PF12348
(CLASP_N) 		5 ILE A  96
ASP A 101
GLY A 100
ASN A 141
ALA A  66
 None
 1.21A 5x66C-4g3aA:
undetectable		 5x66C-4g3aA:
22.59
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) 		6 ILE A  82
ASP A 172
LEU A 175
GLY A 176
ASN A 180
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-3.0A)
UMP  A 301 (-4.5A)
 0.61A 5x66C-4h0uA:
37.0		 5x66C-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.
4huc PROBABLE CONSERVED
LIPOPROTEIN LPPS

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ILE A 374
ASP A 389
LEU A 391
GLY A 392
ASN A 395
 None
 1.05A 5x66C-4hucA:
undetectable		 5x66C-4hucA:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		7 ILE A 110
ASP A 220
LEU A 223
GLY A 224
PHE A 227
ASN A 228
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 (-3.2A)
UMP  A 401 (-3.3A)
D16  A 402 ( 4.2A)
 0.61A 5x66C-4iqqA:
43.1		 5x66C-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.
4l0c DEFORMYLASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		5 ILE A  31
LEU A  71
GLY A 185
MET A  74
ALA A  73
 None
 1.16A 5x66C-4l0cA:
undetectable		 5x66C-4l0cA:
23.17
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.
4qtf L,D-TRANSPEPTIDASE
LDTB

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ILE A 374
ASP A 389
LEU A 391
GLY A 392
ASN A 395
 None
 1.01A 5x66C-4qtfA:
undetectable		 5x66C-4qtfA:
19.61
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.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 ASP A 511
LEU A 597
GLY A 512
TYR A 509
ALA A 557
 None
 1.37A 5x66C-4rt6A:
undetectable		 5x66C-4rt6A:
15.16
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ASP A 513
GLY A 230
ASN A 228
TYR A 480
ALA A 509
 None
 1.29A 5x66C-4uozA:
undetectable		 5x66C-4uozA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xeb GLUCANASE

(Talaromyces
funiculosus) 		PF00840
(Glyco_hydro_7) 		5 ILE A  84
LEU A 370
GLY A 102
ASN A 100
ALA A 140
 None
None
None
CE6  A 505 (-3.6A)
CE6  A 505 ( 4.7A)
 1.37A 5x66C-4xebA:
undetectable		 5x66C-4xebA:
18.37
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 ILE A  96
ASP A 206
LEU A 209
GLY A 210
PHE A 213
ASN A 214
TYR A 246
 1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 0.39A 5x66C-4xscA:
40.9		 5x66C-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.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		5 ILE A 282
GLY A 290
PHE A 293
ASN A 314
ALA A 256
 None
MPG  A 404 ( 4.9A)
None
None
ST9  A 403 ( 4.1A)
 1.39A 5x66C-4ymkA:
undetectable		 5x66C-4ymkA:
19.09
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.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
purpureum) 		PF00840
(Glyco_hydro_7) 		5 ILE A  83
LEU A 372
GLY A 104
ASN A 102
ALA A 142
 None
 1.33A 5x66C-4zzpA:
undetectable		 5x66C-4zzpA:
19.58
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 5 ASP A 330
GLY A 331
PHE A 305
MET A 373
ALA A 375
 None
 1.34A 5x66C-5ah0A:
undetectable		 5x66C-5ah0A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		5 ILE A  84
LEU A 370
GLY A 105
ASN A 103
ALA A 143
 None
 1.38A 5x66C-5ampA:
undetectable		 5x66C-5ampA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
 None
 1.12A 5x66C-5bs5A:
undetectable		 5x66C-5bs5A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 ILE A  21
LEU A  14
GLY A  15
PHE A  17
ALA A  44
 None
 1.23A 5x66C-5butA:
undetectable		 5x66C-5butA:
20.77
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 ILE A 163
LEU A 156
GLY A 157
PHE A 159
ALA A 186
 None
 1.24A 5x66C-5butA:
undetectable		 5x66C-5butA:
20.77
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) 		7 ILE A 102
ASP A 212
LEU A 215
GLY A 216
PHE A 219
ASN A 220
TYR A 252
 DTT  A 402 ( 4.3A)
None
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-3.2A)
UMP  A 401 (-4.6A)
 0.52A 5x66C-5by6A:
43.1		 5x66C-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.
5dud YBGJ
YBGK

(Escherichia
coli) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 ILE A  26
LEU B 130
GLY B 135
PHE B 192
TYR B 138
 None
 1.33A 5x66C-5dudA:
undetectable		 5x66C-5dudA:
21.35
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.
5fo1 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBF

(Corynebacterium
ammoniagenes) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 ILE A  21
LEU A  34
GLY A 123
PHE A 126
ALA A  37
 None
 1.41A 5x66C-5fo1A:
undetectable		 5x66C-5fo1A:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		6 ILE A 132
ASP A 242
GLY A 246
PHE A 249
ASN A 250
TYR A 282
 D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
UMP  A 402 (-4.5A)
 0.34A 5x66C-5h3aA:
44.0		 5x66C-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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 5 ILE C 290
LEU C 298
GLY C 296
PHE C 295
ASN C 368
 None
None
None
None
SFG  C1002 (-4.1A)
 1.39A 5x66C-5hr4C:
undetectable		 5x66C-5hr4C:
14.36
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.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		5 ILE A 215
ASP A 126
GLY A 125
PHE A 128
ALA A 139
 None
 1.43A 5x66C-5i84A:
undetectable		 5x66C-5i84A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ioo AVPA

(Nanoarchaeota
archaeon JGI
OTU-1) 		no annotation 5 ILE A 131
LEU A 194
GLY A 193
ASN A 192
ALA A 152
 None
 1.34A 5x66C-5iooA:
undetectable		 5x66C-5iooA:
21.82
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 ILE A  80
ASP A 220
LEU A 223
GLY A 224
PHE A 227
ASN A 228
TYR A 260
 None
 0.68A 5x66C-5j7wA:
35.1		 5x66C-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.
5k69 L,D-TRANSPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ILE A 374
ASP A 389
LEU A 391
GLY A 392
ASN A 395
 None
 1.03A 5x66C-5k69A:
undetectable		 5x66C-5k69A:
19.71
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.
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
 1.23A 5x66C-5m04A:
undetectable		 5x66C-5m04A:
21.45
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) 		9 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.56A 5x66C-5t0lA:
44.4		 5x66C-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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 ILE A 649
LEU A 627
PHE A 617
MET A 593
ALA A 592
 None
 0.94A 5x66C-5xdrA:
undetectable		 5x66C-5xdrA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ILE B 910
ASP B 896
LEU B 898
GLY B 897
ALA B 900
 None
 1.35A 5x66C-5xogB:
undetectable		 5x66C-5xogB:
13.26
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 ILE A 442
LEU A 487
GLY A 486
PHE A 485
ALA A 390
 None
 1.18A 5x66C-5z5dA:
undetectable		 5x66C-5z5dA:
13.99
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 ASP A 177
LEU A 180
GLY A 181
PHE A 184
ASN A 185
TYR A 217
 None
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
PGE  A 301 ( 4.9A)
None
 0.59A 5x66C-6aujA:
34.2		 5x66C-6aujA:
51.54
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
GLY A 181
PHE A 184
ASN A 185
TYR A 217
 PGE  A 301 ( 4.2A)
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
PGE  A 301 ( 4.9A)
None
 0.52A 5x66C-6aujA:
34.2		 5x66C-6aujA:
51.54
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 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.47A 5x66C-6cdzA:
38.0		 5x66C-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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT E
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G

(Pyrococcus
furiosus) 		no annotation 5 ILE C  47
LEU A 118
ASN C  87
MET A  76
ALA A  79
 None
 1.34A 5x66C-6cfwC:
undetectable		 5x66C-6cfwC:
13.65
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 5 ILE A 239
ASP A 254
LEU A  75
GLY A  74
ALA A 270
 None
 1.33A 5x66C-6etiA:
undetectable		 5x66C-6etiA:
15.58