SIMILAR PATTERNS OF AMINO ACIDS FOR 4FQS_A_LYAA302_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.
1b5d PROTEIN
(DEOXYCYTIDYLATE
HYDROXYMETHYLASE)

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 GLU A  60
TRP A  82
ASP A 171
GLY A 175
TYR A 218
 None
None
None
DCM  A 300 (-3.5A)
DCM  A 300 (-4.6A)
 0.86A 4fqsA-1b5dA:
18.9		 4fqsA-1b5dA:
24.73
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.
1c0n PROTEIN (CSDB
PROTEIN)

(Escherichia
coli) 		PF00266
(Aminotran_5) 		5 ILE A 235
LEU A 227
GLY A 224
VAL A 205
ALA A 204
 None
 1.23A 4fqsA-1c0nA:
0.0		 4fqsA-1c0nA:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		7 GLU A  65
ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.72A 4fqsA-1ci7A:
37.5		 4fqsA-1ci7A:
45.00
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) 		6 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 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)
CB3  A 768 ( 4.7A)
 0.87A 4fqsA-1ci7A:
37.5		 4fqsA-1ci7A:
45.00
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.
1f5v OXYGEN-INSENSITIVE
NADPH NITROREDUCTASE

(Escherichia
coli) 		PF00881
(Nitroreductase) 		5 HIS A  69
ILE A  14
LEU A 157
PHE A  17
ALA A 118
 None
 1.13A 4fqsA-1f5vA:
0.0		 4fqsA-1f5vA:
22.50
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 GLU A  87
ILE A 108
TRP A 109
ASP A 218
LEU A 221
GLY A 222
TYR A 258
ALA A 312
 D16  A 414 (-3.8A)
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)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.63A 4fqsA-1hvyA:
39.4		 4fqsA-1hvyA:
50.00
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 ILE A 108
TRP A 109
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
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 ( 4.4A)
D16  A 414 (-3.6A)
 0.88A 4fqsA-1hvyA:
39.4		 4fqsA-1hvyA:
50.00
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
PHE C 520
TYR C 553
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.42A 4fqsA-1j3jC:
35.6		 4fqsA-1j3jC:
38.79
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 GLU C 382
ILE C 403
ASP C 513
GLY C 517
TYR C 553
 None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.93A 4fqsA-1j3jC:
35.6		 4fqsA-1j3jC:
38.79
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.
1wr1 UBIQUITIN-LIKE
PROTEIN DSK2

(Saccharomyces
cerevisiae) 		PF00627
(UBA) 		5 HIS B 334
LEU B 354
GLY B 359
VAL B 351
ALA B 352
 None
 1.21A 4fqsA-1wr1B:
undetectable		 4fqsA-1wr1B:
13.31
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.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ILE A 142
GLY A 290
TYR A 293
VAL A 308
ALA A 307
 None
 1.12A 4fqsA-1wu7A:
0.0		 4fqsA-1wu7A:
21.63
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.
1xw8 UPF0271 PROTEIN YBGL

(Escherichia
coli) 		PF03746
(LamB_YcsF) 		5 ILE A 135
LEU A 153
GLY A 148
VAL A 127
ALA A 126
 None
 1.24A 4fqsA-1xw8A:
0.0		 4fqsA-1xw8A:
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		5 ILE A  61
GLY A  16
PHE A  62
VAL A  21
ALA A  22
 None
 1.13A 4fqsA-2a5vA:
0.0		 4fqsA-2a5vA:
24.64
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 GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.21A 4fqsA-2aazA:
undetectable		 4fqsA-2aazA:
41.32
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A 203
LEU A 234
GLY A 209
PHE A 207
VAL A 229
 None
 1.21A 4fqsA-2amxA:
undetectable		 4fqsA-2amxA:
20.57
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 GLU A 275
ILE A 272
LEU A 188
GLY A 187
VAL A 342
 None
 1.05A 4fqsA-2b24A:
undetectable		 4fqsA-2b24A:
18.74
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.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		5 HIS A 348
ILE A 362
LEU A 300
GLY A 244
ALA A 389
 None
 1.23A 4fqsA-2ek8A:
undetectable		 4fqsA-2ek8A:
19.42
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.
2gju 252AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		no annotation 5 ILE A 161
GLY A 147
TYR A 138
VAL A 173
ALA A 174
 None
 1.18A 4fqsA-2gjuA:
undetectable		 4fqsA-2gjuA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 295
ILE A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.72A 4fqsA-2h2qA:
34.5		 4fqsA-2h2qA:
27.59
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 316
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)
 0.92A 4fqsA-2h2qA:
34.5		 4fqsA-2h2qA:
27.59
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.
2hkv HYPOTHETICAL PROTEIN

(Exiguobacterium
sibiricum) 		PF05163
(DinB) 		5 HIS A  48
GLU A  54
ASP A  86
LEU A  85
VAL A  16
 NI  A 149 (-3.2A)
None
None
None
None
 1.07A 4fqsA-2hkvA:
undetectable		 4fqsA-2hkvA:
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.
2i7a CALPAIN 13

(Homo sapiens) 		no annotation 5 ILE A 516
LEU A 566
PHE A 563
VAL A 547
ALA A 548
 None
 1.25A 4fqsA-2i7aA:
undetectable		 4fqsA-2i7aA:
18.00
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.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		5 HIS A  86
ILE A  84
ASP A 126
LEU A 127
GLY A 125
 ZN  A 301 (-3.3A)
None
None
None
None
 1.19A 4fqsA-2nypA:
undetectable		 4fqsA-2nypA:
23.40
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
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 ( 4.0A)
 0.42A 4fqsA-2oipA:
39.2		 4fqsA-2oipA:
28.42
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.
2qik UPF0131 PROTEIN YKQA

(Bacillus
subtilis) 		PF06094
(GGACT)
PF13772
(AIG2_2) 		5 HIS A 226
LEU A 191
GLY A 157
TYR A 192
ALA A 133
 None
None
None
None
CIT  A 301 (-3.9A)
 1.06A 4fqsA-2qikA:
undetectable		 4fqsA-2qikA:
23.08
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 GLU A 293
ILE A 289
LEU A 336
GLY A 337
ALA A 321
 None
 1.19A 4fqsA-2qt3A:
undetectable		 4fqsA-2qt3A:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		6 GLU A  60
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 None
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)
 0.67A 4fqsA-2tddA:
35.7		 4fqsA-2tddA:
51.43
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) 		5 GLU A  60
ILE A  81
ASP A 221
GLY A 225
PHE A 228
 None
THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.84A 4fqsA-2tddA:
35.7		 4fqsA-2tddA:
51.43
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.
2vi7 ACETYLTRANSFERASE
PA1377

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		5 HIS A  50
LEU A  21
GLY A  20
VAL A  62
ALA A  63
 None
 1.22A 4fqsA-2vi7A:
undetectable		 4fqsA-2vi7A:
22.34
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.
3a0h PHOTOSYSTEM II D2
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00124
(Photo_RC) 		5 TRP D 191
LEU D 279
GLY D 278
VAL D 152
ALA D 151
 CLA  D1004 (-4.8A)
PHO  D1039 ( 4.0A)
PQ9  D1042 ( 4.9A)
CLA  D1004 (-3.9A)
None
 1.05A 4fqsA-3a0hD:
undetectable		 4fqsA-3a0hD:
20.92
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.
3d31 SULFATE/MOLYBDATE
ABC TRANSPORTER,
PERMEASE PROTEIN

(Methanosarcina
acetivorans) 		PF00528
(BPD_transp_1) 		5 ILE C  41
GLY C  47
PHE C  45
VAL C 246
ALA C 245
 None
 1.14A 4fqsA-3d31C:
undetectable		 4fqsA-3d31C:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis) 		PF04493
(Endonuclease_5) 		5 HIS A 195
GLY A 171
TYR A 116
VAL A 141
ALA A 142
 None
 1.09A 4fqsA-3gocA:
undetectable		 4fqsA-3gocA:
22.78
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.
3ifw UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L1

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 GLU A 109
LEU A 106
GLY A 107
VAL A  99
ALA A 100
 None
 1.24A 4fqsA-3ifwA:
undetectable		 4fqsA-3ifwA:
20.65
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  65
LEU A  93
GLY A  94
VAL A   4
ALA A   3
 None
 1.19A 4fqsA-3ip1A:
undetectable		 4fqsA-3ip1A:
20.20
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) 		6 HIS A  51
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.80A 4fqsA-3ix6A:
35.4		 4fqsA-3ix6A:
46.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 GLU A  67
ASP A 197
LEU A 200
GLY A 201
TYR A 237
 None
 0.88A 4fqsA-3kgbA:
33.4		 4fqsA-3kgbA:
46.94
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 GLU A 285
ILE A 306
TRP A 307
ASP A 416
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.39A 4fqsA-3kjrA:
39.4		 4fqsA-3kjrA:
28.18
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.
3q6b OUTER MEMBRANE
PROTEIN ASSEMBLY
COMPLEX, YAET
PROTEIN

(Escherichia
coli) 		PF07244
(POTRA) 		5 HIS A 280
GLU A 285
ILE A 284
GLY A 275
VAL A 322
 None
 1.13A 4fqsA-3q6bA:
undetectable		 4fqsA-3q6bA:
25.00
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.
3qiu TCR 226 ALPHA CHAIN

(Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968) 		5 HIS C  72
LEU C  48
GLY C  51
VAL C  31
ALA C  30
 None
 1.21A 4fqsA-3qiuC:
undetectable		 4fqsA-3qiuC:
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.
3rft URONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 ILE A 106
LEU A   7
GLY A  67
VAL A  62
ALA A  63
 None
 1.24A 4fqsA-3rftA:
undetectable		 4fqsA-3rftA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 ILE A 258
LEU A 255
TYR A  14
VAL A 123
ALA A 124
 None
None
None
CA  A 353 (-4.8A)
None
 1.17A 4fqsA-3ti7A:
undetectable		 4fqsA-3ti7A:
22.75
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.
3tqr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Coxiella
burnetii) 		PF00551
(Formyl_trans_N) 		5 GLU A 177
ILE A 111
LEU A  89
GLY A  91
VAL A  88
 None
 1.06A 4fqsA-3tqrA:
undetectable		 4fqsA-3tqrA:
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.
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
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.42A 4fqsA-3um6A:
35.7		 4fqsA-3um6A:
22.30
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.69A 4fqsA-3um6A:
35.7		 4fqsA-3um6A:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.54A 4fqsA-3v8hA:
34.6		 4fqsA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 GLU A 228
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.02A 4fqsA-3v8hA:
34.6		 4fqsA-3v8hA:
36.53
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.
3v96 STROMELYSIN-2

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 HIS B 195
ILE B 160
LEU B 211
VAL B 129
ALA B 128
 ZN  B 302 (-3.2A)
None
None
None
None
 1.25A 4fqsA-3v96B:
undetectable		 4fqsA-3v96B:
19.76
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.
3wau 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Bacteroides
fragilis) 		PF04041
(Glyco_hydro_130) 		5 ILE A  77
LEU A  86
GLY A  75
VAL A 100
ALA A 101
 None
 1.22A 4fqsA-3wauA:
undetectable		 4fqsA-3wauA:
21.20
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.
3wpa TRIMERIC
AUTOTRANSPORTER
ADHESIN

(Acinetobacter
sp. Tol 5) 		PF05662
(YadA_stalk) 		5 LEU A3486
GLY A3487
TYR A3485
VAL A3482
ALA A3481
 None
 1.20A 4fqsA-3wpaA:
undetectable		 4fqsA-3wpaA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a25 FERRITIN DPS FAMILY
PROTEIN

(Kineococcus
radiotolerans) 		PF00210
(Ferritin) 		5 HIS A 132
ILE A 128
LEU A  30
VAL A  77
ALA A  78
 None
 1.11A 4fqsA-4a25A:
undetectable		 4fqsA-4a25A:
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.
4a25 FERRITIN DPS FAMILY
PROTEIN

(Kineococcus
radiotolerans) 		PF00210
(Ferritin) 		5 ILE A 128
LEU A  30
GLY A  29
VAL A  77
ALA A  78
 None
 1.09A 4fqsA-4a25A:
undetectable		 4fqsA-4a25A:
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.
4bvt CYANURIC ACID
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF09663
(Amido_AtzD_TrzD) 		5 HIS A 157
ILE A 150
GLY A 116
VAL A 141
ALA A 140
 None
 1.20A 4fqsA-4bvtA:
undetectable		 4fqsA-4bvtA:
21.59
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.
4cpd ALCOHOL
DEHYDROGENASE

(Thermus sp.
ATN1) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  37
LEU A  57
GLY A  58
VAL A   4
ALA A   3
 None
 1.02A 4fqsA-4cpdA:
undetectable		 4fqsA-4cpdA:
23.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 GLU A  63
ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.60A 4fqsA-4dq1A:
36.2		 4fqsA-4dq1A:
49.37
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) 		9 HIS A  51
GLU A  58
ILE A  79
TRP A  80
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.45A 4fqsA-4fogA:
43.4		 4fqsA-4fogA:
100.00
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) 		7 HIS A  54
ASP A 172
LEU A 175
GLY A 176
PHE A 179
TYR A 212
VAL A 264
 None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
None
 0.85A 4fqsA-4h0uA:
40.3		 4fqsA-4h0uA:
72.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		6 HIS A  54
GLU A  61
ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.64A 4fqsA-4h0uA:
40.3		 4fqsA-4h0uA:
72.56
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 HIS A  54
GLU A  61
ILE A  82
GLY A 176
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.89A 4fqsA-4h0uA:
40.3		 4fqsA-4h0uA:
72.56
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) 		5 GLU A  89
ILE A 110
LEU A 223
GLY A 224
TYR A 260
 None
D16  A 402 (-4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 0.82A 4fqsA-4iqqA:
35.9		 4fqsA-4iqqA:
43.17
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) 		5 ILE A 110
ASP A 220
LEU A 223
GLY A 224
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 ( 4.2A)
 0.85A 4fqsA-4iqqA:
35.9		 4fqsA-4iqqA:
43.17
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) 		5 ILE A 110
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 1.05A 4fqsA-4iqqA:
35.9		 4fqsA-4iqqA:
43.17
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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 5 TRP B 229
GLY B  98
PHE B  97
VAL B 104
ALA B 228
 None
 1.24A 4fqsA-4iu9B:
undetectable		 4fqsA-4iu9B:
18.97
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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 104
LEU A  38
GLY A  37
VAL A 316
ALA A 319
 None
 1.25A 4fqsA-4j3zA:
undetectable		 4fqsA-4j3zA:
19.72
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.
4jbh ALCOHOL
DEHYDROGENASE (ZINC)

(Pyrobaculum
aerophilum) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 244
GLY A 242
PHE A 241
VAL A 228
ALA A 168
 None
 1.23A 4fqsA-4jbhA:
undetectable		 4fqsA-4jbhA:
20.63
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.
4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLU A 424
ILE A 426
ASP A 759
GLY A 757
VAL A 730
 None
 1.25A 4fqsA-4l1mA:
undetectable		 4fqsA-4l1mA:
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.
4nq3 CYANURIC ACID
AMIDOHYDROLASE

(Azorhizobium
caulinodans) 		PF09663
(Amido_AtzD_TrzD) 		5 HIS A 151
ILE A 144
GLY A 110
VAL A 135
ALA A 134
 None
 1.23A 4fqsA-4nq3A:
undetectable		 4fqsA-4nq3A:
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A 315
LEU A 332
GLY A 333
VAL A 328
ALA A 327
 None
 1.20A 4fqsA-4nzsA:
undetectable		 4fqsA-4nzsA:
20.94
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		5 HIS A 117
GLY A 418
TYR A 377
VAL A  27
ALA A 379
 None
 1.22A 4fqsA-4r27A:
undetectable		 4fqsA-4r27A:
23.22
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 GLU A 783
LEU A 452
GLY A 451
TYR A 445
ALA A 454
 None
 1.21A 4fqsA-4txgA:
undetectable		 4fqsA-4txgA:
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ILE A 433
GLY A 405
PHE A 404
VAL A  23
ALA A  22
 None
 1.23A 4fqsA-4um8A:
undetectable		 4fqsA-4um8A:
17.08
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.
4x9t UNCHARACTERIZED
PROTEIN UPF0065

(Polaromonas sp.
JS666) 		PF03401
(TctC) 		5 GLU A 259
ILE A 260
GLY A 255
VAL A 252
ALA A 251
 None
 1.18A 4fqsA-4x9tA:
undetectable		 4fqsA-4x9tA:
24.10
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.
4xga OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF07244
(POTRA) 		5 HIS B 280
GLU B 285
ILE B 284
GLY B 275
VAL B 322
 None
 1.24A 4fqsA-4xgaB:
undetectable		 4fqsA-4xgaB:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		6 GLU A  75
ILE A  96
ASP A 206
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.68A 4fqsA-4xscA:
36.3		 4fqsA-4xscA:
41.90
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 GLU A  75
ILE A  96
TRP A  97
LEU A 209
GLY A 210
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
None
BVP  A1001 (-3.4A)
 0.71A 4fqsA-4xscA:
36.3		 4fqsA-4xscA:
41.90
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.
4z5y COENZYME PQQ
SYNTHESIS PROTEIN B

(Pseudomonas
putida) 		PF12706
(Lactamase_B_2) 		5 GLU A 228
LEU A 267
GLY A 221
VAL A 294
ALA A 295
 None
 1.06A 4fqsA-4z5yA:
undetectable		 4fqsA-4z5yA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ILE A  84
LEU A  76
GLY A  78
TYR A  59
VAL A  75
 None
 1.22A 4fqsA-5b18A:
undetectable		 4fqsA-5b18A:
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri) 		PF00115
(COX1)
PF02433
(FixO) 		5 HIS A  60
GLU A 125
TRP A 203
GLY B  67
TYR A 338
 HEM  A 502 (-3.1A)
None
HEM  A 501 (-4.7A)
None
None
 1.06A 4fqsA-5djqA:
undetectable		 4fqsA-5djqA:
18.58
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ILE A  70
LEU A 333
GLY A 331
VAL A 336
ALA A 337
 None
 1.23A 4fqsA-5dmyA:
undetectable		 4fqsA-5dmyA:
14.58
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.
5hxz BARBITURASE

(Rhodococcus
erythropolis) 		PF09663
(Amido_AtzD_TrzD) 		5 HIS A 157
ILE A 150
GLY A 116
VAL A 141
ALA A 140
 None
 1.21A 4fqsA-5hxzA:
undetectable		 4fqsA-5hxzA:
20.60
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.
5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		5 GLU A 162
LEU A 198
GLY A  88
VAL A 190
ALA A 187
 None
EDO  A 302 (-4.6A)
THM  A 301 (-3.5A)
None
None
 1.06A 4fqsA-5idtA:
undetectable		 4fqsA-5idtA:
22.36
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.
5ir2 CELLULASE

(Parabacteroides
johnsonii) 		PF03737
(RraA-like) 		5 ILE A 194
LEU A 203
GLY A 197
VAL A  49
ALA A  48
 None
 1.18A 4fqsA-5ir2A:
undetectable		 4fqsA-5ir2A:
23.02
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 GLU A  59
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 None
 0.53A 4fqsA-5j7wA:
36.0		 4fqsA-5j7wA:
52.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lst ATP-DEPENDENT DNA
HELICASE Q4

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 HIS A 930
ILE A1051
LEU A 923
VAL A 842
ALA A 841
 None
 1.02A 4fqsA-5lstA:
undetectable		 4fqsA-5lstA:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nij VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME

(Arabidopsis
thaliana) 		no annotation 5 HIS A 121
ILE A 117
ASP A  78
GLY A 268
ALA A  82
 None
 1.25A 4fqsA-5nijA:
undetectable		 4fqsA-5nijA:
12.98
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.
5njj PROTEIN NUMB HOMOLOG

(Homo sapiens) 		no annotation 5 GLU A 112
LEU A  95
GLY A  94
VAL A 158
ALA A 157
 None
 1.23A 4fqsA-5njjA:
undetectable		 4fqsA-5njjA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 ASP A  96
LEU A  97
GLY A  95
VAL A  66
ALA A  65
 None
 1.21A 4fqsA-5o1mA:
undetectable		 4fqsA-5o1mA:
21.60
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
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)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.54A 4fqsA-5t0lA:
38.7		 4fqsA-5t0lA:
25.44
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.82A 4fqsA-5t0lA:
38.7		 4fqsA-5t0lA:
25.44
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.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 ILE A 254
GLY A 251
PHE A 252
VAL A 136
ALA A 137
 None
 1.14A 4fqsA-5vf3A:
undetectable		 4fqsA-5vf3A:
19.60
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 475
PHE A 296
TYR A 492
VAL A 356
ALA A 318
 None
None
UDP  A 801 (-3.2A)
None
UDP  A 801 ( 4.3A)
 1.14A 4fqsA-5vncA:
undetectable		 4fqsA-5vncA:
15.85
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.
5wk1 MAJOR CAPSID PROTEIN

(Pseudoalteromonas
phage TW1) 		no annotation 5 GLU A 279
ILE A 277
LEU A 226
VAL A 223
ALA A 224
 None
 1.24A 4fqsA-5wk1A:
undetectable		 4fqsA-5wk1A:
15.81
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.
5wl7 ENGINEERED CHALCONE
ISOMERASE ANCCHI*

(unidentified) 		no annotation 5 ILE A  48
LEU A 190
GLY A 191
VAL A 203
ALA A 204
 None
 1.18A 4fqsA-5wl7A:
undetectable		 4fqsA-5wl7A:
15.89
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 HIS A  59
ASP A 177
LEU A 180
GLY A 181
TYR A 217
 None
None
None
PGE  A 301 ( 4.0A)
None
 0.80A 4fqsA-6aujA:
35.2		 4fqsA-6aujA:
61.40
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 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.82A 4fqsA-6cdzA:
40.3		 4fqsA-6cdzA:
60.00
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 6 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
VAL A 262
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
None
 1.32A 4fqsA-6cdzA:
40.3		 4fqsA-6cdzA:
60.00
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 5 GLU A  58
ILE A  79
TRP A  80
LEU A 172
GLY A 173
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
 0.91A 4fqsA-6cdzA:
40.3		 4fqsA-6cdzA:
60.00
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 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)
 1.00A 4fqsA-6cdzA:
40.3		 4fqsA-6cdzA:
60.00
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 6 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 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)
None
 1.34A 4fqsA-6cdzA:
40.3		 4fqsA-6cdzA:
60.00
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 5 ILE A 239
ASP A 254
LEU A  75
GLY A  74
ALA A 270
 None
 1.23A 4fqsA-6etiA:
undetectable		 4fqsA-6etiA:
13.90
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 HIS A2355
ILE A2366
GLY A2369
PHE A2368
TYR A2266
 None
 1.17A 4fqsA-6fayA:
undetectable		 4fqsA-6fayA:
18.72