SIMILAR PATTERNS OF AMINO ACIDS FOR 5X66_A_MTXA402_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.
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 5x66A-1bs0A:
0.0
5x66B-1bs0A:
0.0		 5x66A-1bs0A:
20.62
5x66B-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) 		6 ILE A  93
ASP A 184
GLY A 188
PHE A 191
ASN A 192
TYR A 224
 None
 0.77A 5x66A-1bsfA:
32.3
5x66B-1bsfA:
32.3		 5x66A-1bsfA:
37.21
5x66B-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
ASP A 184
LEU A 187
GLY A 188
PHE A 191
ASN A 192
 None
 0.76A 5x66A-1bsfA:
32.3
5x66B-1bsfA:
32.3		 5x66A-1bsfA:
37.21
5x66B-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 ILE A  93
GLY A 188
PHE A 191
TYR A 224
ALA A 278
 None
 0.89A 5x66A-1bsfA:
32.3
5x66B-1bsfA:
32.3		 5x66A-1bsfA:
37.21
5x66B-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 ILE A  93
LEU A 187
GLY A 188
PHE A 191
ALA A 278
 None
 1.08A 5x66A-1bsfA:
32.3
5x66B-1bsfA:
32.3		 5x66A-1bsfA:
37.21
5x66B-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 PHE A  58
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 ( 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)
 0.65A 5x66A-1ci7A:
42.7
5x66B-1ci7A:
12.7		 5x66A-1ci7A:
61.28
5x66B-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) 		7 PHE A  58
ILE A  86
LEU A 205
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.88A 5x66A-1ci7A:
42.7
5x66B-1ci7A:
12.7		 5x66A-1ci7A:
61.28
5x66B-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.
1d7e PHOTOACTIVE YELLOW
PROTEIN

(Halorhodospira
halophila) 		PF00989
(PAS) 		5 ILE A  31
ASP A  34
GLY A  37
PHE A  62
ASP A  53
 None
None
None
HC4  A 126 (-4.7A)
None
 1.11A 5x66A-1d7eA:
undetectable
5x66B-1d7eA:
0.0		 5x66A-1d7eA:
20.45
5x66B-1d7eA:
20.45
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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 ARG C 161
ASP C 475
ASN C 330
TYR C 468
ALA A  59
 ACT  C1606 (-2.9A)
None
None
None
None
 1.17A 5x66A-1d7wC:
0.0
5x66B-1d7wC:
undetectable		 5x66A-1d7wC:
20.74
5x66B-1d7wC:
20.74
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.
1htw HI0065

(Haemophilus
influenzae) 		PF02367
(TsaE) 		5 ILE A  24
ASP A 126
LEU A 148
GLY A 149
ALA A  33
 None
 0.93A 5x66A-1htwA:
0.0
5x66B-1htwA:
0.0		 5x66A-1htwA:
19.93
5x66B-1htwA:
19.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		10 PHE A  80
ILE A 108
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 (-3.7A)
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)
 0.64A 5x66A-1hvyA:
47.4
5x66B-1hvyA:
47.7		 5x66A-1hvyA:
100.00
5x66B-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
 1.12A 5x66A-1hyhA:
0.0
5x66B-1hyhA:
0.0		 5x66A-1hyhA:
19.29
5x66B-1hyhA:
19.29
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)
 0.43A 5x66A-1j3jC:
41.5
5x66B-1j3jC:
12.4		 5x66A-1j3jC:
53.14
5x66B-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.
1k4y LIVER
CARBOXYLESTERASE

(Oryctolagus
cuniculus) 		PF00135
(COesterase) 		5 ASP A 182
GLY A 181
ASN A 259
ALA A 279
ASP A 193
 None
 1.17A 5x66A-1k4yA:
undetectable
5x66B-1k4yA:
undetectable		 5x66A-1k4yA:
20.11
5x66B-1k4yA:
20.11
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.
1pw5 NAGD PROTEIN,
PUTATIVE

(Thermotoga
maritima) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ARG A 175
ILE A  90
ASP A 122
LEU A  93
GLY A 120
 None
 1.17A 5x66A-1pw5A:
undetectable
5x66B-1pw5A:
undetectable		 5x66A-1pw5A:
22.78
5x66B-1pw5A:
22.78
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
 0.80A 5x66A-1tisA:
31.0
5x66B-1tisA:
31.0		 5x66A-1tisA:
43.41
5x66B-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.
2a4v PEROXIREDOXIN DOT5

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA) 		5 ILE A  82
LEU A 130
GLY A 129
PHE A 128
ALA A 132
 None
 1.03A 5x66A-2a4vA:
undetectable
5x66B-2a4vA:
undetectable		 5x66A-2a4vA:
18.49
5x66B-2a4vA:
18.49
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)
 0.58A 5x66A-2aazA:
undetectable
5x66B-2aazA:
undetectable		 5x66A-2aazA:
61.84
5x66B-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 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 1.06A 5x66A-2aazA:
undetectable
5x66B-2aazA:
undetectable		 5x66A-2aazA:
61.84
5x66B-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 PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.69A 5x66A-2aazA:
undetectable
5x66B-2aazA:
undetectable		 5x66A-2aazA:
61.84
5x66B-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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		6 LEU A 185
GLY A 180
PHE A 179
TYR A   3
ALA A 280
ASP A 314
 None
 1.42A 5x66A-2cb1A:
undetectable
5x66B-2cb1A:
undetectable		 5x66A-2cb1A:
23.81
5x66B-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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum) 		PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929) 		5 ILE A   9
LEU A  68
GLY A  67
ASN A  66
ASP A  58
 None
 1.18A 5x66A-2eidA:
undetectable
5x66B-2eidA:
undetectable		 5x66A-2eidA:
16.64
5x66B-2eidA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		5 ILE A 351
LEU A 400
PHE A 402
MET A 294
ASP A 283
 None
 1.07A 5x66A-2h1nA:
undetectable
5x66B-2h1nA:
undetectable		 5x66A-2h1nA:
18.18
5x66B-2h1nA:
18.18
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) 		8 PHE A 288
ILE A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
ASN A 434
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-3.0A)
DU  A 611 (-4.6A)
 0.59A 5x66A-2h2qA:
40.2
5x66B-2h2qA:
17.1		 5x66A-2h2qA:
42.37
5x66B-2h2qA:
42.37
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 5x66A-2oipA:
43.1
5x66B-2oipA:
20.0		 5x66A-2oipA:
38.51
5x66B-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) 		6 ILE A  81
ASP A 221
GLY A 225
PHE A 228
ASN A 229
TYR A 261
 THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
UFP  A 529 (-4.7A)
 1.20A 5x66A-2tddA:
35.1
5x66B-2tddA:
35.3		 5x66A-2tddA:
45.09
5x66B-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) 		6 ILE A  81
ASP A 221
LEU A 224
GLY A 225
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)
UFP  A 529 (-3.7A)
UFP  A 529 (-4.7A)
 0.49A 5x66A-2tddA:
35.1
5x66B-2tddA:
35.3		 5x66A-2tddA:
45.09
5x66B-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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A  69
GLY A  22
PHE A  21
ASN A  46
ASP A  40
 LEU  A  69 ( 0.5A)
GLY  A  22 ( 0.0A)
PHE  A  21 ( 1.3A)
ASN  A  46 ( 0.6A)
ASP  A  40 ( 0.6A)
 1.13A 5x66A-2vbfA:
undetectable
5x66B-2vbfA:
undetectable		 5x66A-2vbfA:
19.89
5x66B-2vbfA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 LEU A 549
GLY A 546
ASN A 545
TYR A 152
ALA A 554
 None
 1.19A 5x66A-2wk2A:
undetectable
5x66B-2wk2A:
undetectable		 5x66A-2wk2A:
20.83
5x66B-2wk2A:
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.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 ILE A  58
LEU A  84
TYR A 145
ALA A  67
ASP A  20
 None
 1.05A 5x66A-2xaxA:
undetectable
5x66B-2xaxA:
undetectable		 5x66A-2xaxA:
17.56
5x66B-2xaxA:
17.56
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 ILE A 351
LEU A 400
PHE A 402
MET A 294
ASP A 283
 None
 1.09A 5x66A-3ahmA:
undetectable
5x66B-3ahmA:
undetectable		 5x66A-3ahmA:
19.72
5x66B-3ahmA:
19.72
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ASP A 258
GLY A 254
ASN A 290
ALA A 213
ASP A 202
 None
 0.93A 5x66A-3ak5A:
undetectable
5x66B-3ak5A:
undetectable		 5x66A-3ak5A:
13.37
5x66B-3ak5A:
13.37
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.
3b5i S-ADENOSYL-L-METHION
INE:SALICYLIC ACID
CARBOXYL
METHYLTRANSFERASE-LI
KE PROTEIN

(Arabidopsis
thaliana) 		PF03492
(Methyltransf_7) 		5 ILE A 270
GLY A 267
PHE A 268
ALA A 177
ASP A 249
 None
 1.10A 5x66A-3b5iA:
undetectable
5x66B-3b5iA:
undetectable		 5x66A-3b5iA:
20.92
5x66B-3b5iA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eez PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 133
GLY A 263
PHE A 290
ALA A 254
ASP A 313
 None
 1.14A 5x66A-3eezA:
undetectable
5x66B-3eezA:
undetectable		 5x66A-3eezA:
21.99
5x66B-3eezA:
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.
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
 1.05A 5x66A-3fd2A:
undetectable
5x66B-3fd2A:
undetectable		 5x66A-3fd2A:
21.67
5x66B-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
 1.03A 5x66A-3fd2A:
undetectable
5x66B-3fd2A:
undetectable		 5x66A-3fd2A:
21.67
5x66B-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.
3fz4 PUTATIVE ARSENATE
REDUCTASE

(Streptococcus
mutans) 		PF03960
(ArsC) 		5 PHE A  56
ILE A  42
ASP A  88
LEU A  91
GLY A  89
 None
 1.14A 5x66A-3fz4A:
undetectable
5x66B-3fz4A:
undetectable		 5x66A-3fz4A:
17.81
5x66B-3fz4A:
17.81
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
 0.29A 5x66A-3ix6A:
33.7
5x66B-3ix6A:
33.7		 5x66A-3ix6A:
41.32
5x66B-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
 0.62A 5x66A-3ix6A:
33.7
5x66B-3ix6A:
33.7		 5x66A-3ix6A:
41.32
5x66B-3ix6A:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		6 PHE A  60
ASP A 197
LEU A 200
GLY A 201
ASN A 205
TYR A 237
 None
 0.84A 5x66A-3kgbA:
36.8
5x66B-3kgbA:
36.7		 5x66A-3kgbA:
58.64
5x66B-3kgbA:
58.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		6 PHE A  60
LEU A 200
GLY A 201
PHE A 204
ASN A 205
TYR A 237
 None
 0.58A 5x66A-3kgbA:
36.8
5x66B-3kgbA:
36.7		 5x66A-3kgbA:
58.64
5x66B-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)
 0.33A 5x66A-3kjrA:
42.7
5x66B-3kjrA:
12.6		 5x66A-3kjrA:
37.27
5x66B-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
GLY A 420
ASN A 424
TYR A 456
 GOL  A 516 (-3.9A)
None
None
None
None
 0.76A 5x66A-3kjrA:
42.7
5x66B-3kjrA:
12.6		 5x66A-3kjrA:
37.27
5x66B-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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		5 ARG A 588
PHE A 389
LEU A 398
GLY A 394
MET A 376
 None
 0.85A 5x66A-3mc2A:
undetectable
5x66B-3mc2A:
undetectable		 5x66A-3mc2A:
17.69
5x66B-3mc2A:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 5x66A-3mipA:
undetectable
5x66B-3mipA:
undetectable		 5x66A-3mipA:
17.67
5x66B-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
 1.13A 5x66A-3n9vA:
undetectable
5x66B-3n9vA:
undetectable		 5x66A-3n9vA:
19.88
5x66B-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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F

(Bacillus
anthracis) 		no annotation 5 ILE A 351
LEU A 400
PHE A 402
MET A 294
ASP A 283
 None
 1.17A 5x66A-3sksA:
undetectable
5x66B-3sksA:
undetectable		 5x66A-3sksA:
18.61
5x66B-3sksA:
18.61
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.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 LEU A 107
GLY A 106
PHE A 105
ALA A 109
ASP A  80
 None
 1.04A 5x66A-3smtA:
undetectable
5x66B-3smtA:
undetectable		 5x66A-3smtA:
21.91
5x66B-3smtA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.43A 5x66A-3um6A:
41.6
5x66B-3um6A:
18.9		 5x66A-3um6A:
27.77
5x66B-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.
3uy4 PANTOTHENATE
SYNTHETASE

(Campylobacter
jejuni) 		PF02569
(Pantoate_ligase) 		5 ILE A 175
ASP A 179
LEU A 181
GLY A 180
ASP A 149
 AMP  A 301 (-4.2A)
None
None
None
PAU  A 302 ( 3.7A)
 1.03A 5x66A-3uy4A:
undetectable
5x66B-3uy4A:
undetectable		 5x66A-3uy4A:
22.46
5x66B-3uy4A:
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.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 ARG A 254
GLY A 262
PHE A 261
ASN A 471
ALA A 155
 None
 1.11A 5x66A-3v4cA:
undetectable
5x66B-3v4cA:
undetectable		 5x66A-3v4cA:
21.34
5x66B-3v4cA:
21.34
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 5x66A-3v8hA:
34.6
5x66B-3v8hA:
20.2		 5x66A-3v8hA:
35.87
5x66B-3v8hA:
35.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		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)
 0.50A 5x66A-4dq1A:
34.8
5x66B-4dq1A:
24.0		 5x66A-4dq1A:
45.76
5x66B-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
 1.15A 5x66A-4e69A:
undetectable
5x66B-4e69A:
undetectable		 5x66A-4e69A:
20.17
5x66B-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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		5 GLY A 116
PHE A 115
ASN A 203
ALA A  66
ASP A 106
 None
 1.18A 5x66A-4f0qA:
undetectable
5x66B-4f0qA:
undetectable		 5x66A-4f0qA:
19.73
5x66B-4f0qA:
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.
4fd2 CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 PHE A 733
ILE A 751
LEU A 710
GLY A 711
ALA A 668
 None
 0.96A 5x66A-4fd2A:
undetectable
5x66B-4fd2A:
undetectable		 5x66A-4fd2A:
20.92
5x66B-4fd2A:
20.92
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)
 0.96A 5x66A-4fogA:
37.7
5x66B-4fogA:
37.9		 5x66A-4fogA:
50.52
5x66B-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.
4g1g MATRIX PROTEIN

(Avian
avulavirus 1) 		PF00661
(Matrix) 		5 ARG A  42
ILE A 304
LEU A 279
GLY A 269
ALA A 300
 None
 1.12A 5x66A-4g1gA:
undetectable
5x66B-4g1gA:
undetectable		 5x66A-4g1gA:
21.71
5x66B-4g1gA:
21.71
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ILE B 610
GLY B 551
MET B 637
ALA B 636
ASP B 619
 None
NI  B 902 ( 4.9A)
CME  B 592 ( 4.9A)
CME  B 592 ( 3.9A)
None
 1.17A 5x66A-4g7eB:
undetectable
5x66B-4g7eB:
undetectable		 5x66A-4g7eB:
16.96
5x66B-4g7eB:
16.96
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		5 PHE A 159
ILE A 154
ASP A 179
GLY A 180
PHE A 182
 None
 1.16A 5x66A-4gt6A:
undetectable
5x66B-4gt6A:
undetectable		 5x66A-4gt6A:
23.11
5x66B-4gt6A:
23.11
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)
 0.51A 5x66A-4h0uA:
36.8
5x66B-4h0uA:
36.9		 5x66A-4h0uA:
47.59
5x66B-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
 1.04A 5x66A-4hucA:
undetectable
5x66B-4hucA:
undetectable		 5x66A-4hucA:
20.06
5x66B-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) 		5 ASP A 220
LEU A 223
GLY A 224
ASN A 228
TYR A 260
 D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
D16  A 402 ( 4.2A)
 0.79A 5x66A-4iqqA:
43.3
5x66B-4iqqA:
13.2		 5x66A-4iqqA:
62.54
5x66B-4iqqA:
62.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		6 ILE A 110
ASP A 220
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 ( 3.1A)
D16  A 402 (-3.2A)
UMP  A 401 (-3.3A)
D16  A 402 ( 4.2A)
 0.38A 5x66A-4iqqA:
43.3
5x66B-4iqqA:
13.2		 5x66A-4iqqA:
62.54
5x66B-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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		5 PHE A 250
ILE A 252
LEU A 116
GLY A 117
ALA A  47
 None
 1.08A 5x66A-4ixuA:
undetectable
5x66B-4ixuA:
undetectable		 5x66A-4ixuA:
22.09
5x66B-4ixuA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k46 ADENYLATE KINASE

(Photobacterium
profundum) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 PHE A 196
ILE A 107
GLY A   7
PHE A 109
ALA A 180
 None
 1.09A 5x66A-4k46A:
undetectable
5x66B-4k46A:
undetectable		 5x66A-4k46A:
21.55
5x66B-4k46A:
21.55
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.
4ozu CORONIN

(Toxoplasma
gondii) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		5 ILE A 385
ASP A 183
GLY A 182
ASN A 137
ASP A 274
 None
 1.00A 5x66A-4ozuA:
undetectable
5x66B-4ozuA:
undetectable		 5x66A-4ozuA:
21.78
5x66B-4ozuA:
21.78
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.
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 5x66A-4qtfA:
undetectable
5x66B-4qtfA:
undetectable		 5x66A-4qtfA:
19.61
5x66B-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 PHE A 471
ILE A 430
ASP A 374
GLY A 399
ASN A 397
 None
 1.13A 5x66A-4rt6A:
undetectable
5x66B-4rt6A:
undetectable		 5x66A-4rt6A:
15.16
5x66B-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.
4w5z CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18) 		5 PHE A  84
ILE A  68
LEU A 148
GLY A 147
PHE A 145
 None
 1.18A 5x66A-4w5zA:
undetectable
5x66B-4w5zA:
undetectable		 5x66A-4w5zA:
20.57
5x66B-4w5zA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wd1 ACETOACETATE-COA
LIGASE

(Streptomyces
lividans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ILE A 232
LEU A 197
GLY A 151
ALA A 228
ASP A 211
 None
 1.07A 5x66A-4wd1A:
undetectable
5x66B-4wd1A:
undetectable		 5x66A-4wd1A:
20.19
5x66B-4wd1A:
20.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		8 PHE A  68
ILE A  96
ASP A 206
LEU A 209
GLY A 210
PHE A 213
ASN A 214
TYR A 246
 None
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 0.50A 5x66A-4xscA:
40.9
5x66B-4xscA:
9.9		 5x66A-4xscA:
69.66
5x66B-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.
4ye9 GLUTAMINE--TRNA
LIGASE

(Homo sapiens) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1) 		5 ARG A 267
PHE A 268
GLY A 289
PHE A 288
ALA A 537
 None
 1.19A 5x66A-4ye9A:
undetectable
5x66B-4ye9A:
undetectable		 5x66A-4ye9A:
16.07
5x66B-4ye9A:
16.07
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.
4ye9 GLUTAMINE--TRNA
LIGASE

(Homo sapiens) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1) 		5 PHE A 268
ILE A 284
GLY A 289
PHE A 288
ALA A 537
 None
 1.11A 5x66A-4ye9A:
undetectable
5x66B-4ye9A:
undetectable		 5x66A-4ye9A:
16.07
5x66B-4ye9A:
16.07
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.
4z36 LYSOPHOSPHATIDIC
ACID RECEPTOR
1,SOLUBLE CYTOCHROME
B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 ILE A 176
LEU A 127
GLY A 126
TYR A 102
ALA A  98
 None
1WV  A2001 ( 4.7A)
1WV  A2001 ( 4.0A)
None
None
 1.02A 5x66A-4z36A:
undetectable
5x66B-4z36A:
undetectable		 5x66A-4z36A:
21.59
5x66B-4z36A:
21.59
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.
4zet C-TYPE LECTIN DOMAIN
FAMILY 4 MEMBER C

(Homo sapiens) 		PF00059
(Lectin_C) 		5 ILE A 182
LEU A 144
GLY A 143
PHE A 141
ASP A 177
 None
 1.06A 5x66A-4zetA:
undetectable
5x66B-4zetA:
undetectable		 5x66A-4zetA:
18.06
5x66B-4zetA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a9b POLYHEDRIN

(Cypovirus 1) 		PF05865
(Cypo_polyhedrin) 		5 PHE A  65
ILE A 109
GLY A 127
ASN A 128
MET A 124
 None
 1.16A 5x66A-5a9bA:
undetectable
5x66B-5a9bA:
undetectable		 5x66A-5a9bA:
20.21
5x66B-5a9bA:
20.21
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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		5 PHE A 250
GLY A 254
ASN A 258
ALA A  61
ASP A 216
 None
None
None
None
CL  A1296 ( 4.5A)
 1.01A 5x66A-5aocA:
undetectable
5x66B-5aocA:
undetectable		 5x66A-5aocA:
18.59
5x66B-5aocA:
18.59
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.
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
 1.17A 5x66A-5bs5A:
undetectable
5x66B-5bs5A:
undetectable		 5x66A-5bs5A:
21.05
5x66B-5bs5A:
21.05
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) 		8 PHE A  74
ILE A 102
ASP A 212
LEU A 215
GLY A 216
PHE A 219
ASN A 220
TYR A 252
 None
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)
 0.44A 5x66A-5by6A:
43.1
5x66B-5by6A:
13.1		 5x66A-5by6A:
64.17
5x66B-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.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		5 PHE A  72
ILE A 114
LEU A  83
PHE A  85
ALA A 142
 None
 1.10A 5x66A-5ds0A:
undetectable
5x66B-5ds0A:
undetectable		 5x66A-5ds0A:
20.80
5x66B-5ds0A:
20.80
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.
5dud YBGJ
YBGK

(Escherichia
coli) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 PHE B 192
ILE A  26
LEU B 130
GLY B 131
ASP B 193
 None
 1.04A 5x66A-5dudB:
undetectable
5x66B-5dudB:
undetectable		 5x66A-5dudB:
21.20
5x66B-5dudB:
21.20
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 PHE A 104
ILE A 132
ASP A 242
GLY A 246
PHE A 249
ASN A 250
TYR A 282
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
UMP  A 402 (-4.5A)
 0.32A 5x66A-5h3aA:
44.1
5x66B-5h3aA:
29.5		 5x66A-5h3aA:
71.73
5x66B-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 214
ASP C 221
LEU C 219
GLY C 222
ASP C 248
 None
 1.14A 5x66A-5hr4C:
undetectable
5x66B-5hr4C:
undetectable		 5x66A-5hr4C:
14.36
5x66B-5hr4C:
14.36
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
 0.67A 5x66A-5j7wA:
35.0
5x66B-5j7wA:
35.1		 5x66A-5j7wA:
48.93
5x66B-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.
5k13 RETINOIC ACID
RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE A 273
ASP A 288
LEU A 290
GLY A 289
ASP A 282
 6Q7  A 501 ( 3.9A)
None
None
None
None
 1.13A 5x66A-5k13A:
undetectable
5x66B-5k13A:
undetectable		 5x66A-5k13A:
26.03
5x66B-5k13A:
26.03
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.
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
 1.02A 5x66A-5k69A:
undetectable
5x66B-5k69A:
undetectable		 5x66A-5k69A:
19.71
5x66B-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.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 ILE A 243
GLY A 192
TYR A 168
ALA A 239
ASP A 187
 None
 1.06A 5x66A-5ko5A:
undetectable
5x66B-5ko5A:
undetectable		 5x66A-5ko5A:
23.62
5x66B-5ko5A:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ori ALBUMIN

(Capra hircus) 		no annotation 5 ILE A 181
GLY A 162
PHE A 164
ASN A 161
ASP A 172
 None
 1.05A 5x66A-5oriA:
undetectable
5x66B-5oriA:
undetectable		 5x66A-5oriA:
19.64
5x66B-5oriA:
19.64
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 PHE A 374
ILE A 402
ASP A 513
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
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)
 0.59A 5x66A-5t0lA:
44.4
5x66B-5t0lA:
20.0		 5x66A-5t0lA:
38.34
5x66B-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) 		9 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.67A 5x66A-5t0lA:
44.4
5x66B-5t0lA:
20.0		 5x66A-5t0lA:
38.34
5x66B-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
 0.90A 5x66A-5xdrA:
undetectable
5x66B-5xdrA:
undetectable		 5x66A-5xdrA:
19.05
5x66B-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.
5yy3 -

(-) 		no annotation 5 PHE A 563
ILE A 633
GLY A 432
PHE A 631
ASP A 489
 None
 1.14A 5x66A-5yy3A:
undetectable
5x66B-5yy3A:
undetectable		 5x66A-5yy3A:
undetectable
5x66B-5yy3A:
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 ILE A 442
LEU A 487
GLY A 486
PHE A 485
ALA A 390
 None
 1.12A 5x66A-5z5dA:
undetectable
5x66B-5z5dA:
undetectable		 5x66A-5z5dA:
13.99
5x66B-5z5dA:
13.99
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 LEU A 551
GLY A 548
ASN A 547
TYR A 152
ALA A 556
 None
 1.14A 5x66A-5zl9A:
undetectable
5x66B-5zl9A:
undetectable		 5x66A-5zl9A:
11.83
5x66B-5zl9A:
11.83
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
 0.52A 5x66A-6aujA:
34.2
5x66B-6aujA:
34.2		 5x66A-6aujA:
51.54
5x66B-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) 		6 ILE A  87
ASP A 177
GLY A 181
PHE A 184
ASN A 185
TYR A 217
 PGE  A 301 ( 4.2A)
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
PGE  A 301 ( 4.9A)
None
 0.59A 5x66A-6aujA:
34.2
5x66B-6aujA:
34.2		 5x66A-6aujA:
51.54
5x66B-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.
6bk6 HENDRA VIRUS MATRIX
PROTEIN

(Hendra
henipavirus) 		no annotation 5 ILE A 178
LEU A  94
GLY A  95
ALA A  91
ASP A 105
 None
 1.16A 5x66A-6bk6A:
undetectable
5x66B-6bk6A:
undetectable		 5x66A-6bk6A:
13.15
5x66B-6bk6A:
13.15
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 ILE A  79
ASP A 169
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 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.30A 5x66A-6cdzA:
37.8
5x66B-6cdzA:
37.9		 5x66A-6cdzA:
49.41
5x66B-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 ILE A  79
ASP A 169
LEU A 172
GLY A 173
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)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.67A 5x66A-6cdzA:
37.8
5x66B-6cdzA:
37.9		 5x66A-6cdzA:
49.41
5x66B-6cdzA:
49.41