SIMILAR PATTERNS OF AMINO ACIDS FOR 4EB4_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
 1.18A 4eb4B-1am5A:
0.0		 4eb4B-1am5A:
22.19
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.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ILE A 283
ASP A  48
GLY A 239
PHE A 238
ALA A 367
 None
 1.07A 4eb4B-1bs0A:
0.0		 4eb4B-1bs0A:
22.08
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 ASP A 184
GLY A 188
PHE A 191
ASN A 192
TYR A 224
 None
 0.58A 4eb4B-1bsfA:
31.2		 4eb4B-1bsfA:
35.81
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
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
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)
CB3  A 768 (-3.8A)
 0.68A 4eb4B-1ci7A:
42.9		 4eb4B-1ci7A:
58.73
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
ILE A  86
TRP A  87
ASP A 202
GLY A 206
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.68A 4eb4B-1ci7A:
42.9		 4eb4B-1ci7A:
58.73
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.
1e69 CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF02463
(SMC_N) 		5 PHE A1100
ILE A1132
ASP A1145
PHE A  22
ALA A1143
 None
 1.22A 4eb4B-1e69A:
0.0		 4eb4B-1e69A:
21.79
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 PHE A 126
LEU A 135
GLY A 134
PHE A 132
ALA A 182
 None
 1.26A 4eb4B-1hkkA:
0.0		 4eb4B-1hkkA:
22.11
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) 		11 PHE A  80
ILE A 108
ASP A 218
LEU A 221
GLY A 222
PHE A 225
ASN A 226
TYR A 258
LYS A 308
MET A 311
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
None
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.62A 4eb4B-1hvyA:
47.7		 4eb4B-1hvyA:
93.06
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) 		11 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
MET A 311
ALA A 312
 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)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.48A 4eb4B-1hvyA:
47.7		 4eb4B-1hvyA:
93.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyh L-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Weissella
confusa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 216
GLY A 180
PHE A 183
MET A 175
ALA A 173
 None
 1.14A 4eb4B-1hyhA:
undetectable		 4eb4B-1hyhA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.17A 4eb4B-1izeA:
undetectable		 4eb4B-1izeA:
21.05
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)
 0.46A 4eb4B-1j3jC:
41.0		 4eb4B-1j3jC:
50.91
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)
 0.53A 4eb4B-1j3jC:
41.0		 4eb4B-1j3jC:
50.91
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.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		5 LEU A 667
GLY A 700
ASN A 702
MET A 725
ALA A 728
 None
 1.26A 4eb4B-1k7yA:
undetectable		 4eb4B-1k7yA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lkd BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF00903
(Glyoxalase) 		5 PHE A 137
LEU A 144
GLY A 145
TYR A  65
ALA A  63
 None
 1.07A 4eb4B-1lkdA:
undetectable		 4eb4B-1lkdA:
20.60
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
 0.75A 4eb4B-1tisA:
30.2		 4eb4B-1tisA:
41.10
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
LEU A 182
GLY A 183
PHE A 186
TYR A 219
 None
 1.04A 4eb4B-1tisA:
30.2		 4eb4B-1tisA:
41.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		5 PHE A  70
ILE A   8
LEU A  62
GLY A  35
ALA A  64
 None
 1.21A 4eb4B-1tltA:
undetectable		 4eb4B-1tltA:
22.32
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 LEU A 178
GLY A 134
PHE A 132
LYS A 175
ALA A 165
 None
 1.26A 4eb4B-1wb0A:
undetectable		 4eb4B-1wb0A:
20.09
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 PHE A 126
LEU A 135
GLY A 134
PHE A 132
ALA A 182
 None
 1.27A 4eb4B-1wb0A:
undetectable		 4eb4B-1wb0A:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		7 ILE A 100
TRP A 101
ASP A 219
GLY A 223
ASN A 227
TYR A 259
MET A 315
 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)
CB3  A2351 (-3.4A)
 0.51A 4eb4B-2aazA:
undetectable		 4eb4B-2aazA:
59.57
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) 		8 PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.94A 4eb4B-2aazA:
undetectable		 4eb4B-2aazA:
59.57
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) 		8 PHE A  72
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.70A 4eb4B-2aazA:
undetectable		 4eb4B-2aazA:
59.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c2l CARBOXY TERMINUS OF
HSP70-INTERACTING
PROTEIN

(Mus musculus) 		PF04564
(U-box)
PF12895
(ANAPC3) 		5 ILE A 236
ASP A 135
GLY A 133
ASN A 131
ALA A 139
 None
 1.25A 4eb4B-2c2lA:
undetectable		 4eb4B-2c2lA:
22.70
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 330
LEU A 185
GLY A 180
PHE A 179
ALA A 284
 None
 1.14A 4eb4B-2cb1A:
undetectable		 4eb4B-2cb1A:
21.83
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 185
GLY A 180
PHE A 179
TYR A   3
ALA A 280
 None
 1.02A 4eb4B-2cb1A:
undetectable		 4eb4B-2cb1A:
21.83
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.
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
 1.25A 4eb4B-2ct6A:
undetectable		 4eb4B-2ct6A:
14.09
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.
2eyu TWITCHING MOTILITY
PROTEIN PILT

(Aquifex
aeolicus) 		PF00437
(T2SSE) 		5 ILE A 276
LEU A 295
GLY A 294
LYS A 127
MET A 327
 None
 1.30A 4eb4B-2eyuA:
undetectable		 4eb4B-2eyuA:
21.36
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)
 0.84A 4eb4B-2h2qA:
39.1		 4eb4B-2h2qA:
39.16
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)
 0.53A 4eb4B-2h2qA:
39.1		 4eb4B-2h2qA:
39.16
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 PHE A 288
ILE A 316
TRP A 317
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-4.6A)
 0.74A 4eb4B-2h2qA:
39.1		 4eb4B-2h2qA:
39.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 315
ASP A 426
GLY A 430
PHE A 433
ASN A 434
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.98A 4eb4B-2oipA:
43.8		 4eb4B-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 315
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.95A 4eb4B-2oipA:
43.8		 4eb4B-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 315
TRP A 316
ASP A 426
GLY A 430
ASN A 434
LYS A 516
MET A 519
 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)
None
CB3  A 604 ( 3.5A)
 0.74A 4eb4B-2oipA:
43.8		 4eb4B-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 315
TRP A 316
ASP A 426
GLY A 430
ASN A 434
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.52A 4eb4B-2oipA:
43.8		 4eb4B-2oipA:
34.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p88 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bacillus cereus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 131
LEU A 321
GLY A 294
ASN A 265
ALA A 302
 None
 1.23A 4eb4B-2p88A:
undetectable		 4eb4B-2p88A:
19.84
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)
 0.82A 4eb4B-2tddA:
34.6		 4eb4B-2tddA:
43.60
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)
 1.14A 4eb4B-2tddA:
34.6		 4eb4B-2tddA:
43.60
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		5 LEU A   4
GLY A  16
PHE A  26
ASN A  27
ALA A  90
 None
 1.04A 4eb4B-2vwbA:
undetectable		 4eb4B-2vwbA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.20A 4eb4B-2wedA:
undetectable		 4eb4B-2wedA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xom ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE

(Thermotoga
maritima) 		no annotation 5 PHE A  92
ILE A 157
GLY A  29
PHE A 160
ALA A  52
 None
None
CA  A1169 (-3.7A)
None
None
 1.21A 4eb4B-2xomA:
undetectable		 4eb4B-2xomA:
20.40
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 PHE A 126
LEU A 135
GLY A 134
PHE A 132
ALA A 182
 None
 1.28A 4eb4B-2ybuA:
undetectable		 4eb4B-2ybuA:
21.16
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.
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
 1.15A 4eb4B-3emyA:
undetectable		 4eb4B-3emyA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 ILE A 171
LEU A 192
GLY A 191
ASN A 259
ALA A 179
 None
 1.20A 4eb4B-3htxA:
undetectable		 4eb4B-3htxA:
15.91
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 PHE A 229
ILE A 256
LEU A 232
PHE A 228
ALA A 264
 SAH  A 401 ( 4.8A)
None
None
SAH  A 401 (-3.4A)
None
 1.20A 4eb4B-3i58A:
undetectable		 4eb4B-3i58A:
23.16
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
 0.68A 4eb4B-3ix6A:
33.1		 4eb4B-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
 1.17A 4eb4B-3ix6A:
33.1		 4eb4B-3ix6A:
42.11
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) 		7 PHE A  60
ASP A 197
LEU A 200
GLY A 201
PHE A 204
ASN A 205
TYR A 237
 None
 1.00A 4eb4B-3kgbA:
36.0		 4eb4B-3kgbA:
58.39
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 ILE A 306
ASP A 416
LEU A 419
GLY A 420
TYR A 456
MET A 509
 GOL  A 516 (-3.9A)
None
None
None
None
GOL  A 516 (-4.0A)
 0.68A 4eb4B-3kjrA:
43.5		 4eb4B-3kjrA:
34.30
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 ILE A 306
GLY A 420
PHE A 423
ASN A 424
TYR A 456
MET A 509
 GOL  A 516 (-3.9A)
None
None
None
None
GOL  A 516 (-4.0A)
 1.07A 4eb4B-3kjrA:
43.5		 4eb4B-3kjrA:
34.30
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 ILE A 306
LEU A 419
GLY A 420
PHE A 423
TYR A 456
MET A 509
 GOL  A 516 (-3.9A)
None
None
None
None
GOL  A 516 (-4.0A)
 0.99A 4eb4B-3kjrA:
43.5		 4eb4B-3kjrA:
34.30
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) 		7 ILE A 306
TRP A 307
ASP A 416
GLY A 420
ASN A 424
TYR A 456
MET A 509
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
GOL  A 516 (-4.0A)
 0.79A 4eb4B-3kjrA:
43.5		 4eb4B-3kjrA:
34.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 PHE A 226
LEU A 233
GLY A 250
TYR A 234
ALA A 235
 None
 1.30A 4eb4B-3olzA:
undetectable		 4eb4B-3olzA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 PHE B 354
ILE B 433
ASP B 623
GLY B 614
ASN B 616
 None
 1.28A 4eb4B-3prxB:
undetectable		 4eb4B-3prxB:
11.29
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.
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)
 0.54A 4eb4B-3um6A:
41.1		 4eb4B-3um6A:
28.78
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.
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)
 0.56A 4eb4B-3um6A:
41.1		 4eb4B-3um6A:
28.78
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)
 0.66A 4eb4B-3v8hA:
34.1		 4eb4B-3v8hA:
34.68
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)
 0.79A 4eb4B-3v8hA:
34.1		 4eb4B-3v8hA:
34.68
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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 ILE A 200
ASP A 238
LEU A 241
GLY A 183
ALA A 205
 None
 1.13A 4eb4B-3wtbA:
undetectable		 4eb4B-3wtbA:
21.34
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.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 PHE A 131
LEU A 140
GLY A 139
PHE A 137
ALA A 182
 None
 1.28A 4eb4B-4ay1A:
undetectable		 4eb4B-4ay1A:
21.11
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
GLY A 228
PHE A 231
ASN A 232
TYR A 264
 None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.27A 4eb4B-4dq1A:
34.6		 4eb4B-4dq1A:
46.73
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) 		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)
 0.62A 4eb4B-4dq1A:
34.6		 4eb4B-4dq1A:
46.73
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) 		5 ASP A 224
LEU A 227
GLY A 228
TYR A 264
LYS A 313
 None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
None
 0.92A 4eb4B-4dq1A:
34.6		 4eb4B-4dq1A:
46.73
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) 		5 ILE A  84
ASP A 224
PHE A 231
ASN A 232
TYR A 264
 None
None
None
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.69A 4eb4B-4dq1A:
34.6		 4eb4B-4dq1A:
46.73
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 ILE A  92
ASP A  86
GLY A  85
PHE A  88
LYS A 102
 None
 1.20A 4eb4B-4e3aA:
undetectable		 4eb4B-4e3aA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE

(Oceanicola
granulosus) 		PF00294
(PfkB) 		5 ILE A 276
ASP A 264
GLY A 261
PHE A 258
ALA A 268
 None
 1.17A 4eb4B-4e69A:
undetectable		 4eb4B-4e69A:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		6 ILE A  79
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.89A 4eb4B-4fogA:
37.7		 4eb4B-4fogA:
48.21
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)
 0.59A 4eb4B-4fogA:
37.7		 4eb4B-4fogA:
48.21
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)
 0.46A 4eb4B-4iqqA:
41.7		 4eb4B-4iqqA:
62.78
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.
4rcj YTH
DOMAIN-CONTAINING
FAMILY PROTEIN 1

(Homo sapiens) 		PF04146
(YTH) 		5 PHE A 536
ILE A 406
TRP A 478
ASP A 483
PHE A 533
 None
 1.11A 4eb4B-4rcjA:
undetectable		 4eb4B-4rcjA:
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.
4rs3 ABC TRANSPORTER,
CARBOHYDRATE UPTAKE
TRANSPORTER-2 (CUT2)
FAMILY, PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 ILE A 245
GLY A 265
PHE A 263
MET A 148
ALA A 149
 None
 1.26A 4eb4B-4rs3A:
undetectable		 4eb4B-4rs3A:
22.64
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.
4rsm PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 ILE A 245
GLY A 265
PHE A 263
MET A 148
ALA A 149
 None
 1.25A 4eb4B-4rsmA:
undetectable		 4eb4B-4rsmA:
22.19
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.
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
 1.18A 4eb4B-4rt6A:
undetectable		 4eb4B-4rt6A:
15.45
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.
4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT

(Pseudomonas
mendocina) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 PHE A 233
ILE A 205
GLY A 207
MET A 214
ALA A 212
 None
None
None
None
FAD  A 402 (-3.3A)
 1.28A 4eb4B-4wqmA:
undetectable		 4eb4B-4wqmA:
23.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		8 PHE A  68
ILE A  96
ASP A 206
LEU A 209
GLY A 210
PHE A 213
ASN A 214
TYR A 246
 None
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 0.68A 4eb4B-4xscA:
40.1		 4eb4B-4xscA:
65.92
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 PHE A  68
ILE A  96
TRP A  97
PHE A 213
ASN A 214
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
1PE  A1002 (-3.8A)
BVP  A1001 (-2.8A)
 0.72A 4eb4B-4xscA:
40.1		 4eb4B-4xscA:
65.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuy PROBABLE
ENDO-1,4-BETA-XYLANA
SE C

(Aspergillus
niger) 		PF00331
(Glyco_hydro_10) 		5 PHE A  35
ILE A 290
LEU A 309
ASN A  45
ALA A 269
 None
 1.19A 4eb4B-4xuyA:
undetectable		 4eb4B-4xuyA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ye9 GLUTAMINE--TRNA
LIGASE

(Homo sapiens) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1) 		5 PHE A 268
ILE A 284
GLY A 289
PHE A 288
ALA A 537
 None
 1.10A 4eb4B-4ye9A:
undetectable		 4eb4B-4ye9A:
16.86
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 5 ASP A 330
GLY A 331
PHE A 305
MET A 373
ALA A 375
 None
 1.27A 4eb4B-5ah0A:
undetectable		 4eb4B-5ah0A:
20.61
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
 None
 1.22A 4eb4B-5bs5A:
undetectable		 4eb4B-5bs5A:
20.97
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)
 0.66A 4eb4B-5by6A:
41.7		 4eb4B-5by6A:
63.06
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)
 0.62A 4eb4B-5by6A:
41.7		 4eb4B-5by6A:
63.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		5 ILE A  19
GLY A 418
PHE A 417
ASN A 415
ALA A  15
 None
 1.23A 4eb4B-5dgqA:
undetectable		 4eb4B-5dgqA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5es2 UNCHARACTERIZED
PROTEIN LPG0634

(Legionella
pneumophila) 		PF16848
(SoDot-IcmSS) 		5 PHE A  75
LEU A 129
GLY A 128
TYR A 168
ALA A 164
 None
 1.15A 4eb4B-5es2A:
undetectable		 4eb4B-5es2A:
22.85
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)
 0.45A 4eb4B-5h3aA:
42.2		 4eb4B-5h3aA:
71.83
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.19A 4eb4B-5hctA:
undetectable		 4eb4B-5hctA:
19.21
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.
5hgc SERPIN

(Taeniopygia
guttata) 		PF00079
(Serpin) 		5 PHE A  42
ILE A  62
LEU A  85
ASN A  35
ALA A  70
 None
 1.05A 4eb4B-5hgcA:
undetectable		 4eb4B-5hgcA:
21.57
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 ASP A 220
LEU A 223
GLY A 224
PHE A 227
ASN A 228
TYR A 260
 None
 0.76A 4eb4B-5j7wA:
34.2		 4eb4B-5j7wA:
48.12
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
PHE A 227
ASN A 228
TYR A 260
 None
 0.80A 4eb4B-5j7wA:
34.2		 4eb4B-5j7wA:
48.12
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.
5lxz SECRETED PROTEIN

(Streptomyces
lividans) 		PF07646
(Kelch_2)
PF09118
(DUF1929) 		5 ILE B 350
ASP B 297
LEU B 295
GLY B 296
ASN B 618
 None
EDO  B 713 (-3.3A)
EDO  B 713 (-3.9A)
EDO  B 713 (-3.6A)
None
 1.14A 4eb4B-5lxzB:
undetectable		 4eb4B-5lxzB:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no5 ABYA5

(Verrucosispora) 		no annotation 5 ASP A 200
LEU A 199
GLY A 196
PHE A 195
ALA A 203
 None
 1.29A 4eb4B-5no5A:
undetectable		 4eb4B-5no5A:
11.33
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.19A 4eb4B-5p60A:
undetectable		 4eb4B-5p60A:
18.62
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) 		11 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
MET A 608
ALA A 609
 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)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.37A 4eb4B-5t0lA:
44.6		 4eb4B-5t0lA:
35.16
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.
5uqi PHOSPHOSUGAR
ISOMERASE

(Escherichia
coli) 		no annotation 5 PHE A 123
ILE A  97
LEU A 131
GLY A 101
ALA A 108
 None
 1.13A 4eb4B-5uqiA:
undetectable		 4eb4B-5uqiA:
13.40
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 PHE A1719
LEU A1728
GLY A1727
PHE A1725
ALA A1773
 None
 1.24A 4eb4B-5y29A:
undetectable		 4eb4B-5y29A:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 PHE A2166
LEU A2175
GLY A2174
PHE A2172
ALA A2220
 None
 1.28A 4eb4B-5y2aA:
undetectable		 4eb4B-5y2aA:
15.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 ASP A 177
GLY A 181
PHE A 184
ASN A 185
TYR A 217
 None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
PGE  A 301 ( 4.9A)
None
 0.49A 4eb4B-6aujA:
33.1		 4eb4B-6aujA:
50.00
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
 0.77A 4eb4B-6aujA:
33.1		 4eb4B-6aujA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 ILE A  87
GLY A 181
PHE A 184
ASN A 185
TYR A 217
 PGE  A 301 ( 4.2A)
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
PGE  A 301 ( 4.9A)
None
 0.72A 4eb4B-6aujA:
33.1		 4eb4B-6aujA:
50.00
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 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
LYS A 259
 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)
None
 0.56A 4eb4B-6cdzA:
37.1		 4eb4B-6cdzA:
39.81