SIMILAR PATTERNS OF AMINO ACIDS FOR 4IQQ_B_D16B402_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
 1.25A 4iqqB-1am5A:
0.0		 4iqqB-1am5A:
22.44
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
ASP A 184
GLY A 188
PHE A 191
TYR A 224
 None
 0.61A 4iqqB-1bsfA:
30.5		 4iqqB-1bsfA:
34.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		5 ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 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)
 0.71A 4iqqB-1ci7A:
40.6		 4iqqB-1ci7A:
53.11
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) 		4 ILE A  86
ASP A 202
GLY A 206
PHE A 209
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
 0.59A 4iqqB-1ci7A:
40.6		 4iqqB-1ci7A:
53.11
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.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		4 ILE A 159
LEU A 225
GLY A 222
PHE A 221
 None
 0.83A 4iqqB-1hv5A:
undetectable		 4iqqB-1hv5A:
20.36
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) 		5 ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
 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)
 0.55A 4iqqB-1hvyA:
41.2		 4iqqB-1hvyA:
62.22
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) 		4 ILE A 108
LEU A 221
GLY A 222
PHE A 225
 D16  A 414 (-3.7A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
 0.60A 4iqqB-1hvyA:
41.2		 4iqqB-1hvyA:
62.22
Potential target for repurposing, i.e. matched protein structure has less than 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 4iqqB-1izeA:
0.0		 4iqqB-1izeA:
22.13
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		4 ASP A 655
GLY A 658
PHE A 661
TYR A 598
 None
 0.87A 4iqqB-1j1wA:
0.0		 4iqqB-1j1wA:
19.09
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) 		4 ASP C 513
LEU C 516
GLY C 517
TYR C 553
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.70A 4iqqB-1j3jC:
38.9		 4iqqB-1j3jC:
49.85
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) 		4 ILE C 403
ASP C 513
GLY C 517
TYR C 553
 None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.51A 4iqqB-1j3jC:
38.9		 4iqqB-1j3jC:
49.85
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.
1j8s PYELONEPHRITIC
ADHESIN

(Escherichia
coli) 		PF03627
(PapG_N) 		4 TYR A   7
ASP A  11
LEU A   9
GLY A  10
 None
 0.89A 4iqqB-1j8sA:
0.0		 4iqqB-1j8sA:
20.75
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.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		4 TYR A 312
ILE A 217
ASP A 476
GLY A 475
 None
 0.87A 4iqqB-1jmyA:
undetectable		 4iqqB-1jmyA:
20.37
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.
1mdu GELSOLIN PRECURSOR

(Homo sapiens) 		PF00626
(Gelsolin) 		4 TYR A 109
ILE A  46
LEU A 114
GLY A  36
 None
None
None
TRS  A 472 ( 4.7A)
 0.83A 4iqqB-1mduA:
undetectable		 4iqqB-1mduA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n71 AAC(6')-II

(Enterococcus
faecium) 		PF00583
(Acetyltransf_1) 		4 TYR A 144
ILE A 154
LEU A 109
GLY A 110
 None
 0.72A 4iqqB-1n71A:
undetectable		 4iqqB-1n71A:
18.94
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.
1pmj BETA-1,4-MANNANASE

(Caldicellulosiruptor
saccharolyticus) 		PF09212
(CBM27) 		4 ILE X 173
ASP X  61
GLY X 164
PHE X 103
 None
 0.89A 4iqqB-1pmjX:
undetectable		 4iqqB-1pmjX:
19.63
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.
1q6y HYPOTHETICAL PROTEIN
YFDW

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		4 TYR A 225
ASP A 239
GLY A 238
PHE A 237
 None
 0.86A 4iqqB-1q6yA:
undetectable		 4iqqB-1q6yA:
19.26
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.
1rgi GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		4 TYR G 133
ILE G  70
LEU G 138
GLY G  60
 None
 0.80A 4iqqB-1rgiG:
undetectable		 4iqqB-1rgiG:
22.16
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.
1rhy IMIDAZOLE GLYCEROL
PHOSPHATE
DEHYDRATASE

(Cryptococcus
neoformans) 		PF00475
(IGPD) 		4 ILE A 181
LEU A  81
GLY A  82
PHE A  85
 None
 0.72A 4iqqB-1rhyA:
undetectable		 4iqqB-1rhyA:
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.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		4 ILE A  45
LEU A 210
GLY A 211
PHE A 214
 None
 0.57A 4iqqB-1rtrA:
undetectable		 4iqqB-1rtrA:
25.07
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.
1t44 CHIMERA OF GELSOLIN
DOMAIN 1 AND
C-TERMINAL DOMAIN OF
THYMOSIN BETA-4

(Homo sapiens;
Mus musculus) 		PF00626
(Gelsolin)
PF01290
(Thymosin) 		4 TYR G 133
ILE G  70
LEU G 138
GLY G  60
 None
 0.88A 4iqqB-1t44G:
undetectable		 4iqqB-1t44G:
19.34
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) 		4 ASP A 179
GLY A 183
PHE A 186
TYR A 219
 None
 0.55A 4iqqB-1tisA:
29.9		 4iqqB-1tisA:
39.29
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) 		4 ASP A 179
LEU A 182
GLY A 183
TYR A 219
 None
 0.57A 4iqqB-1tisA:
29.9		 4iqqB-1tisA:
39.29
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.
1uch UBIQUITIN C-TERMINAL
HYDROLASE UCH-L3

(Homo sapiens) 		PF01088
(Peptidase_C12) 		4 ILE A 225
LEU A 100
GLY A  99
PHE A 170
 None
 0.86A 4iqqB-1uchA:
undetectable		 4iqqB-1uchA:
20.69
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.
1vgm 378AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		4 TYR A 310
ASP A 314
GLY A 256
PHE A 257
 None
GOL  A 401 ( 4.5A)
None
None
 0.77A 4iqqB-1vgmA:
undetectable		 4iqqB-1vgmA:
19.63
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) 		4 ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.75A 4iqqB-2aazA:
undetectable		 4iqqB-2aazA:
49.39
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.
2ff6 GELSOLIN

(Homo sapiens) 		PF00626
(Gelsolin) 		4 TYR G 133
ILE G  70
LEU G 138
GLY G  60
 None
 0.84A 4iqqB-2ff6G:
undetectable		 4iqqB-2ff6G:
18.50
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.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		4 TYR A 367
ASP A 371
GLY A 310
PHE A 311
 None
CMX  A5001 (-2.8A)
CMX  A5001 (-3.4A)
None
 0.79A 4iqqB-2h12A:
undetectable		 4iqqB-2h12A:
22.98
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) 		5 ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.77A 4iqqB-2h2qA:
40.1		 4iqqB-2h2qA:
36.08
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) 		4 ILE A 316
ASP A 426
GLY A 430
PHE A 433
 None
None
DU  A 611 (-3.5A)
None
 0.53A 4iqqB-2h2qA:
40.1		 4iqqB-2h2qA:
36.08
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.
2i53 CYCLIN K

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		4 ILE A 117
ASP A 134
GLY A 133
PHE A 132
 None
 0.83A 4iqqB-2i53A:
undetectable		 4iqqB-2i53A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2idv EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-1

(Triticum
aestivum) 		PF01652
(IF4E) 		4 ILE A 166
ASP A 148
GLY A 147
PHE A 144
 None
 0.69A 4iqqB-2idvA:
undetectable		 4iqqB-2idvA:
18.35
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) 		4 ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.76A 4iqqB-2oipA:
39.5		 4iqqB-2oipA:
32.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfc PLCR PROTEIN

(Bacillus
thuringiensis) 		PF01381
(HTH_3) 		4 ILE A 135
ASP A 176
LEU A 177
GLY A 174
 None
 0.81A 4iqqB-2qfcA:
undetectable		 4iqqB-2qfcA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r26 CITRATE SYNTHASE

(Thermoplasma
acidophilum) 		PF00285
(Citrate_synt) 		4 TYR A 313
ASP A 317
GLY A 259
PHE A 260
 None
CMC  A 701 (-2.7A)
CMC  A 701 (-3.3A)
None
 0.81A 4iqqB-2r26A:
undetectable		 4iqqB-2r26A:
20.43
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) 		4 ILE A  81
ASP A 221
GLY A 225
TYR A 261
 THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.67A 4iqqB-2tddA:
32.5		 4iqqB-2tddA:
41.01
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) 		4 LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.85A 4iqqB-2tddA:
32.5		 4iqqB-2tddA:
41.01
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.25A 4iqqB-2wedA:
undetectable		 4iqqB-2wedA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wmc EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4E

(Pisum sativum) 		PF01652
(IF4E) 		4 ILE A 179
ASP A 161
GLY A 160
PHE A 157
 None
 0.63A 4iqqB-2wmcA:
undetectable		 4iqqB-2wmcA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bo7 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN-TYPE

(Toxoplasma
gondii) 		PF00160
(Pro_isomerase) 		4 ILE A 121
ASP A 144
LEU A 143
GLY A 142
 None
 0.73A 4iqqB-3bo7A:
undetectable		 4iqqB-3bo7A:
19.44
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.
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 4iqqB-3emyA:
undetectable		 4iqqB-3emyA:
18.08
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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		4 TYR A 121
LEU A 129
GLY A 128
PHE A 126
 GOL  A 361 (-4.1A)
None
None
None
 0.86A 4iqqB-3f0hA:
undetectable		 4iqqB-3f0hA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3heb RESPONSE REGULATOR
RECEIVER DOMAIN
PROTEIN (CHEY)

(Rhodospirillum
rubrum) 		PF00072
(Response_reg) 		4 ILE A  10
LEU A 135
GLY A 136
PHE A 139
 None
 0.65A 4iqqB-3hebA:
undetectable		 4iqqB-3hebA:
19.03
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) 		4 ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
 0.85A 4iqqB-3ix6A:
32.4		 4iqqB-3ix6A:
38.85
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) 		4 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 None
 0.50A 4iqqB-3ix6A:
32.4		 4iqqB-3ix6A:
38.85
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) 		4 LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 0.73A 4iqqB-3kgbA:
36.2		 4iqqB-3kgbA:
50.93
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) 		4 ASP A 416
LEU A 419
GLY A 420
TYR A 456
 None
 0.70A 4iqqB-3kjrA:
38.8		 4iqqB-3kjrA:
35.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r5b TETRAHYDRODIPICOLINA
TE
N-SUCCINYLETRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M)
PF14790
(THDPS_N) 		4 ILE A 128
LEU A 113
GLY A 193
PHE A 210
 None
 0.83A 4iqqB-3r5bA:
undetectable		 4iqqB-3r5bA:
23.16
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.
3suj CERATO-PLATANIN 1

(Moniliophthora
perniciosa) 		PF07249
(Cerato-platanin) 		4 TYR A  29
ILE A 101
GLY A  56
PHE A  55
 None
 0.74A 4iqqB-3sujA:
undetectable		 4iqqB-3sujA:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3suk CERATO-PLATANIN-LIKE
PROTEIN

(Moniliophthora
perniciosa) 		PF07249
(Cerato-platanin) 		4 TYR A  27
ILE A  98
GLY A  54
PHE A  53
 None
 0.83A 4iqqB-3sukA:
undetectable		 4iqqB-3sukA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tu5 GELSOLIN,PROTEIN
CORDON-BLEU,THYMOSIN
BETA-4

(Homo sapiens;
Mus musculus) 		PF00626
(Gelsolin) 		4 TYR B 109
ILE B  46
LEU B 114
GLY B  36
 None
 0.89A 4iqqB-3tu5B:
undetectable		 4iqqB-3tu5B:
22.88
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.
3uca GERANYLTRANSTRANSFER
ASE

(Clostridium
perfringens) 		PF00348
(polyprenyl_synt) 		4 ILE A  54
LEU A 220
GLY A 221
PHE A 224
 None
 0.75A 4iqqB-3ucaA:
undetectable		 4iqqB-3ucaA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.72A 4iqqB-3um6A:
38.6		 4iqqB-3um6A:
28.74
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.49A 4iqqB-3um6A:
38.6		 4iqqB-3um6A:
28.74
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 ILE A 210
ASP A 287
GLY A 288
PHE A 289
 None
 0.66A 4iqqB-3uszA:
undetectable		 4iqqB-3uszA:
17.71
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) 		4 ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.53A 4iqqB-3v8hA:
33.0		 4iqqB-3v8hA:
31.48
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) 		4 ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.81A 4iqqB-3v8hA:
33.0		 4iqqB-3v8hA:
31.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		4 ILE A 447
LEU A 472
GLY A 470
TYR A 489
 None
 0.86A 4iqqB-4aeeA:
undetectable		 4iqqB-4aeeA:
17.88
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.
4aur LEOA

(Escherichia
coli) 		PF00350
(Dynamin_N) 		4 ILE A 158
ASP A  90
GLY A 111
PHE A 113
 None
 0.87A 4iqqB-4aurA:
undetectable		 4iqqB-4aurA:
20.51
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.
4bnd ALPHA-PHOSPHOGLUCOMU
TASE

(Lactococcus
lactis) 		PF03332
(PMM) 		4 ILE B 242
ASP B 212
GLY B 211
PHE B 210
 None
 0.87A 4iqqB-4bndB:
undetectable		 4iqqB-4bndB:
20.73
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) 		4 ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.80A 4iqqB-4dq1A:
33.0		 4iqqB-4dq1A:
44.76
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) 		5 ILE A  84
ASP A 224
GLY A 228
PHE A 231
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 0.40A 4iqqB-4dq1A:
33.0		 4iqqB-4dq1A:
44.76
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) 		4 ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.80A 4iqqB-4h0uA:
34.9		 4iqqB-4h0uA:
42.22
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) 		4 ILE A  82
ASP A 172
GLY A 176
TYR A 212
 None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.48A 4iqqB-4h0uA:
34.9		 4iqqB-4h0uA:
42.22
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 ILE A 212
LEU A 143
GLY A 144
PHE A 147
 None
 0.59A 4iqqB-4h1xA:
undetectable		 4iqqB-4h1xA:
23.39
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.
4ijr D-ARABINOSE
DEHYDROGENASE
[NAD(P)+] HEAVY
CHAIN

(Saccharomyces
cerevisiae) 		PF00248
(Aldo_ket_red) 		4 ILE A 292
LEU A  36
GLY A  37
TYR A  24
 None
 0.77A 4iqqB-4ijrA:
undetectable		 4iqqB-4ijrA:
23.51
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.
4k6l CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B HOMOLOG

(Salmonella
enterica) 		PF03372
(Exo_endo_phos) 		4 ILE F 124
ASP F 131
LEU F 151
GLY F 150
 None
 0.76A 4iqqB-4k6lF:
undetectable		 4iqqB-4k6lF:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o3s DNA POLYMERASE ETA

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		4 ILE A 255
LEU A 278
GLY A 276
PHE A 247
 None
None
GOL  A 504 (-3.2A)
None
 0.87A 4iqqB-4o3sA:
undetectable		 4iqqB-4o3sA:
22.02
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.
4pu5 TOXIN-ANTITOXIN
SYSTEM TOXIN HIPA
FAMILY

(Shewanella
oneidensis) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		4 ILE A  95
ASP A  75
LEU A  74
GLY A  73
 None
 0.85A 4iqqB-4pu5A:
undetectable		 4iqqB-4pu5A:
21.75
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.
4u9o NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		4 ILE A 239
ASP A 179
LEU A 178
GLY A 177
 None
 0.89A 4iqqB-4u9oA:
undetectable		 4iqqB-4u9oA:
22.54
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.
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri) 		PF03480
(DctP) 		4 TYR A 244
ILE A 260
LEU A 242
GLY A 146
 None
 0.89A 4iqqB-4x04A:
undetectable		 4iqqB-4x04A:
20.45
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) 		4 ASP A 206
LEU A 209
GLY A 210
TYR A 246
 None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.73A 4iqqB-4xscA:
38.6		 4iqqB-4xscA:
56.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 ILE A  96
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.42A 4iqqB-4xscA:
38.6		 4iqqB-4xscA:
56.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		4 TYR G 109
ILE G  46
LEU G 114
GLY G  36
 None
 0.89A 4iqqB-4z94G:
undetectable		 4iqqB-4z94G:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aju PHOSPHORIBOHYDROLASE
LONELY GUY

(Claviceps
purpurea) 		PF03641
(Lysine_decarbox) 		4 ILE A 165
LEU A 179
GLY A 150
TYR A 185
 None
 0.87A 4iqqB-5ajuA:
undetectable		 4iqqB-5ajuA:
21.34
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) 		4 ASP A 212
LEU A 215
GLY A 216
TYR A 252
 None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 0.77A 4iqqB-5by6A:
42.2		 4iqqB-5by6A:
58.54
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 ILE A 102
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.44A 4iqqB-5by6A:
42.2		 4iqqB-5by6A:
58.54
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		4 ILE A  94
LEU A 148
GLY A 145
PHE A 144
 None
 0.86A 4iqqB-5czwA:
undetectable		 4iqqB-5czwA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3q 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Corynebacterium
glutamicum) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M) 		4 ILE A  89
LEU A  74
GLY A 153
PHE A 170
 None
 0.68A 4iqqB-5e3qA:
undetectable		 4iqqB-5e3qA:
22.87
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 ILE A 132
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.34A 4iqqB-5h3aA:
41.5		 4iqqB-5h3aA:
58.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4iqqB-5hctA:
undetectable		 4iqqB-5hctA:
21.41
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.
5ic7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 ILE A 288
ASP A 334
GLY A 335
PHE A 330
 None
 0.88A 4iqqB-5ic7A:
undetectable		 4iqqB-5ic7A:
20.95
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
 0.84A 4iqqB-5j7wA:
32.7		 4iqqB-5j7wA:
43.63
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 ILE A  80
ASP A 220
GLY A 224
PHE A 227
TYR A 260
 None
 0.66A 4iqqB-5j7wA:
32.7		 4iqqB-5j7wA:
43.63
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.
5me6 EUKARYOTIC
TRANSCRIPTION
INITIATION FACTOR 4E

(Cucumis melo) 		PF01652
(IF4E) 		4 ILE A 186
ASP A 168
GLY A 167
PHE A 164
 ILE  A 186 ( 0.7A)
ASP  A 168 ( 0.6A)
GLY  A 167 ( 0.0A)
PHE  A 164 ( 1.3A)
 0.88A 4iqqB-5me6A:
undetectable		 4iqqB-5me6A:
19.18
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.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B

(Acinetobacter
calcoaceticus) 		no annotation 4 ILE A  94
LEU A 149
GLY A  81
PHE A  82
 None
 0.75A 4iqqB-5minA:
undetectable		 4iqqB-5minA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 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 4iqqB-5p60A:
undetectable		 4iqqB-5p60A:
21.73
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.
5sy5 NEURONAL PAS
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF08447
(PAS_3) 		4 ILE B 271
ASP B 147
GLY B 148
PHE B 149
 None
 0.79A 4iqqB-5sy5B:
undetectable		 4iqqB-5sy5B:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sy7 NEURONAL PAS
DOMAIN-CONTAINING
PROTEIN 3

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF08447
(PAS_3) 		4 ILE B 291
ASP B 164
GLY B 165
PHE B 166
 None
 0.69A 4iqqB-5sy7B:
undetectable		 4iqqB-5sy7B:
22.69
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) 		5 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 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)
 0.46A 4iqqB-5t0lA:
40.1		 4iqqB-5t0lA:
33.33
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) 		4 ILE A 402
LEU A 516
GLY A 517
PHE A 520
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.55A 4iqqB-5t0lA:
40.1		 4iqqB-5t0lA:
33.33
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.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		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)
PF10385
(RNA_pol_Rpb2_45) 		4 ILE C 627
LEU C  44
GLY C  43
TYR C 494
 None
 0.85A 4iqqB-5tw1C:
undetectable		 4iqqB-5tw1C:
14.85
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.
5uc5 CHS2 CHALCONE
SYNTHASE

(Malus domestica) 		no annotation 4 ILE A 114
LEU A 150
GLY A 149
TYR A 153
 None
 0.90A 4iqqB-5uc5A:
undetectable		 4iqqB-5uc5A:
14.63
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.
5vgr ATLASTIN-3

(Homo sapiens) 		PF02263
(GBP)
PF02841
(GBP_C) 		4 ILE A 178
GLY A 228
PHE A 231
TYR A 299
 None
 0.77A 4iqqB-5vgrA:
undetectable		 4iqqB-5vgrA:
22.86
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.
5wno RECEPTOR
TYROSINE-PROTEIN
KINASE LET-23

(Caenorhabditis
elegans) 		no annotation 4 ILE A 949
LEU A1031
GLY A1030
PHE A1029
 None
 0.70A 4iqqB-5wnoA:
undetectable		 4iqqB-5wnoA:
16.02
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.
5xz3 PEPTIDOGLYCAN-RECOGN
ITION PROTEIN

(Apis mellifera) 		no annotation 4 TYR A  72
ILE A  70
GLY A  87
TYR A  26
 None
 0.90A 4iqqB-5xz3A:
undetectable		 4iqqB-5xz3A:
undetectable
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
ASP A 177
GLY A 181
PHE A 184
TYR A 217
 PGE  A 301 ( 4.2A)
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 0.58A 4iqqB-6aujA:
32.8		 4iqqB-6aujA:
43.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
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 ( 4.2A)
 0.56A 4iqqB-6cdzA:
35.2		 4iqqB-6cdzA:
39.64
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.
6ezm IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Saccharomyces
cerevisiae) 		no annotation 4 ILE U 200
LEU U 100
GLY U 101
PHE U 104
 None
 0.78A 4iqqB-6ezmU:
undetectable		 4iqqB-6ezmU:
16.06