SIMILAR PATTERNS OF AMINO ACIDS FOR 5X66_D_MTXD402_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		5 PHE A  99
ILE A 125
PHE A  97
TYR A   3
ALA A  80
 None
 1.40A 5x66D-1a0cA:
0.0		 5x66D-1a0cA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b5d PROTEIN
(DEOXYCYTIDYLATE
HYDROXYMETHYLASE)

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 PHE A  47
ASP A 171
GLY A 175
ASN A 178
TYR A 218
 None
None
DCM  A 300 (-3.5A)
None
DCM  A 300 (-4.6A)
 1.45A 5x66D-1b5dA:
17.7		 5x66D-1b5dA:
22.65
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.
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
 1.01A 5x66D-1bs0A:
0.0		 5x66D-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
 0.78A 5x66D-1bsfA:
32.3		 5x66D-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
 0.90A 5x66D-1bsfA:
32.3		 5x66D-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
GLY A 206
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 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.64A 5x66D-1ci7A:
42.7		 5x66D-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.
1e69 CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF02463
(SMC_N) 		5 PHE A1100
ILE A1132
ASP A1145
PHE A  22
ALA A1143
 None
 1.28A 5x66D-1e69A:
undetectable		 5x66D-1e69A:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		9 PHE A  80
ILE A 108
ASP A 218
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 (-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)
 0.41A 5x66D-1hvyA:
47.1		 5x66D-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 5x66D-1hyhA:
undetectable		 5x66D-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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 ARG A 140
ILE A  93
GLY A 131
ASN A  98
ALA A  81
 None
 1.25A 5x66D-1iy8A:
0.0		 5x66D-1iy8A:
19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 ILE C 403
ASP C 513
GLY C 517
ASN C 521
TYR C 553
 None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-2.8A)
UMP  C 611 (-4.9A)
 0.39A 5x66D-1j3jC:
41.4		 5x66D-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
 1.45A 5x66D-1o0sA:
undetectable		 5x66D-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.
1o5h FORMIMINOTETRAHYDROF
OLATE CYCLODEAMINASE

(Thermotoga
maritima) 		PF04961
(FTCD_C) 		5 PHE A 149
ILE A 113
ASP A  80
GLY A  25
ALA A 105
 None
 1.47A 5x66D-1o5hA:
undetectable		 5x66D-1o5hA:
19.46
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.
1ope SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Sus scrofa) 		PF01144
(CoA_trans) 		5 ARG A 242
GLY A  24
PHE A  25
ASN A 190
ALA A  48
 None
 1.35A 5x66D-1opeA:
undetectable		 5x66D-1opeA:
20.55
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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 PHE A 688
ILE A 666
GLY A 683
PHE A 684
TYR A 728
 None
 1.39A 5x66D-1pwwA:
undetectable		 5x66D-1pwwA:
16.09
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.
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
 1.24A 5x66D-1q33A:
undetectable		 5x66D-1q33A:
23.26
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.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		5 ARG A  50
ASP A 339
ASN A 343
TYR A 383
ALA A 366
 None
 1.41A 5x66D-1sp3A:
undetectable		 5x66D-1sp3A:
20.18
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
GLY A 183
PHE A 186
ASN A 187
TYR A 219
 None
 0.68A 5x66D-1tisA:
31.1		 5x66D-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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ARG A 353
ILE A 198
GLY A 252
MET A 268
ALA A 265
 None
 1.42A 5x66D-1w5eA:
undetectable		 5x66D-1w5eA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw1 PROTEIN YTNJ

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		5 ILE A 374
ASP A 384
GLY A 385
PHE A   9
TYR A 248
 None
 1.43A 5x66D-1yw1A:
undetectable		 5x66D-1yw1A:
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.
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
 1.38A 5x66D-1z06A:
undetectable		 5x66D-1z06A:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		5 ARG A  70
ASP A 219
PHE A 226
TYR A 259
MET A 315
 None
CB3  A2351 ( 3.6A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 1.29A 5x66D-2aazA:
undetectable		 5x66D-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
GLY A 223
ASN A 227
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.53A 5x66D-2aazA:
undetectable		 5x66D-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)
 1.02A 5x66D-2aazA:
undetectable		 5x66D-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 5x66D-2c2lA:
undetectable		 5x66D-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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 ILE A 119
ASP A 124
GLY A 176
PHE A 179
ASN A 180
 None
 1.30A 5x66D-2cl2A:
undetectable		 5x66D-2cl2A:
20.88
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.
2f6k METAL-DEPENDENT
HYDROLASE

(Lactobacillus
plantarum) 		PF04909
(Amidohydro_2) 		5 ASP A 214
GLY A 211
PHE A 209
TYR A 230
ALA A 218
 None
 1.45A 5x66D-2f6kA:
undetectable		 5x66D-2f6kA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 PHE A 288
ILE A 316
ASP A 426
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)
 0.46A 5x66D-2h2qA:
39.9		 5x66D-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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis) 		PF01979
(Amidohydro_1) 		5 PHE A 213
ASP A 272
GLY A 247
PHE A 251
ALA A  89
 None
ZN  A 400 (-2.8A)
None
None
KCX  A 154 ( 3.7A)
 1.25A 5x66D-2icsA:
undetectable		 5x66D-2icsA:
19.16
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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis) 		PF01979
(Amidohydro_1) 		5 PHE A 213
ILE A 244
GLY A 247
PHE A 251
ALA A  89
 None
None
None
None
KCX  A 154 ( 3.7A)
 1.31A 5x66D-2icsA:
undetectable		 5x66D-2icsA:
19.16
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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		5 ARG A 154
PHE A 153
GLY A 517
PHE A 518
ASN A 522
 None
VDM  A1548 (-3.8A)
None
VDM  A1548 (-4.6A)
None
 1.43A 5x66D-2jf4A:
undetectable		 5x66D-2jf4A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 PHE A 709
ILE A 675
ASP A 714
GLY A 678
ASN A 712
 None
 1.36A 5x66D-2nq5A:
undetectable		 5x66D-2nq5A:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 PHE A 233
ASP A 291
GLY A 266
PHE A 270
ALA A 106
 None
ZN  A 418 (-2.5A)
None
None
KCX  A 175 ( 3.6A)
 1.26A 5x66D-2ogjA:
undetectable		 5x66D-2ogjA:
21.26
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 PHE A 233
ILE A 263
GLY A 266
PHE A 270
ALA A 106
 None
None
None
None
KCX  A 175 ( 3.6A)
 1.37A 5x66D-2ogjA:
undetectable		 5x66D-2ogjA:
21.26
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
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 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.48A 5x66D-2oipA:
43.4		 5x66D-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) 		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)
 1.08A 5x66D-2oipA:
43.4		 5x66D-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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 PHE A 119
ASP A 122
GLY A  97
PHE A  96
ASN A  58
 None
 1.47A 5x66D-2pqdA:
undetectable		 5x66D-2pqdA:
21.35
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)
 1.17A 5x66D-2tddA:
35.2		 5x66D-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.
2xqy A13-D6.3 MONOCLONAL
ANTIBODY
ENVELOPE
GLYCOPROTEIN H

(Mus musculus;
Suid
alphaherpesvirus
1) 		PF02489
(Herpes_glycop_H)
PF07654
(C1-set)
PF07686
(V-set)
PF17488
(Herpes_glycoH_C) 		5 ARG A 364
ASP G 101
GLY G 100
TYR G 102
ALA A 335
 None
 1.48A 5x66D-2xqyA:
undetectable		 5x66D-2xqyA:
18.83
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.
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
 1.44A 5x66D-3bxpA:
undetectable		 5x66D-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
 1.31A 5x66D-3dcpA:
undetectable		 5x66D-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.
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
 1.06A 5x66D-3fd2A:
undetectable		 5x66D-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
 1.04A 5x66D-3fd2A:
undetectable		 5x66D-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.
3gt0 PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Bacillus cereus) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 ILE A  18
ASP A  36
GLY A   9
PHE A   7
ALA A  40
 None
 1.27A 5x66D-3gt0A:
undetectable		 5x66D-3gt0A:
20.07
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
 0.63A 5x66D-3ix6A:
33.9		 5x66D-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
GLY A 201
PHE A 204
ASN A 205
TYR A 237
 None
 0.77A 5x66D-3kgbA:
36.4		 5x66D-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) 		5 ASP A 416
GLY A 420
ASN A 424
TYR A 456
MET A 509
 None
None
None
None
GOL  A 516 (-4.0A)
 0.28A 5x66D-3kjrA:
42.7		 5x66D-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
 0.75A 5x66D-3kjrA:
42.7		 5x66D-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.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Staphylococcus
aureus) 		no annotation 5 PHE Q  18
GLY Q   9
PHE Q  10
TYR Q 100
ALA Q  80
 None
NAD  Q 337 (-3.4A)
None
None
None
 1.30A 5x66D-3ksdQ:
undetectable		 5x66D-3ksdQ:
21.29
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.
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
 1.25A 5x66D-3lk7A:
undetectable		 5x66D-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
ASP A  70
GLY A  73
PHE A  77
ALA A  96
 None
 1.49A 5x66D-3lkiA:
undetectable		 5x66D-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
 1.04A 5x66D-3mipA:
undetectable		 5x66D-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
 1.15A 5x66D-3n9vA:
undetectable		 5x66D-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.
3n9x PHOSPHOTRANSFERASE

(Plasmodium
berghei) 		PF00069
(Pkinase) 		5 ARG A 397
PHE A 400
ILE A  76
ASP A  92
TYR A  28
 None
 1.46A 5x66D-3n9xA:
undetectable		 5x66D-3n9xA:
21.92
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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 ILE A 219
ASP A 133
GLY A 134
ASN A  78
MET A 131
 None
 1.31A 5x66D-3p5mA:
undetectable		 5x66D-3p5mA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 PHE B 354
ILE B 433
ASP B 623
GLY B 614
ASN B 616
 None
 1.35A 5x66D-3prxB:
undetectable		 5x66D-3prxB:
11.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rp9 MITOGEN-ACTIVATED
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		5 ARG A 432
PHE A 435
ILE A 103
ASP A 119
TYR A  55
 None
 1.34A 5x66D-3rp9A:
undetectable		 5x66D-3rp9A:
22.12
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 403
ASP A 513
GLY A 517
ASN A 521
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.44A 5x66D-3um6A:
41.4		 5x66D-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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 PHE A 353
ILE A 210
ASP A 287
GLY A 288
PHE A 289
 None
 1.41A 5x66D-3uszA:
undetectable		 5x66D-3uszA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 5x66D-3v4cA:
undetectable		 5x66D-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) 		5 ASP A 217
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.65A 5x66D-3v8hA:
34.7		 5x66D-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)
 1.35A 5x66D-3vasA:
undetectable		 5x66D-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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		5 PHE A 308
ILE A 218
GLY A 221
PHE A 220
TYR A 229
 None
 1.48A 5x66D-3vasA:
undetectable		 5x66D-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.
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 5x66D-4a5zA:
undetectable		 5x66D-4a5zA:
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PHE A 220
ILE A 277
GLY A 222
ASN A 256
ALA A 477
 None
 1.34A 5x66D-4cw4A:
undetectable		 5x66D-4cw4A:
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.
4dib GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 PHE A  17
ILE A   6
GLY A  10
PHE A   9
ALA A 120
 None
 1.44A 5x66D-4dibA:
undetectable		 5x66D-4dibA:
22.76
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) 		6 ILE A  84
ASP A 224
GLY A 228
PHE A 231
ASN A 232
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.52A 5x66D-4dq1A:
35.1		 5x66D-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
 1.14A 5x66D-4e69A:
undetectable		 5x66D-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
 1.38A 5x66D-4eg2A:
undetectable		 5x66D-4eg2A:
22.46
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)
 0.92A 5x66D-4fogA:
38.1		 5x66D-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
 1.22A 5x66D-4g3aA:
undetectable		 5x66D-4g3aA:
22.59
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.
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
 1.18A 5x66D-4gt6A:
undetectable		 5x66D-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) 		5 ILE A  82
ASP A 172
GLY A 176
ASN A 180
TYR A 212
 None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-3.0A)
UMP  A 301 (-4.5A)
 0.55A 5x66D-4h0uA:
36.8		 5x66D-4h0uA:
47.59
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)
 0.39A 5x66D-4iqqA:
42.9		 5x66D-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.
4is2 BILE ACID 3-ALPHA
HYDROXYSTEROID
DEHYDROGENASE

([Clostridium]
scindens) 		PF00106
(adh_short) 		5 PHE A  62
ILE A  10
GLY A  13
PHE A  36
ALA A  21
 None
 1.26A 5x66D-4is2A:
undetectable		 5x66D-4is2A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 5x66D-4k46A:
undetectable		 5x66D-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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 PHE A 560
ILE A 511
ASP A 622
GLY A 625
PHE A 626
 None
 1.33A 5x66D-4lq1A:
undetectable		 5x66D-4lq1A:
17.55
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.
4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP

(Shewanella
oneidensis) 		PF03480
(DctP) 		5 PHE A  75
ASP A  83
GLY A  82
PHE A  81
ASN A  85
 None
SIN  A 401 ( 4.1A)
None
None
None
 1.38A 5x66D-4mx6A:
undetectable		 5x66D-4mx6A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pkv LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 PHE A 688
ILE A 666
GLY A 683
PHE A 684
TYR A 728
 None
None
30R  A 801 ( 4.2A)
None
30R  A 801 (-3.4A)
 1.44A 5x66D-4pkvA:
undetectable		 5x66D-4pkvA:
18.86
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.
4rck HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN

(Aliivibrio
fischeri) 		PF00092
(VWA) 		5 ARG A  43
ILE A 103
ASP A  70
GLY A  69
PHE A  68
 None
 1.23A 5x66D-4rckA:
undetectable		 5x66D-4rckA:
20.62
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.
4rgy ESTERASE

(uncultured
bacterium FLS12) 		PF00756
(Esterase) 		5 ARG A  82
PHE A  84
ILE A 154
GLY A 178
PHE A 177
 None
 1.43A 5x66D-4rgyA:
undetectable		 5x66D-4rgyA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rjz ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (SUGAR)

(Agrobacterium
fabrum) 		PF01547
(SBP_bac_1) 		5 PHE A  96
ILE A  86
GLY A 136
PHE A 102
TYR A 120
 None
 1.34A 5x66D-4rjzA:
undetectable		 5x66D-4rjzA:
20.96
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.
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
 1.12A 5x66D-4rt6A:
undetectable		 5x66D-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
 1.32A 5x66D-4uozA:
undetectable		 5x66D-4uozA:
18.72
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 PHE A  68
ILE A  96
ASP A 206
GLY A 210
PHE A 213
ASN A 214
TYR A 246
 None
1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 0.47A 5x66D-4xscA:
41.2		 5x66D-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 PHE A 268
ILE A 284
GLY A 289
PHE A 288
ALA A 537
 None
 1.16A 5x66D-4ye9A:
undetectable		 5x66D-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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 5 ASP A 330
GLY A 331
PHE A 305
MET A 373
ALA A 375
 None
 1.32A 5x66D-5ah0A:
undetectable		 5x66D-5ah0A:
23.92
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 PHE A  74
ILE A 102
ASP A 212
GLY A 216
PHE A 219
ASN A 220
TYR A 252
 None
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-3.2A)
UMP  A 401 (-4.6A)
 0.49A 5x66D-5by6A:
42.8		 5x66D-5by6A:
64.17
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)
 0.35A 5x66D-5h3aA:
43.5		 5x66D-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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 ARG B1259
ILE B 805
PHE B 800
MET B 819
ALA B 820
 None
 1.49A 5x66D-5hb4B:
undetectable		 5x66D-5hb4B:
10.54
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.
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
 1.45A 5x66D-5i84A:
undetectable		 5x66D-5i84A:
23.50
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) 		6 ILE A  80
ASP A 220
GLY A 224
PHE A 227
ASN A 228
TYR A 260
 None
 0.66A 5x66D-5j7wA:
35.1		 5x66D-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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 PHE A 523
ILE A 500
ASP A  93
GLY A  88
PHE A  89
 None
 1.41A 5x66D-5k8fA:
undetectable		 5x66D-5k8fA:
17.83
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.
5n29 CTP SYNTHASE

(Trypanosoma
brucei) 		PF00117
(GATase) 		5 PHE A 329
ILE A 361
GLY A 386
MET A 567
ALA A 568
 None
 1.44A 5x66D-5n29A:
undetectable		 5x66D-5n29A:
23.75
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)
 0.46A 5x66D-5t0lA:
44.3		 5x66D-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.
5zbi PEPTIDE ASPARAGINYL
LIGASE

(Viola
canadensis) 		no annotation 5 ILE A 106
ASP A  67
GLY A 257
TYR A 162
ALA A  71
 None
 1.35A 5x66D-5zbiA:
undetectable		 5x66D-5zbiA:
14.84
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 ASP A 177
GLY A 181
PHE A 184
ASN A 185
TYR A 217
 None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
PGE  A 301 ( 4.9A)
None
 0.43A 5x66D-6aujA:
34.2		 5x66D-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
 0.53A 5x66D-6aujA:
34.2		 5x66D-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 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)
 0.29A 5x66D-6cdzA:
38.1		 5x66D-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.
6cud SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 3

(Homo sapiens) 		no annotation 5 ARG A 296
ILE A 771
ASP A 263
GLY A 260
PHE A 257
 None
 1.29A 5x66D-6cudA:
undetectable		 5x66D-6cudA:
15.99