SIMILAR PATTERNS OF AMINO ACIDS FOR 4EB4_C_D16C402_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
 1.19A 4eb4C-1am5A:
0.0		 4eb4C-1am5A:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		6 ILE A  93
ASP A 184
GLY A 188
PHE A 191
ASN A 192
TYR A 224
 None
 0.73A 4eb4C-1bsfA:
30.9		 4eb4C-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) 		8 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.67A 4eb4C-1ci7A:
40.4		 4eb4C-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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 ARG A 117
ILE A 451
ASP A 481
LEU A 480
GLY A 776
 None
 1.50A 4eb4C-1e4oA:
0.0		 4eb4C-1e4oA:
18.45
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
ILE A 108
ASP A 218
LEU A 221
GLY A 222
PHE A 225
ASN A 226
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
 0.48A 4eb4C-1hvyA:
44.0		 4eb4C-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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.14A 4eb4C-1izeA:
undetectable		 4eb4C-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)
 0.65A 4eb4C-1j3jC:
40.6		 4eb4C-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)
 0.49A 4eb4C-1j3jC:
40.6		 4eb4C-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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 PHE A 562
ILE A 536
ASP A 551
LEU A 554
PHE A 579
 None
 1.49A 4eb4C-1jx2A:
0.0		 4eb4C-1jx2A:
15.33
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 ARG A 868
ILE A 882
ASP A 886
GLY A 891
PHE A 895
 None
 1.44A 4eb4C-1k32A:
0.0		 4eb4C-1k32A:
16.04
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 PHE A  66
ILE A 124
GLY A 110
ASN A 108
TYR A 246
 None
 1.22A 4eb4C-1lrwA:
undetectable		 4eb4C-1lrwA:
18.83
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
 0.71A 4eb4C-1tisA:
30.2		 4eb4C-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.
1u6t SH3 DOMAIN-BINDING
GLUTAMIC
ACID-RICH-LIKE
PROTEIN

(Homo sapiens) 		PF04908
(SH3BGR) 		5 PHE A  81
ILE A  68
LEU A  96
GLY A  95
PHE A  93
 None
 1.33A 4eb4C-1u6tA:
undetectable		 4eb4C-1u6tA:
15.69
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.
1url SIALOADHESIN

(Mus musculus) 		PF07686
(V-set) 		5 PHE A  98
ILE A  36
LEU A  70
GLY A  72
ASN A  73
 None
 1.49A 4eb4C-1urlA:
undetectable		 4eb4C-1urlA:
14.95
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 ARG A 103
ILE A 129
GLY A 288
PHE A 307
TYR A 268
 None
 1.04A 4eb4C-1z7mA:
undetectable		 4eb4C-1z7mA:
22.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		6 PHE A  72
ILE A 100
ASP A 219
GLY A 223
ASN A 227
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.71A 4eb4C-2aazA:
undetectable		 4eb4C-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) 		6 PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.79A 4eb4C-2aazA:
undetectable		 4eb4C-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) 		6 PHE A  72
ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.12A 4eb4C-2aazA:
undetectable		 4eb4C-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.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
DELTA CHAIN

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 ILE C  79
ASP C  64
LEU C  67
GLY C 116
ASN C 115
 None
 1.33A 4eb4C-2bg9C:
undetectable		 4eb4C-2bg9C:
21.19
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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 ILE A 119
ASP A 124
GLY A 176
PHE A 179
ASN A 180
 None
 1.24A 4eb4C-2cl2A:
undetectable		 4eb4C-2cl2A:
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.
2ct6 SH3 DOMAIN-BINDING
GLUTAMIC
ACID-RICH-LIKE
PROTEIN 2

(Homo sapiens) 		PF04908
(SH3BGR) 		5 PHE A  89
ILE A  76
LEU A 104
GLY A 103
PHE A 101
 None
 1.27A 4eb4C-2ct6A:
undetectable		 4eb4C-2ct6A:
14.09
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)
 0.83A 4eb4C-2h2qA:
39.8		 4eb4C-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)
 0.56A 4eb4C-2h2qA:
39.8		 4eb4C-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) 		5 ILE A 315
ASP A 426
GLY A 430
ASN A 434
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
 0.56A 4eb4C-2oipA:
40.6		 4eb4C-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) 		5 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.78A 4eb4C-2oipA:
40.6		 4eb4C-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) 		5 ILE A 315
GLY A 430
PHE A 433
ASN A 434
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
 1.34A 4eb4C-2oipA:
40.6		 4eb4C-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) 		5 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.26A 4eb4C-2oipA:
40.6		 4eb4C-2oipA:
34.30
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 ILE A  81
ASP A 221
GLY A 225
ASN A 229
TYR A 261
 THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-3.7A)
UFP  A 529 (-4.7A)
 0.59A 4eb4C-2tddA:
33.5		 4eb4C-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) 		5 ILE A  81
GLY A 225
PHE A 228
ASN A 229
TYR A 261
 THF  A 568 ( 4.8A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
UFP  A 529 (-4.7A)
 1.27A 4eb4C-2tddA:
33.5		 4eb4C-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.
2w9x PUTATIVE ACETYL
XYLAN ESTERASE

(Cellvibrio
japonicus) 		PF00657
(Lipase_GDSL) 		5 ARG A  35
LEU A 244
GLY A 201
PHE A 200
ASN A 205
 None
None
None
GOL  A1363 (-3.8A)
GOL  A1363 ( 4.7A)
 1.40A 4eb4C-2w9xA:
undetectable		 4eb4C-2w9xA:
21.52
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.19A 4eb4C-2wedA:
undetectable		 4eb4C-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.
2xj9 MIPZ

(Caulobacter
vibrioides) 		PF09140
(MipZ) 		5 PHE A  97
ILE A 109
ASP A  78
LEU A  74
PHE A  93
 None
 1.49A 4eb4C-2xj9A:
undetectable		 4eb4C-2xj9A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 PHE X 551
ILE X 525
ASP X 540
LEU X 543
PHE X 568
 None
 1.37A 4eb4C-2y9eX:
undetectable		 4eb4C-2y9eX:
18.45
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ARG A 324
ASP A 277
LEU A 260
GLY A 278
ASN A 281
 None
 1.32A 4eb4C-2yxxA:
undetectable		 4eb4C-2yxxA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 4eb4C-3emyA:
undetectable		 4eb4C-3emyA:
20.23
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
 0.83A 4eb4C-3ix6A:
33.4		 4eb4C-3ix6A:
42.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 ILE A  79
ASP A 169
GLY A 173
ASN A 177
TYR A 209
 None
 0.60A 4eb4C-3ix6A:
33.4		 4eb4C-3ix6A:
42.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 None
 1.30A 4eb4C-3ix6A:
33.4		 4eb4C-3ix6A:
42.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jxz ALKYLPURINE DNA
GLYCOSYLASE ALKD

(Bacillus cereus) 		PF08713
(DNA_alkylation) 		5 ILE A 131
ASP A 122
LEU A 125
GLY A 121
PHE A 153
 None
 1.37A 4eb4C-3jxzA:
undetectable		 4eb4C-3jxzA:
18.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		6 PHE A  60
LEU A 200
GLY A 201
PHE A 204
ASN A 205
TYR A 237
 None
 0.76A 4eb4C-3kgbA:
36.3		 4eb4C-3kgbA:
58.39
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.
3n9v TYPE II
INOSITOL-1,4,5-TRISP
HOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 ILE A 418
ASP A 447
LEU A 448
GLY A 446
ASN A 398
 None
 1.38A 4eb4C-3n9vA:
undetectable		 4eb4C-3n9vA:
19.35
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.
3n9v TYPE II
INOSITOL-1,4,5-TRISP
HOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 PHE A 491
ASP A 447
LEU A 448
GLY A 446
ASN A 398
 None
 1.36A 4eb4C-3n9vA:
undetectable		 4eb4C-3n9vA:
19.35
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.
3obi FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Rhodopseudomonas
palustris) 		PF00551
(Formyl_trans_N) 		5 PHE A 130
ILE A 121
ASP A 137
GLY A 136
PHE A 135
 None
 1.42A 4eb4C-3obiA:
undetectable		 4eb4C-3obiA:
21.43
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.
3p91 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Entamoeba
histolytica) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 PHE A   4
ILE A  68
LEU A 119
GLY A  71
ASN A  29
 None
 1.37A 4eb4C-3p91A:
undetectable		 4eb4C-3p91A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 PHE A 609
ILE A 341
ASP A 313
LEU A 296
PHE A 294
 None
 1.39A 4eb4C-3q3hA:
undetectable		 4eb4C-3q3hA:
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.
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
 1.44A 4eb4C-3ritA:
undetectable		 4eb4C-3ritA:
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.
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)
 0.69A 4eb4C-3um6A:
40.8		 4eb4C-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)
 0.48A 4eb4C-3um6A:
40.8		 4eb4C-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 LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 1.28A 4eb4C-3um6A:
40.8		 4eb4C-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)
 0.69A 4eb4C-3v8hA:
34.2		 4eb4C-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)
 0.87A 4eb4C-3v8hA:
34.2		 4eb4C-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.
3wo8 BETA-N-ACETYLGLUCOSA
MINIDASE

(Thermotoga
maritima) 		PF00933
(Glyco_hydro_3) 		5 PHE A  16
ARG A  25
ILE A  24
ASP A 277
GLY A  12
 None
 1.48A 4eb4C-3wo8A:
undetectable		 4eb4C-3wo8A:
20.52
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.
4a5z MIT
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF16565
(MIT_C) 		5 ILE A 205
ASP A 243
GLY A 202
PHE A 199
ASN A 201
 None
 1.29A 4eb4C-4a5zA:
undetectable		 4eb4C-4a5zA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4boo ACETYLCHOLINE
RECEPTOR DELTA
SUBUNIT

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 ILE C  79
ASP C  64
LEU C  67
GLY C 116
ASN C 115
 None
 1.31A 4eb4C-4booC:
undetectable		 4eb4C-4booC:
18.44
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.
4cmn INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 PHE A 466
ASP A 422
LEU A 423
GLY A 421
ASN A 373
 None
PO4  A1560 ( 4.9A)
None
None
None
 1.43A 4eb4C-4cmnA:
undetectable		 4eb4C-4cmnA:
21.43
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)
 0.80A 4eb4C-4dq1A:
34.0		 4eb4C-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) 		6 ILE A  84
ASP A 224
GLY A 228
PHE A 231
ASN A 232
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.56A 4eb4C-4dq1A:
34.0		 4eb4C-4dq1A:
46.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		5 ILE A  79
ASP A 169
GLY A 173
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.59A 4eb4C-4fogA:
36.4		 4eb4C-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) 		5 ILE A  79
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 1.07A 4eb4C-4fogA:
36.4		 4eb4C-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 ILE A  82
ASP A 172
GLY A 176
ASN A 180
TYR A 212
 None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-3.0A)
UMP  A 301 (-4.5A)
 0.52A 4eb4C-4h0uA:
35.4		 4eb4C-4h0uA:
46.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h1x PHOSPHATE-BINDING
PROTEIN PSTS 2

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		5 PHE A 150
ILE A 151
ASP A 232
LEU A 184
GLY A 144
 None
 1.40A 4eb4C-4h1xA:
undetectable		 4eb4C-4h1xA:
20.89
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)
 0.26A 4eb4C-4iqqA:
42.6		 4eb4C-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.
4jpq UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF16011
(CBM9_2) 		5 PHE A 122
ILE A 191
ASP A 110
LEU A 143
PHE A 135
 None
 1.33A 4eb4C-4jpqA:
undetectable		 4eb4C-4jpqA:
22.46
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.
4l9z MALYL-COA LYASE

(Rhodobacter
sphaeroides) 		PF03328
(HpcH_HpaI) 		5 PHE A  28
ILE A  59
ASP A 101
LEU A  73
ASN A  40
 None
 1.29A 4eb4C-4l9zA:
undetectable		 4eb4C-4l9zA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 PHE A 560
ILE A 511
ASP A 622
GLY A 625
PHE A 626
 None
 1.38A 4eb4C-4lq1A:
undetectable		 4eb4C-4lq1A:
17.78
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.
4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP

(Shewanella
oneidensis) 		PF03480
(DctP) 		5 PHE A  75
ASP A  83
GLY A  82
PHE A  81
ASN A  85
 None
SIN  A 401 ( 4.1A)
None
None
None
 1.34A 4eb4C-4mx6A:
undetectable		 4eb4C-4mx6A:
21.95
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.
4o7m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Shewanella
loihica) 		PF03480
(DctP) 		5 PHE A  72
ASP A  80
GLY A  79
PHE A  78
ASN A  82
 None
LMR  A 401 ( 4.1A)
None
None
None
 1.39A 4eb4C-4o7mA:
undetectable		 4eb4C-4o7mA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.47A 4eb4C-4ohqA:
undetectable		 4eb4C-4ohqA:
22.03
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)
 0.63A 4eb4C-4xscA:
40.6		 4eb4C-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.
4z2e DNA GYRASE SUBUNIT A

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV) 		5 PHE A 476
ARG A 134
ASP A 190
GLY A 186
ASN A 184
 None
 1.42A 4eb4C-4z2eA:
undetectable		 4eb4C-4z2eA:
21.58
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)
 0.75A 4eb4C-5by6A:
42.4		 4eb4C-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)
 0.36A 4eb4C-5by6A:
42.4		 4eb4C-5by6A:
63.06
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)
 0.22A 4eb4C-5h3aA:
43.2		 4eb4C-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
 1.11A 4eb4C-5hctA:
undetectable		 4eb4C-5hctA:
19.21
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
 0.89A 4eb4C-5j7wA:
33.7		 4eb4C-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) 		6 ILE A  80
ASP A 220
GLY A 224
PHE A 227
ASN A 228
TYR A 260
 None
 0.78A 4eb4C-5j7wA:
33.7		 4eb4C-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.
5l1t PENTALENOLACTONE
SYNTHASE

(Streptomyces
arenae) 		PF00067
(p450) 		5 PHE A 361
ILE A 272
ASP A 328
LEU A 329
ASN A 251
 None
 1.45A 4eb4C-5l1tA:
undetectable		 4eb4C-5l1tA:
23.41
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.
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 4eb4C-5m5xB:
undetectable		 4eb4C-5m5xB:
13.83
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.11A 4eb4C-5p60A:
undetectable		 4eb4C-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) 		8 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.47A 4eb4C-5t0lA:
41.5		 4eb4C-5t0lA:
35.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		6 ILE A  87
ASP A 177
GLY A 181
PHE A 184
ASN A 185
TYR A 217
 PGE  A 301 ( 4.2A)
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
PGE  A 301 ( 4.9A)
None
 0.51A 4eb4C-6aujA:
33.8		 4eb4C-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 7 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.50A 4eb4C-6cdzA:
36.3		 4eb4C-6cdzA:
39.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fc5 MICROTUBULE-ASSOCIAT
ED PROTEIN

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A  68
ASP A  39
LEU A  40
GLY A  65
ASN A  47
 None
 1.20A 4eb4C-6fc5A:
undetectable		 4eb4C-6fc5A:
16.67