SIMILAR PATTERNS OF AMINO ACIDS FOR 1I00_A_D16A315

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
 1.23A 1i00A-1am5A:
0.0		 1i00A-1am5A:
21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		7 GLU A  71
ILE A  93
TRP A  94
ASP A 184
GLY A 188
PHE A 191
TYR A 224
 None
 0.91A 1i00A-1bsfA:
30.1		 1i00A-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) 		9 PHE A  58
GLU A  65
ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.58A 1i00A-1ci7A:
40.9		 1i00A-1ci7A:
61.41
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.
1ems NIT-FRAGILE
HISTIDINE TRIAD
FUSION PROTEIN

(Caenorhabditis
elegans) 		PF00795
(CN_hydrolase)
PF01230
(HIT) 		5 GLU A  48
ILE A 161
ASP A 263
LEU A 264
GLY A  13
 None
 1.45A 1i00A-1emsA:
0.0		 1i00A-1emsA:
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.
1g59 GLUTAMYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00749
(tRNA-synt_1c) 		5 PHE A 289
GLU A 287
ILE A 290
LEU A  65
GLY A  64
 None
 1.48A 1i00A-1g59A:
0.0		 1i00A-1g59A:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		8 PHE A  80
GLU A  87
ILE A 108
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 0.53A 1i00A-1hvyA:
43.9		 1i00A-1hvyA:
98.62
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) 		5 PHE A  80
GLU A  87
ILE A 108
TRP A 109
PHE A 225
 D16  A 414 (-3.7A)
D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.6A)
 0.62A 1i00A-1hvyA:
43.9		 1i00A-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
 1.20A 1i00A-1izeA:
undetectable		 1i00A-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) 		6 GLU C 382
ILE C 403
TRP C 404
ASP C 513
GLY C 517
TYR C 553
 None
None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.72A 1i00A-1j3jC:
39.2		 1i00A-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 TRP C 404
ASP C 513
LEU C 516
GLY C 517
TYR C 553
 None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.79A 1i00A-1j3jC:
39.2		 1i00A-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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		5 ILE A 220
TRP A 318
ASP A 251
GLY A 295
PHE A 296
 None
 1.36A 1i00A-1t1eA:
0.0		 1i00A-1t1eA:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 GLU A  58
ASP A 179
GLY A 183
PHE A 186
TYR A 219
 None
 0.70A 1i00A-1tisA:
29.8		 1i00A-1tisA:
43.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 GLU A  58
TRP A  87
ASP A 179
PHE A 186
TYR A 219
 None
 0.60A 1i00A-1tisA:
29.8		 1i00A-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.
1vbl PECTATE LYASE 47

(Bacillus sp.
TS-47) 		PF00544
(Pec_lyase_C) 		5 PHE A 330
ILE A 341
ASP A 335
LEU A 361
PHE A 332
 None
 1.22A 1i00A-1vblA:
undetectable		 1i00A-1vblA:
20.90
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 GLU A  79
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.66A 1i00A-2aazA:
undetectable		 1i00A-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) 		5 GLU A  79
ILE A 100
TRP A 101
LEU A 222
GLY A 223
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
 0.82A 1i00A-2aazA:
undetectable		 1i00A-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
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.93A 1i00A-2aazA:
undetectable		 1i00A-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) 		5 ILE A 100
TRP A 101
LEU A 222
GLY A 223
PHE A 226
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
 1.15A 1i00A-2aazA:
undetectable		 1i00A-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
GLU A  79
ILE A 100
ASP A 219
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.67A 1i00A-2aazA:
undetectable		 1i00A-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) 		5 PHE A  72
GLU A  79
ILE A 100
TRP A 101
GLY A 223
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.2A)
 0.80A 1i00A-2aazA:
undetectable		 1i00A-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)
 1.00A 1i00A-2aazA:
undetectable		 1i00A-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) 		5 PHE A  72
ILE A 100
TRP A 101
GLY A 223
PHE A 226
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
 1.21A 1i00A-2aazA:
undetectable		 1i00A-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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 ILE A 146
ASP A 163
LEU A 160
GLY A 124
PHE A 123
 None
 1.39A 1i00A-2dpgA:
undetectable		 1i00A-2dpgA:
20.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A 288
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.73A 1i00A-2h2qA:
17.1		 1i00A-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) 		8 PHE A 288
GLU A 295
ILE A 316
TRP A 317
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.46A 1i00A-2h2qA:
17.1		 1i00A-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.
2hq6 SEROLOGICALLY
DEFINED COLON CANCER
ANTIGEN 10

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 PHE A 114
GLU A 122
LEU A 117
GLY A  60
PHE A  61
 GOL  A 176 ( 4.5A)
None
None
None
None
 1.14A 1i00A-2hq6A:
undetectable		 1i00A-2hq6A:
21.38
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 GLU A 294
ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.66A 1i00A-2oipA:
19.7		 1i00A-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 GLU A 294
ILE A 315
TRP A 316
LEU A 429
GLY A 430
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
 0.76A 1i00A-2oipA:
19.7		 1i00A-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
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.07A 1i00A-2oipA:
19.7		 1i00A-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
TRP A 316
LEU A 429
GLY A 430
PHE A 433
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
 1.21A 1i00A-2oipA:
19.7		 1i00A-2oipA:
33.14
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.
2qlp DEOXYCYTIDINE
TRIPHOSPHATE
DEAMINASE

(Mycobacterium
tuberculosis) 		PF00692
(dUTPase) 		5 GLU A  86
ILE A  32
LEU A  17
GLY A  18
PHE A  88
 None
 1.31A 1i00A-2qlpA:
undetectable		 1i00A-2qlpA:
21.33
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 GLU A  60
ILE A  81
TRP A  82
ASP A 221
GLY A 225
TYR A 261
 None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.73A 1i00A-2tddA:
32.8		 1i00A-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
TRP A  82
ASP A 221
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 1.17A 1i00A-2tddA:
32.8		 1i00A-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 TRP A  82
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.6A)
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)
 1.08A 1i00A-2tddA:
32.8		 1i00A-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
 1.24A 1i00A-2wedA:
undetectable		 1i00A-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.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLU A 460
ILE A 456
ASP A 362
GLY A 361
PHE A 360
 None
 1.17A 1i00A-3b0qA:
undetectable		 1i00A-3b0qA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 1i00A-3emyA:
undetectable		 1i00A-3emyA:
19.71
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 GLU A  58
ILE A  79
ASP A 169
GLY A 173
TYR A 209
 None
 0.89A 1i00A-3ix6A:
33.7		 1i00A-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 GLU A  58
ILE A  79
TRP A  80
ASP A 169
TYR A 209
 None
 0.91A 1i00A-3ix6A:
33.7		 1i00A-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.
3izq ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF08938
(HBS1_N) 		5 PHE 1 403
GLU 1 434
ILE 1 430
GLY 1 428
PHE 1 401
 None
 1.26A 1i00A-3izq1:
undetectable		 1i00A-3izq1:
18.46
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.
3j4s FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		5 PHE A 360
GLU A 340
ILE A 343
ASP A 354
LEU A 353
 None
 1.47A 1i00A-3j4sA:
undetectable		 1i00A-3j4sA:
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.
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
 1.40A 1i00A-3jxzA:
undetectable		 1i00A-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
PHE A 204
TYR A 237
 None
 1.08A 1i00A-3kgbA:
37.2		 1i00A-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
GLU A  67
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 0.79A 1i00A-3kgbA:
37.2		 1i00A-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 GLU A 285
ILE A 306
ASP A 416
LEU A 419
GLY A 420
TYR A 456
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
None
None
None
None
 0.76A 1i00A-3kjrA:
12.2		 1i00A-3kjrA:
32.09
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 GLU A 285
ILE A 306
TRP A 307
LEU A 419
GLY A 420
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
 0.57A 1i00A-3kjrA:
12.2		 1i00A-3kjrA:
32.09
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
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 GOL  A 516 (-3.9A)
None
None
None
None
 1.03A 1i00A-3kjrA:
12.2		 1i00A-3kjrA:
32.09
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
TRP A 307
LEU A 419
GLY A 420
PHE A 423
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
 0.98A 1i00A-3kjrA:
12.2		 1i00A-3kjrA:
32.09
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.
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
 1.43A 1i00A-3q3hA:
undetectable		 1i00A-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
 1.45A 1i00A-3ritA:
undetectable		 1i00A-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) 		6 GLU A 382
ILE A 403
TRP A 404
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.73A 1i00A-3um6A:
39.2		 1i00A-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) 		7 GLU A  58
TRP A  80
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.81A 1i00A-3v8hA:
34.6		 1i00A-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 GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.35A 1i00A-3v8hA:
34.6		 1i00A-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.
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
 1.49A 1i00A-4ag4A:
undetectable		 1i00A-4ag4A:
20.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		6 GLU A  63
ILE A  84
ASP A 224
GLY A 228
PHE A 231
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 0.70A 1i00A-4dq1A:
33.1		 1i00A-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) 		5 GLU A  63
TRP A  85
ASP A 224
PHE A 231
TYR A 264
 None
None
None
None
UMP  A 501 (-4.2A)
 0.63A 1i00A-4dq1A:
33.1		 1i00A-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) 		6 GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.57A 1i00A-4fogA:
36.5		 1i00A-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
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.93A 1i00A-4fogA:
36.5		 1i00A-4fogA:
49.66
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 GLU A  61
ILE A  82
TRP A  83
ASP A 172
GLY A 176
TYR A 212
 None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.53A 1i00A-4h0uA:
34.9		 1i00A-4h0uA:
47.93
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) 		8 GLU A  89
ILE A 110
TRP A 111
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
D16  A 402 (-4.0A)
None
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 0.42A 1i00A-4iqqA:
42.1		 1i00A-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.
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 1i00A-4lq1A:
undetectable		 1i00A-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.
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
 1.41A 1i00A-4ohqA:
undetectable		 1i00A-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.
4pgz MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT

(Homo sapiens) 		no annotation 5 GLU C 338
ILE C 371
ASP C 398
GLY C 311
PHE C 312
 None
 1.46A 1i00A-4pgzC:
undetectable		 1i00A-4pgzC:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CWC27 HOMOLOG

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 PHE A 114
GLU A 122
LEU A 117
GLY A  60
PHE A  61
 GOL  A 401 (-4.2A)
None
None
None
None
 1.14A 1i00A-4r3eA:
undetectable		 1i00A-4r3eA:
18.69
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.
4r3f SPLICEOSOMAL PROTEIN
CWC27

(Chaetomium
thermophilum) 		PF00160
(Pro_isomerase) 		5 PHE A 140
GLU A 148
LEU A 143
GLY A  60
PHE A  61
 EDO  A 303 (-2.8A)
None
None
None
EDO  A 303 ( 4.5A)
 1.11A 1i00A-4r3fA:
undetectable		 1i00A-4r3fA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.41A 1i00A-4rjzA:
undetectable		 1i00A-4rjzA:
21.58
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
GLU A  75
ILE A  96
TRP A  97
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 None
1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.54A 1i00A-4xscA:
40.6		 1i00A-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) 		6 PHE A  68
TRP A  97
ASP A 206
LEU A 209
GLY A 210
TYR A 246
 None
1PE  A1002 (-4.7A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.78A 1i00A-4xscA:
40.6		 1i00A-4xscA:
64.63
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
GLU A  81
ILE A 102
TRP A 103
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 None
DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.57A 1i00A-5by6A:
41.9		 1i00A-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
 1.37A 1i00A-5doiE:
undetectable		 1i00A-5doiE:
18.79
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.
5gmx CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		5 PHE A 350
ILE A 380
LEU A 331
GLY A 372
PHE A 348
 None
 1.50A 1i00A-5gmxA:
undetectable		 1i00A-5gmxA:
22.38
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) 		8 PHE A 104
GLU A 111
ILE A 132
TRP A 133
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 (-3.6A)
D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.35A 1i00A-5h3aA:
21.2		 1i00A-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
 1.17A 1i00A-5hctA:
undetectable		 1i00A-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) 		6 GLU A  59
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
 0.79A 1i00A-5j7wA:
32.9		 1i00A-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 GLU A  59
ILE A  80
ASP A 220
GLY A 224
PHE A 227
TYR A 260
 None
 0.79A 1i00A-5j7wA:
32.9		 1i00A-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.
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
 1.36A 1i00A-5k8fA:
undetectable		 1i00A-5k8fA:
17.12
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.
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
 1.32A 1i00A-5m5xB:
undetectable		 1i00A-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.
5me5 EUKARYOTIC
TRANSCRIPTION
INITIATION FACTOR 4E

(Cucumis melo) 		PF01652
(IF4E) 		5 ILE A 186
TRP A 139
ASP A 168
GLY A 167
PHE A 164
 None
 1.40A 1i00A-5me5A:
undetectable		 1i00A-5me5A:
19.54
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.
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 1i00A-5p60A:
undetectable		 1i00A-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) 		8 PHE A 374
GLU A 381
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.45A 1i00A-5t0lA:
41.4		 1i00A-5t0lA:
34.28
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) 		7 PHE A 374
GLU A 381
ILE A 402
TRP A 403
LEU A 516
GLY A 517
PHE A 520
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.72A 1i00A-5t0lA:
41.4		 1i00A-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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 5 PHE A 307
ILE A 306
ASP A 279
GLY A 280
PHE A 281
 None
 1.26A 1i00A-5v2dA:
undetectable		 1i00A-5v2dA:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4z RIBOFLAVIN LYASE

(Herbiconiux) 		no annotation 5 PHE A 284
ILE A 380
ASP A 390
LEU A 389
GLY A 391
 None
 1.25A 1i00A-5w4zA:
undetectable		 1i00A-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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 GLU A 323
ILE A 317
ASP A  60
LEU A  59
GLY A  58
 None
 1.46A 1i00A-5xbpA:
undetectable		 1i00A-5xbpA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.07A 1i00A-5xozA:
undetectable		 1i00A-5xozA:
12.81
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) 		7 GLU A  66
ILE A  87
TRP A  88
ASP A 177
GLY A 181
PHE A 184
TYR A 217
 PGE  A 301 (-4.1A)
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 0.76A 1i00A-6aujA:
33.4		 1i00A-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 8 GLU A  58
ILE A  79
TRP A  80
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.55A 1i00A-6cdzA:
35.9		 1i00A-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.
6f4c ALPHA-GALACTOSIDASE

(Nicotiana
benthamiana) 		no annotation 5 GLU B 192
ILE B 196
ASP B 146
GLY B 148
TYR B 144
 None
 1.49A 1i00A-6f4cB:
undetectable		 1i00A-6f4cB:
14.53