SIMILAR PATTERNS OF AMINO ACIDS FOR 1I00_B_D16B409_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
 1.22A 1i00B-1am5A:
0.0		 1i00B-1am5A:
21.61
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.
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)
 1.49A 1i00B-1b5dA:
18.0		 1i00B-1b5dA:
22.68
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
 0.68A 1i00B-1bsfA:
30.4		 1i00B-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)
 0.63A 1i00B-1ci7A:
40.9		 1i00B-1ci7A:
61.41
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
TRP A  87
ASP A 202
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.74A 1i00B-1ci7A:
40.9		 1i00B-1ci7A:
61.41
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
TRP A 109
ASP A 218
LEU A 221
GLY A 222
PHE A 225
ASN A 226
TYR A 258
 D16  A 414 (-3.7A)
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)
 0.65A 1i00B-1hvyA:
44.0		 1i00B-1hvyA:
98.62
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.19A 1i00B-1izeA:
undetectable		 1i00B-1izeA:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 ASP C 513
LEU C 516
GLY C 517
ASN C 521
TYR C 553
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-2.8A)
UMP  C 611 (-4.9A)
 0.59A 1i00B-1j3jC:
12.2		 1i00B-1j3jC:
48.78
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)
 0.42A 1i00B-1j3jC:
12.2		 1i00B-1j3jC:
48.78
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 LEU C 516
GLY C 517
PHE C 520
ASN C 521
TYR C 553
 None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-2.8A)
UMP  C 611 (-4.9A)
 1.26A 1i00B-1j3jC:
12.2		 1i00B-1j3jC:
48.78
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 PHE A  66
ILE A 124
GLY A 110
ASN A 108
TYR A 246
 None
 1.20A 1i00B-1lrwA:
0.0		 1i00B-1lrwA:
18.66
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ILE A 491
TRP A 540
GLY A 560
ASN A 563
TYR A 551
 None
 1.44A 1i00B-1n21A:
0.0		 1i00B-1n21A:
22.22
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
 0.69A 1i00B-1tisA:
29.9		 1i00B-1tisA:
43.27
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.
1url SIALOADHESIN

(Mus musculus) 		PF07686
(V-set) 		5 PHE A  98
ILE A  36
LEU A  70
GLY A  72
ASN A  73
 None
 1.43A 1i00B-1urlA:
undetectable		 1i00B-1urlA:
16.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		6 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.07A 1i00B-2aazA:
undetectable		 1i00B-2aazA:
58.99
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
TRP A 101
ASP A 219
GLY A 223
ASN A 227
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.80A 1i00B-2aazA:
undetectable		 1i00B-2aazA:
58.99
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 PHE A  72
ILE A 100
ASP A 219
GLY A 223
ASN A 227
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.74A 1i00B-2aazA:
undetectable		 1i00B-2aazA:
58.99
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 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.11A 1i00B-2aazA:
undetectable		 1i00B-2aazA:
58.99
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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 ILE A 119
ASP A 124
GLY A 176
PHE A 179
ASN A 180
 None
 1.20A 1i00B-2cl2A:
undetectable		 1i00B-2cl2A:
21.07
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.
2ct6 SH3 DOMAIN-BINDING
GLUTAMIC
ACID-RICH-LIKE
PROTEIN 2

(Homo sapiens) 		PF04908
(SH3BGR) 		5 PHE A  89
ILE A  76
LEU A 104
GLY A 103
PHE A 101
 None
 1.27A 1i00B-2ct6A:
undetectable		 1i00B-2ct6A:
15.38
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)
 0.45A 1i00B-2h2qA:
16.9		 1i00B-2h2qA:
35.89
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
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.76A 1i00B-2h2qA:
16.9		 1i00B-2h2qA:
35.89
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.
2hh6 BH3980 PROTEIN

(Bacillus
halodurans) 		PF06304
(DUF1048) 		5 ILE A  38
ASP A  63
LEU A  62
GLY A  59
PHE A  58
 None
 1.30A 1i00B-2hh6A:
undetectable		 1i00B-2hh6A:
15.41
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) 		5 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.76A 1i00B-2oipA:
19.5		 1i00B-2oipA:
33.14
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) 		5 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.26A 1i00B-2oipA:
19.5		 1i00B-2oipA:
33.14
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) 		6 ILE A 315
TRP A 316
ASP A 426
GLY A 430
ASN A 434
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
 0.77A 1i00B-2oipA:
19.5		 1i00B-2oipA:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		5 ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.93A 1i00B-2tddA:
33.1		 1i00B-2tddA:
44.95
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)
 1.18A 1i00B-2tddA:
33.1		 1i00B-2tddA:
44.95
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.23A 1i00B-2wedA:
undetectable		 1i00B-2wedA:
20.34
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.
2xj9 MIPZ

(Caulobacter
vibrioides) 		PF09140
(MipZ) 		5 PHE A  97
ILE A 109
ASP A  78
LEU A  74
PHE A  93
 None
 1.47A 1i00B-2xj9A:
undetectable		 1i00B-2xj9A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 PHE X 551
ILE X 525
ASP X 540
LEU X 543
PHE X 568
 None
 1.37A 1i00B-2y9eX:
undetectable		 1i00B-2y9eX:
16.89
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.
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
 1.17A 1i00B-3emyA:
undetectable		 1i00B-3emyA:
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.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ILE A 276
ASP A 306
LEU A 309
GLY A 305
TYR A  14
 None
 1.35A 1i00B-3fv3A:
undetectable		 1i00B-3fv3A:
19.72
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
 0.78A 1i00B-3ix6A:
33.9		 1i00B-3ix6A:
42.11
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
 0.52A 1i00B-3ix6A:
33.9		 1i00B-3ix6A:
42.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 None
 1.30A 1i00B-3ix6A:
33.9		 1i00B-3ix6A:
42.11
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.
3jxz ALKYLPURINE DNA
GLYCOSYLASE ALKD

(Bacillus cereus) 		PF08713
(DNA_alkylation) 		5 ILE A 131
ASP A 122
LEU A 125
GLY A 121
PHE A 153
 None
 1.35A 1i00B-3jxzA:
undetectable		 1i00B-3jxzA:
20.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 PHE A  60
ASP A 197
LEU A 200
GLY A 201
TYR A 237
 None
 1.11A 1i00B-3kgbA:
23.0		 1i00B-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
 0.75A 1i00B-3kgbA:
23.0		 1i00B-3kgbA:
58.64
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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 PHE A 609
ILE A 341
ASP A 313
LEU A 296
PHE A 294
 None
 1.39A 1i00B-3q3hA:
undetectable		 1i00B-3q3hA:
21.37
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.
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 1i00B-3ritA:
undetectable		 1i00B-3ritA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.64A 1i00B-3um6A:
18.5		 1i00B-3um6A:
26.81
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.
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)
 0.40A 1i00B-3um6A:
18.5		 1i00B-3um6A:
26.81
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)
 0.63A 1i00B-3v8hA:
34.6		 1i00B-3v8hA:
36.47
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
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.83A 1i00B-3v8hA:
34.6		 1i00B-3v8hA:
36.47
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.
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
 1.29A 1i00B-4a5zA:
undetectable		 1i00B-4a5zA:
19.66
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.
4ag4 EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 PHE A 272
ASP A 216
LEU A 228
GLY A 227
TYR A 122
 None
 1.48A 1i00B-4ag4A:
undetectable		 1i00B-4ag4A:
20.38
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.
4ann ESSB

(Staphylococcus
aureus) 		PF10140
(YukC) 		5 ILE A  86
ASP A 126
GLY A 127
PHE A 123
ASN A 100
 None
 1.46A 1i00B-4annA:
undetectable		 1i00B-4annA:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 ASP A 224
LEU A 227
GLY A 228
ASN A 232
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.77A 1i00B-4dq1A:
33.3		 1i00B-4dq1A:
45.45
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)
 0.45A 1i00B-4dq1A:
33.3		 1i00B-4dq1A:
45.45
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) 		5 ILE A  79
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.98A 1i00B-4fogA:
22.0		 1i00B-4fogA:
49.66
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
TRP A  80
ASP A 169
GLY A 173
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.80A 1i00B-4fogA:
22.0		 1i00B-4fogA:
49.66
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		5 ILE A 434
TRP A 432
LEU A 467
GLY A 446
PHE A 440
 None
 1.29A 1i00B-4gwnA:
undetectable		 1i00B-4gwnA:
20.92
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)
 0.41A 1i00B-4h0uA:
21.2		 1i00B-4h0uA:
47.93
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.
4h1x PHOSPHATE-BINDING
PROTEIN PSTS 2

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		5 PHE A 150
ILE A 151
ASP A 232
LEU A 184
GLY A 144
 None
 1.37A 1i00B-4h1xA:
undetectable		 1i00B-4h1xA:
21.12
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)
 0.29A 1i00B-4iqqA:
12.8		 1i00B-4iqqA:
62.86
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.
4jpq UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF16011
(CBM9_2) 		5 PHE A 122
ILE A 191
ASP A 110
LEU A 143
PHE A 135
 None
 1.34A 1i00B-4jpqA:
undetectable		 1i00B-4jpqA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.38A 1i00B-4lq1A:
undetectable		 1i00B-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
 1.31A 1i00B-4mx6A:
undetectable		 1i00B-4mx6A:
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.
4o7m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Shewanella
loihica) 		PF03480
(DctP) 		5 PHE A  72
ASP A  80
GLY A  79
PHE A  78
ASN A  82
 None
LMR  A 401 ( 4.1A)
None
None
None
 1.35A 1i00B-4o7mA:
undetectable		 1i00B-4o7mA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ohq TRIOSEPHOSPHATE
ISOMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00121
(TIM) 		5 ILE A  60
ASP A  28
LEU A  25
GLY A 239
PHE A 242
 None
 1.39A 1i00B-4ohqA:
undetectable		 1i00B-4ohqA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.49A 1i00B-4pkvA:
undetectable		 1i00B-4pkvA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.17A 1i00B-4rt6A:
undetectable		 1i00B-4rt6A:
15.70
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)
 0.43A 1i00B-4xscA:
24.2		 1i00B-4xscA:
64.63
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
LEU A 209
GLY A 210
ASN A 214
TYR A 246
 None
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 0.67A 1i00B-4xscA:
24.2		 1i00B-4xscA:
64.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ILE A 267
ASP A 301
LEU A 304
GLY A 300
TYR A  14
 None
 1.32A 1i00B-4y9wA:
undetectable		 1i00B-4y9wA:
22.83
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.
4yu9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE

(Homo sapiens) 		PF04389
(Peptidase_M28) 		5 PHE A 260
LEU A 318
PHE A 261
ASN A 263
TYR A 358
 None
 1.37A 1i00B-4yu9A:
undetectable		 1i00B-4yu9A:
19.77
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) 		5 ASP A 212
LEU A 215
GLY A 216
ASN A 220
TYR A 252
 None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-3.2A)
UMP  A 401 (-4.6A)
 0.74A 1i00B-5by6A:
12.7		 1i00B-5by6A:
64.50
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)
 0.37A 1i00B-5by6A:
12.7		 1i00B-5by6A:
64.50
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.
5doi TELOMERASE
ASSOCIATED PROTEIN
P45

(Tetrahymena
thermophila) 		no annotation 5 ILE E  51
ASP E  54
LEU E  10
GLY E  57
TYR E 116
 None
 1.42A 1i00B-5doiE:
undetectable		 1i00B-5doiE:
18.79
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)
 0.21A 1i00B-5h3aA:
21.0		 1i00B-5h3aA:
70.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 PHE A 104
TRP A 133
PHE A 249
ASN A 250
TYR A 282
 D16  A 401 (-3.6A)
None
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
UMP  A 402 (-4.5A)
 0.90A 1i00B-5h3aA:
21.0		 1i00B-5h3aA:
70.88
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.16A 1i00B-5hctA:
undetectable		 1i00B-5hctA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		5 ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
 0.79A 1i00B-5j7wA:
33.1		 1i00B-5j7wA:
48.78
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
 0.63A 1i00B-5j7wA:
33.1		 1i00B-5j7wA:
48.78
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.
5l1t PENTALENOLACTONE
SYNTHASE

(Streptomyces
arenae) 		PF00067
(p450) 		5 PHE A 361
ILE A 272
ASP A 328
LEU A 329
ASN A 251
 None
 1.47A 1i00B-5l1tA:
undetectable		 1i00B-5l1tA:
23.21
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.
5m5x DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA135

(Saccharomyces
cerevisiae) 		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)
PF06883
(RNA_pol_Rpa2_4) 		5 ASP B 841
LEU B 845
GLY B 844
PHE B 825
TYR B 847
 None
 1.36A 1i00B-5m5xB:
undetectable		 1i00B-5m5xB:
12.64
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.16A 1i00B-5p60A:
undetectable		 1i00B-5p60A:
18.18
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
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.59A 1i00B-5t0lA:
19.6		 1i00B-5t0lA:
34.28
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.
5tta PUTATIVE EXPORTED
PROTEIN

(Clostridioides
difficile) 		no annotation 5 PHE A 259
ILE A 233
ASP A 109
GLY A 112
ASN A 266
 None
 1.37A 1i00B-5ttaA:
undetectable		 1i00B-5ttaA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4z RIBOFLAVIN LYASE

(Herbiconiux) 		no annotation 5 PHE A 284
ILE A 380
ASP A 390
LEU A 389
GLY A 391
 None
 1.23A 1i00B-5w4zA:
undetectable		 1i00B-5w4zA:
16.54
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.
5xoz TRYPSIN PROTEIN
INHIBITOR 2

(Cicer arietinum) 		no annotation 5 ILE A 117
LEU A 148
GLY A 149
PHE A 135
TYR A 140
 None
 1.19A 1i00B-5xozA:
undetectable		 1i00B-5xozA:
12.81
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.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 5 PHE A 382
ILE A 379
ASP A 390
GLY A 391
PHE A 403
 None
 1.47A 1i00B-5y09A:
undetectable		 1i00B-5y09A:
19.37
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
LEU A 180
GLY A 181
ASN A 185
TYR A 217
 None
None
PGE  A 301 ( 4.0A)
PGE  A 301 ( 4.9A)
None
 0.90A 1i00B-6aujA:
33.8		 1i00B-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
 0.47A 1i00B-6aujA:
33.8		 1i00B-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)
 0.45A 1i00B-6cdzA:
22.7		 1i00B-6cdzA:
48.84
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 5 PHE A 241
ILE A 159
ASP A 156
GLY A 244
PHE A 243
 None
 1.30A 1i00B-6f8zA:
undetectable		 1i00B-6f8zA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fc5 MICROTUBULE-ASSOCIAT
ED PROTEIN

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A  68
ASP A  39
LEU A  40
GLY A  65
ASN A  47
 None
 1.22A 1i00B-6fc5A:
undetectable		 1i00B-6fc5A:
15.58