SIMILAR PATTERNS OF AMINO ACIDS FOR 5X5Q_F_D16F402_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
 1.21A 5x5qF-1am5A:
0.0		 5x5qF-1am5A:
20.86
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) 		4 ASP A 184
GLY A 188
PHE A 191
TYR A 224
 None
 0.39A 5x5qF-1bsfA:
31.0		 5x5qF-1bsfA:
37.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		7 PHE A  58
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 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.61A 5x5qF-1ci7A:
41.1		 5x5qF-1ci7A:
61.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gxl CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF06470
(SMC_hinge) 		4 ILE A 524
LEU A 609
GLY A 610
PHE A 614
 None
 0.81A 5x5qF-1gxlA:
0.0		 5x5qF-1gxlA:
23.15
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) 		7 PHE A  80
ILE A 108
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 0.49A 5x5qF-1hvyA:
44.6		 5x5qF-1hvyA:
100.00
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.
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 5x5qF-1izeA:
0.0		 5x5qF-1izeA:
20.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		4 ASP C 513
LEU C 516
GLY C 517
TYR C 553
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.60A 5x5qF-1j3jC:
40.2		 5x5qF-1j3jC:
53.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		4 ILE C 403
ASP C 513
GLY C 517
TYR C 553
 None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.52A 5x5qF-1j3jC:
40.2		 5x5qF-1j3jC:
53.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mqs SLY1 PROTEIN

(Saccharomyces
cerevisiae) 		PF00995
(Sec1) 		4 PHE A 238
ILE A 213
LEU A 231
GLY A 232
 None
 0.59A 5x5qF-1mqsA:
0.0		 5x5qF-1mqsA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qdn PROTEIN
(N-ETHYLMALEIMIDE
SENSITIVE FUSION
PROTEIN (NSF))

(Cricetulus
griseus) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 PHE A 140
LEU A 147
GLY A 146
PHE A 145
 None
 0.68A 5x5qF-1qdnA:
undetectable		 5x5qF-1qdnA:
20.68
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.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		4 ILE A  45
LEU A 210
GLY A 211
PHE A 214
 None
 0.57A 5x5qF-1rtrA:
undetectable		 5x5qF-1rtrA:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		4 ASP A 179
GLY A 183
PHE A 186
TYR A 219
 None
 0.53A 5x5qF-1tisA:
30.6		 5x5qF-1tisA:
43.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		4 ASP A 179
LEU A 182
GLY A 183
TYR A 219
 None
 0.53A 5x5qF-1tisA:
30.6		 5x5qF-1tisA:
43.41
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		4 ILE A 129
GLY A 288
PHE A 307
TYR A 268
 None
 0.81A 5x5qF-1z7mA:
undetectable		 5x5qF-1z7mA:
21.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		5 ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.65A 5x5qF-2aazA:
undetectable		 5x5qF-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		5 ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.02A 5x5qF-2aazA:
undetectable		 5x5qF-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		4 PHE A  72
ILE A 100
ASP A 219
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 4.3A)
 0.61A 5x5qF-2aazA:
undetectable		 5x5qF-2aazA:
61.84
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)
 0.72A 5x5qF-2h2qA:
40.2		 5x5qF-2h2qA:
42.37
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
ILE A 316
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.47A 5x5qF-2h2qA:
40.2		 5x5qF-2h2qA:
42.37
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)
 0.64A 5x5qF-2oipA:
41.4		 5x5qF-2oipA:
38.51
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.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		4 PHE A 195
ILE A 265
LEU A 237
GLY A 234
 None
 0.54A 5x5qF-2qtyA:
undetectable		 5x5qF-2qtyA:
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.
2ra8 UNCHARACTERIZED
PROTEIN Q64V53_BACFR

(Bacteroides
fragilis) 		PF05406
(WGR) 		4 PHE A 138
LEU A 144
GLY A 143
PHE A 141
 None
 0.79A 5x5qF-2ra8A:
undetectable		 5x5qF-2ra8A:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		4 ASP A 221
LEU A 224
GLY A 225
TYR A 261
 UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.84A 5x5qF-2tddA:
33.3		 5x5qF-2tddA:
45.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		4 ILE A  81
ASP A 221
GLY A 225
TYR A 261
 THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.67A 5x5qF-2tddA:
33.3		 5x5qF-2tddA:
45.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		4 LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.83A 5x5qF-2tddA:
33.3		 5x5qF-2tddA:
45.09
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.22A 5x5qF-2wedA:
undetectable		 5x5qF-2wedA:
20.00
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.
2wf7 BETA-PHOSPHOGLUCOMUT
ASE

(Lactococcus
lactis) 		PF13419
(HAD_2) 		4 PHE A   7
ILE A  96
GLY A  11
TYR A  19
 None
None
MG  A1220 ( 4.5A)
None
 0.83A 5x5qF-2wf7A:
undetectable		 5x5qF-2wf7A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wmc EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4E

(Pisum sativum) 		PF01652
(IF4E) 		4 ILE A 179
ASP A 161
GLY A 160
PHE A 157
 None
 0.76A 5x5qF-2wmcA:
undetectable		 5x5qF-2wmcA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 PHE A 320
LEU A 350
GLY A 351
PHE A 322
 None
 0.88A 5x5qF-2ya2A:
undetectable		 5x5qF-2ya2A:
17.97
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 ILE A  87
ASP B 313
GLY A 191
PHE A 193
 None
 0.87A 5x5qF-2z2mA:
undetectable		 5x5qF-2z2mA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bo7 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN-TYPE

(Toxoplasma
gondii) 		PF00160
(Pro_isomerase) 		4 ILE A 121
ASP A 144
LEU A 143
GLY A 142
 None
 0.75A 5x5qF-3bo7A:
undetectable		 5x5qF-3bo7A:
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.
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 5x5qF-3emyA:
undetectable		 5x5qF-3emyA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 ARG A 745
GLY A 657
PHE A 658
TYR A 800
 None
ACT  A1800 ( 4.5A)
None
None
 0.78A 5x5qF-3h09A:
undetectable		 5x5qF-3h09A:
13.65
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.
3h1v GLUCOKINASE

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 ARG X 377
ASP X 262
LEU X 288
GLY X 261
 None
 0.83A 5x5qF-3h1vX:
undetectable		 5x5qF-3h1vX:
22.17
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.
3h9p PUTATIVE
TRIPHOSPHORIBOSYL-DE
PHOSPHO-COA SYNTHASE

(Archaeoglobus
fulgidus) 		PF01874
(CitG) 		4 PHE A  85
ILE A 173
LEU A 216
GLY A 257
 None
 0.81A 5x5qF-3h9pA:
undetectable		 5x5qF-3h9pA:
21.25
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.
3heb RESPONSE REGULATOR
RECEIVER DOMAIN
PROTEIN (CHEY)

(Rhodospirillum
rubrum) 		PF00072
(Response_reg) 		4 ILE A  10
LEU A 135
GLY A 136
PHE A 139
 None
 0.66A 5x5qF-3hebA:
undetectable		 5x5qF-3hebA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htz ALANYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF01411
(tRNA-synt_2c) 		4 ARG A 267
LEU A 309
GLY A 306
PHE A 305
 None
 0.89A 5x5qF-3htzA:
undetectable		 5x5qF-3htzA:
19.78
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		4 PHE A 424
ILE A 331
GLY A 225
PHE A 333
 None
 0.78A 5x5qF-3ij3A:
undetectable		 5x5qF-3ij3A:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		4 ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
 0.74A 5x5qF-3ix6A:
33.7		 5x5qF-3ix6A:
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.
3j97 VESICLE-FUSING
ATPASE

(Cricetulus
griseus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 PHE A 140
LEU A 147
GLY A 146
PHE A 145
 None
 0.63A 5x5qF-3j97A:
undetectable		 5x5qF-3j97A:
17.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 PHE A  60
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 0.72A 5x5qF-3kgbA:
36.8		 5x5qF-3kgbA:
58.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ASP A 416
LEU A 419
GLY A 420
TYR A 456
 None
 0.61A 5x5qF-3kjrA:
40.9		 5x5qF-3kjrA:
37.27
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.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Escherichia
coli) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		4 ILE A 510
ASP A 541
GLY A 516
PHE A 512
 None
 0.89A 5x5qF-3osrA:
undetectable		 5x5qF-3osrA:
19.27
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.
3psh PROTEIN HI_1472

(Haemophilus
influenzae) 		PF01497
(Peripla_BP_2) 		4 PHE A 172
ILE A 168
ASP A 179
GLY A 178
 None
 0.79A 5x5qF-3pshA:
undetectable		 5x5qF-3pshA:
20.35
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.
3r0v ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Sphaerobacter
thermophilus) 		PF12697
(Abhydrolase_6) 		4 PHE A 114
ILE A 249
LEU A 207
PHE A  89
 None
 0.82A 5x5qF-3r0vA:
undetectable		 5x5qF-3r0vA:
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.
3thn EXONUCLEASE,
PUTATIVE

(Thermotoga
maritima) 		PF00149
(Metallophos) 		4 ILE A 230
ASP A  14
GLY A 233
PHE A 220
 None
MN  A 360 (-3.4A)
None
None
 0.71A 5x5qF-3thnA:
undetectable		 5x5qF-3thnA:
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.
3tho EXONUCLEASE,
PUTATIVE

(Thermotoga
maritima) 		PF00149
(Metallophos) 		4 ILE B 230
ASP B  14
GLY B 233
PHE B 220
 None
MN  B   1 (-3.7A)
None
None
 0.69A 5x5qF-3thoB:
undetectable		 5x5qF-3thoB:
20.98
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.63A 5x5qF-3um6A:
40.4		 5x5qF-3um6A:
27.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.53A 5x5qF-3um6A:
40.4		 5x5qF-3um6A:
27.77
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)
 0.75A 5x5qF-3v8hA:
34.9		 5x5qF-3v8hA:
35.87
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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ILE A 344
ASP A 644
GLY A 645
PHE A 646
 None
 0.74A 5x5qF-3va6A:
undetectable		 5x5qF-3va6A:
16.73
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.
3w0l GLUCOKINASE

(Xenopus laevis) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 ARG A 370
ASP A 255
LEU A 281
GLY A 254
 None
 0.83A 5x5qF-3w0lA:
undetectable		 5x5qF-3w0lA:
22.59
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		4 ILE A 447
LEU A 472
GLY A 470
TYR A 489
 None
 0.80A 5x5qF-4aeeA:
undetectable		 5x5qF-4aeeA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4csb VIRULENCE ASSOCIATED
PROTEIN VAPD

(Rhodococcus
hoagii) 		PF05526
(R_equi_Vir) 		4 PHE A  91
ILE A 102
GLY A 113
PHE A 104
 None
 0.87A 5x5qF-4csbA:
undetectable		 5x5qF-4csbA:
16.31
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.
4cv7 VIRULENCE ASSOCIATED
PROTEIN VAPB

(Rhodococcus
hoagii) 		PF05526
(R_equi_Vir) 		4 PHE A 149
ILE A 160
GLY A 171
PHE A 162
 None
 0.86A 5x5qF-4cv7A:
undetectable		 5x5qF-4cv7A:
16.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		4 ASP A 224
GLY A 228
PHE A 231
TYR A 264
 None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 0.37A 5x5qF-4dq1A:
33.8		 5x5qF-4dq1A:
45.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		4 ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.73A 5x5qF-4dq1A:
33.8		 5x5qF-4dq1A:
45.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		4 ILE A  84
ASP A 224
PHE A 231
TYR A 264
 None
None
None
UMP  A 501 (-4.2A)
 0.64A 5x5qF-4dq1A:
33.8		 5x5qF-4dq1A:
45.76
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.
4fn5 ELONGATION FACTOR G
1

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 PHE A 522
ILE A 560
LEU A 574
GLY A 576
 None
 0.81A 5x5qF-4fn5A:
undetectable		 5x5qF-4fn5A:
18.36
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) 		4 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.51A 5x5qF-4fogA:
36.6		 5x5qF-4fogA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		4 ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.69A 5x5qF-4h0uA:
35.0		 5x5qF-4h0uA:
47.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		4 ILE A  82
ASP A 172
GLY A 176
TYR A 212
 None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.57A 5x5qF-4h0uA:
35.0		 5x5qF-4h0uA:
47.59
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.
4h1x PHOSPHATE-BINDING
PROTEIN PSTS 2

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		4 ILE A 212
LEU A 143
GLY A 144
PHE A 147
 None
 0.36A 5x5qF-4h1xA:
undetectable		 5x5qF-4h1xA:
20.46
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) 		6 ILE A 110
ASP A 220
LEU A 223
GLY A 224
PHE A 227
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)
D16  A 402 ( 4.2A)
 0.24A 5x5qF-4iqqA:
42.6		 5x5qF-4iqqA:
62.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5q O-ACETYL-ADP-RIBOSE
DEACETYLASE 1

(Homo sapiens) 		PF01661
(Macro) 		4 PHE A  48
ILE A  78
LEU A  58
GLY A  54
 None
 0.61A 5x5qF-4j5qA:
undetectable		 5x5qF-4j5qA:
17.83
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.
4k46 ADENYLATE KINASE

(Photobacterium
profundum) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 PHE A 196
ILE A 107
GLY A   7
PHE A 109
 None
 0.69A 5x5qF-4k46A:
undetectable		 5x5qF-4k46A:
21.55
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.
4k6l CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B HOMOLOG

(Salmonella
enterica) 		PF03372
(Exo_endo_phos) 		4 ILE F 124
ASP F 131
LEU F 151
GLY F 150
 None
 0.81A 5x5qF-4k6lF:
undetectable		 5x5qF-4k6lF:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgc BILE ACID-COENZYME A
LIGASE

([Clostridium]
scindens) 		PF00501
(AMP-binding) 		4 PHE A 237
ILE A 202
GLY A 212
TYR A 317
 None
 0.76A 5x5qF-4lgcA:
undetectable		 5x5qF-4lgcA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		4 PHE A 213
LEU A 482
GLY A 481
PHE A 215
 2QH  A 602 (-4.2A)
None
None
2QH  A 602 (-3.9A)
 0.87A 5x5qF-4ny4A:
undetectable		 5x5qF-4ny4A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		4 ILE A 254
LEU A 269
GLY A 246
TYR A 430
 None
None
NAD  A 601 (-3.0A)
None
 0.88A 5x5qF-4ou2A:
undetectable		 5x5qF-4ou2A:
20.08
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.
4rjz ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (SUGAR)

(Agrobacterium
fabrum) 		PF01547
(SBP_bac_1) 		4 ILE A  88
GLY A 136
PHE A 102
TYR A 120
 None
 0.75A 5x5qF-4rjzA:
undetectable		 5x5qF-4rjzA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rs1 GRANULOCYTE-MACROPHA
GE
COLONY-STIMULATING
FACTOR RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF09240
(IL6Ra-bind) 		4 ARG B 283
ASP B 257
GLY B 256
PHE B 232
 None
GOL  B 303 (-4.0A)
None
None
 0.74A 5x5qF-4rs1B:
undetectable		 5x5qF-4rs1B:
22.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		6 PHE A  68
ILE A  96
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 None
1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.49A 5x5qF-4xscA:
41.5		 5x5qF-4xscA:
69.66
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.
4y2w ALANINE RACEMASE 1

(Caldanaerobacter
subterraneus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 PHE A 363
ILE A 338
ASP A 289
GLY A 290
 None
 0.84A 5x5qF-4y2wA:
undetectable		 5x5qF-4y2wA:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		4 ASP A 212
LEU A 215
GLY A 216
TYR A 252
 None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 0.68A 5x5qF-5by6A:
42.9		 5x5qF-5by6A:
64.17
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) 		6 PHE A  74
ILE A 102
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 None
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.48A 5x5qF-5by6A:
42.9		 5x5qF-5by6A:
64.17
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.
5e3q 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Corynebacterium
glutamicum) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M) 		4 ILE A  89
LEU A  74
GLY A 153
PHE A 170
 None
 0.84A 5x5qF-5e3qA:
undetectable		 5x5qF-5e3qA:
21.45
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.
5eip YTH
DOMAIN-CONTAINING
PROTEIN MMI1

(Schizosaccharomyces
pombe) 		PF04146
(YTH) 		4 PHE A 393
ILE A 432
GLY A 405
PHE A 395
 None
 0.82A 5x5qF-5eipA:
undetectable		 5x5qF-5eipA:
18.88
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.
5f6j ENVELOPE
GLYCOPROTEIN GP120
OF HIV-1 CLADE C

(Human
immunodeficiency
virus 1) 		no annotation 4 PHE G 468
ILE G 359
GLY G 393
PHE G 361
 None
 0.70A 5x5qF-5f6jG:
undetectable		 5x5qF-5f6jG:
17.22
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		4 ILE A 310
ASP A 303
GLY A 302
TYR A 351
 None
CA  A 703 (-3.4A)
None
None
 0.82A 5x5qF-5h05A:
undetectable		 5x5qF-5h05A:
18.99
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) 		6 PHE A 104
ILE A 132
ASP A 242
GLY A 246
PHE A 249
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 (-4.5A)
 0.30A 5x5qF-5h3aA:
43.5		 5x5qF-5h3aA:
71.73
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.
5h8a YTH
DOMAIN-CONTAINING
PROTEIN MMI1

(Schizosaccharomyces
pombe) 		PF04146
(YTH) 		4 PHE A 393
ILE A 432
GLY A 405
PHE A 395
 None
 0.81A 5x5qF-5h8aA:
undetectable		 5x5qF-5h8aA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.15A 5x5qF-5hctA:
undetectable		 5x5qF-5hctA:
20.05
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
 0.78A 5x5qF-5j7wA:
33.6		 5x5qF-5j7wA:
48.93
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) 		4 ILE A  80
ASP A 220
PHE A 227
TYR A 260
 None
 0.77A 5x5qF-5j7wA:
33.6		 5x5qF-5j7wA:
48.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B

(Acinetobacter
calcoaceticus) 		no annotation 4 ILE A  94
LEU A 149
GLY A  81
PHE A  82
 None
 0.73A 5x5qF-5minA:
undetectable		 5x5qF-5minA:
12.41
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.
5mln ALCOHOL
DEHYDROGENASE 3

([Candida]
magnoliae) 		no annotation 4 ILE A 118
ASP A 165
LEU A 164
GLY A 163
 None
 0.76A 5x5qF-5mlnA:
undetectable		 5x5qF-5mlnA:
14.19
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.
5o8m YTH
DOMAIN-CONTAINING
PROTEIN MMI1

(Schizosaccharomyces
pombe) 		no annotation 4 PHE A 393
ILE A 432
GLY A 405
PHE A 395
 None
 0.86A 5x5qF-5o8mA:
undetectable		 5x5qF-5o8mA:
15.08
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.14A 5x5qF-5p60A:
undetectable		 5x5qF-5p60A:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sy5 NEURONAL PAS
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF08447
(PAS_3) 		4 ILE B 271
ASP B 147
GLY B 148
PHE B 149
 None
 0.81A 5x5qF-5sy5B:
undetectable		 5x5qF-5sy5B:
20.32
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.
5sy7 NEURONAL PAS
DOMAIN-CONTAINING
PROTEIN 3

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF08447
(PAS_3) 		4 ILE B 291
ASP B 164
GLY B 165
PHE B 166
 None
 0.70A 5x5qF-5sy7B:
undetectable		 5x5qF-5sy7B:
20.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ARG A 603
PHE A 374
ASP A 513
LEU A 516
GLY A 517
 CB3  A 703 (-3.2A)
None
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
 1.06A 5x5qF-5t0lA:
42.4		 5x5qF-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
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)
UMP  A 701 (-4.4A)
 0.39A 5x5qF-5t0lA:
42.4		 5x5qF-5t0lA:
38.34
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.
5vt9 MYOSIN LIGHT CHAIN
TGMLC1

(Toxoplasma
gondii) 		no annotation 4 ILE A 199
LEU A 174
GLY A 171
TYR A 177
 None
 0.87A 5x5qF-5vt9A:
undetectable		 5x5qF-5vt9A:
21.02
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.
5wx3 ALKYLDIKETIDE-COA
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 ARG A  87
PHE A 192
ASP A 201
LEU A 202
 None
 0.82A 5x5qF-5wx3A:
undetectable		 5x5qF-5wx3A:
21.59
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) 		4 ASP A 177
GLY A 181
PHE A 184
TYR A 217
 None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 0.38A 5x5qF-6aujA:
34.3		 5x5qF-6aujA:
51.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.42A 5x5qF-6cdzA:
36.6		 5x5qF-6cdzA:
49.41
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.
6ekt P-47 PROTEIN

(Clostridium
botulinum) 		no annotation 4 PHE A 166
ILE A 111
GLY A 132
PHE A 131
 None
 0.71A 5x5qF-6ektA:
undetectable		 5x5qF-6ektA:
19.55
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 4 ARG I  17
ILE I  55
LEU I 278
GLY I 274
 None
 0.85A 5x5qF-6esqI:
undetectable		 5x5qF-6esqI:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 ILE A  21
LEU A 540
GLY A 538
PHE A 559
 None
 0.84A 5x5qF-6fwfA:
undetectable		 5x5qF-6fwfA:
17.31