SIMILAR PATTERNS OF AMINO ACIDS FOR 6R2E_H_FFOH403_0

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
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) 		11 PHE A  58
ILE A  86
TRP A  87
ASN A  90
TYR A 113
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.88A 6r2eH-1ci7A:
43.6		 6r2eH-1ci7A:
55.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		5 PHE A 232
TRP A 246
ASN A 183
TYR A 196
GLY A 250
 None
 1.24A 6r2eH-1ekjA:
0.0		 6r2eH-1ekjA:
18.93
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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		5 PHE A 119
TYR A 226
ASP A 108
LEU A 111
GLY A 109
 None
 1.28A 6r2eH-1fokA:
0.8		 6r2eH-1fokA:
19.58
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.
1h54 MALTOSE
PHOSPHORYLASE

(Lactobacillus
brevis) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ILE A 426
ASN A 495
ASP A 431
GLY A 430
ALA A 485
 None
 1.21A 6r2eH-1h54A:
0.0		 6r2eH-1h54A:
17.95
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) 		10 PHE A  80
ILE A 108
TRP A 109
ASN A 112
TYR A 135
LEU A 192
ASP A 218
LEU A 221
GLY A 222
ASN A 226
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
 0.76A 6r2eH-1hvyA:
46.8		 6r2eH-1hvyA:
99.65
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) 		10 PHE A  80
ILE A 108
TRP A 109
LEU A 192
ASP A 218
LEU A 221
GLY A 222
ASN A 226
MET A 311
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.87A 6r2eH-1hvyA:
46.8		 6r2eH-1hvyA:
99.65
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) 		10 PHE A  80
ILE A 108
TRP A 109
TYR A 135
LEU A 192
ASP A 218
LEU A 221
GLY A 222
ASN A 226
MET A 311
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
 0.89A 6r2eH-1hvyA:
46.8		 6r2eH-1hvyA:
99.65
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
ASN C 407
LEU C 487
GLY C 517
ASN C 521
 None
None
None
UMP  C 611 (-3.5A)
UMP  C 611 (-2.8A)
 0.99A 6r2eH-1j3jC:
40.4		 6r2eH-1j3jC:
49.39
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) 		6 ILE C 403
TRP C 404
ASN C 407
TYR C 430
LEU C 487
ASN C 521
 None
None
None
None
None
UMP  C 611 (-2.8A)
 0.87A 6r2eH-1j3jC:
40.4		 6r2eH-1j3jC:
49.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		5 TYR D 281
LEU D 346
LEU D 356
GLY D 178
MET D 353
 None
 1.28A 6r2eH-1mhzD:
0.0		 6r2eH-1mhzD:
20.54
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 ASN A  90
TYR A 109
LEU A 153
ASN A 187
ALA A 285
 None
 1.26A 6r2eH-1tisA:
30.5		 6r2eH-1tisA:
38.90
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		5 PHE A  27
ILE A 140
ASP A  44
LEU A  52
ALA A  46
 None
 1.29A 6r2eH-1y8cA:
0.0		 6r2eH-1y8cA:
18.95
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) 		11 PHE A  72
ILE A 100
TRP A 101
ASN A 104
TYR A 127
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.64A 6r2eH-2aazA:
undetectable		 6r2eH-2aazA:
56.34
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.
2ak3 ADENYLATE KINASE
ISOENZYME-3

(Bos taurus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ILE A  10
ASN A 111
LEU A 182
GLY A  89
ALA A  13
 None
None
None
AMP  A 226 (-4.7A)
None
 1.07A 6r2eH-2ak3A:
undetectable		 6r2eH-2ak3A:
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.
2bgh VINORINE SYNTHASE

(Rauvolfia
serpentina) 		PF02458
(Transferase) 		5 ILE A  81
ASN A 135
GLY A  79
ASN A  90
ALA A 141
 None
 1.30A 6r2eH-2bghA:
undetectable		 6r2eH-2bghA:
19.19
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 ILE A 559
LEU A 512
LEU A 425
GLY A 424
ALA A 493
 None
 1.24A 6r2eH-2c3oA:
undetectable		 6r2eH-2c3oA:
13.74
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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 PHE A 284
ILE A 237
ASN A 240
LEU A 234
GLY A 231
 None
 1.18A 6r2eH-2dpgA:
undetectable		 6r2eH-2dpgA:
19.84
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
ILE A 316
ASN A 320
TYR A 343
GLY A 430
ASN A 434
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.88A 6r2eH-2h2qA:
39.7		 6r2eH-2h2qA:
39.35
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
TRP A 317
ASN A 320
TYR A 343
LEU A 400
ASN A 434
 None
None
None
None
None
None
DU  A 611 (-3.0A)
 0.86A 6r2eH-2h2qA:
39.7		 6r2eH-2h2qA:
39.35
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
TYR A 343
ASP A 426
LEU A 429
GLY A 430
ASN A 434
 None
None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.98A 6r2eH-2h2qA:
39.7		 6r2eH-2h2qA:
39.35
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.
2hf8 PROBABLE HYDROGENASE
NICKEL INCORPORATION
PROTEIN HYPB

(Methanocaldococcus
jannaschii) 		PF02492
(cobW) 		5 ILE A  66
ASN A 121
ASP A  98
LEU A 101
ASN A  24
 None
 1.20A 6r2eH-2hf8A:
undetectable		 6r2eH-2hf8A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 ILE A 230
LEU A  13
ASP A 411
LEU A 328
GLY A 408
 None
 1.23A 6r2eH-2ijzA:
undetectable		 6r2eH-2ijzA:
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.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		5 ASN G 513
TYR G 553
ASP G 490
LEU G 491
ASN G 522
 None
 1.02A 6r2eH-2iouG:
undetectable		 6r2eH-2iouG:
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.
2irm MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7
INTERACTING PROTEIN
1

(Anopheles
gambiae) 		PF00481
(PP2C) 		5 LEU A 170
LEU A  87
GLY A  88
ASN A  91
ALA A  82
 None
 1.27A 6r2eH-2irmA:
undetectable		 6r2eH-2irmA:
18.55
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.
2ivp O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Pyrococcus
abyssi) 		PF00814
(Peptidase_M22) 		5 PHE A  74
ILE A 290
LEU A 282
GLY A  14
ALA A  25
 None
 1.20A 6r2eH-2ivpA:
undetectable		 6r2eH-2ivpA:
22.81
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) 		11 ILE A 315
TRP A 316
ASN A 319
TYR A 342
LEU A 399
ASP A 426
LEU A 429
GLY A 430
ASN A 434
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.83A 6r2eH-2oipA:
44.4		 6r2eH-2oipA:
35.07
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
LEU A 195
ASP A 221
GLY A 225
ASN A 229
 THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-3.7A)
 0.97A 6r2eH-2tddA:
34.3		 6r2eH-2tddA:
40.61
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
TRP A  82
TYR A 146
LEU A 195
ASN A 229
 THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
None
THF  A 568 (-4.6A)
UFP  A 529 (-3.7A)
 0.79A 6r2eH-2tddA:
34.3		 6r2eH-2tddA:
40.61
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 LEU A 195
ASP A 221
LEU A 224
GLY A 225
ASN A 229
 THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-3.7A)
 0.76A 6r2eH-2tddA:
34.3		 6r2eH-2tddA:
40.61
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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		5 ILE A  95
LEU A  73
ASP A  99
GLY A  98
ALA A 117
 None
 1.26A 6r2eH-2zieA:
undetectable		 6r2eH-2zieA:
23.31
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.
3afo NADH KINASE POS5

(Saccharomyces
cerevisiae) 		PF01513
(NAD_kinase) 		5 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.23A 6r2eH-3afoA:
undetectable		 6r2eH-3afoA:
19.80
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.
3aje PUTATIVE
UNCHARACTERIZED
PROTEIN ST1526

(Sulfurisphaera
tokodaii) 		PF01300
(Sua5_yciO_yrdC)
PF03481
(SUA5) 		5 ILE A 170
LEU A 132
LEU A  40
GLY A  39
ALA A  42
 None
None
None
THR  A 353 (-3.3A)
None
 1.18A 6r2eH-3ajeA:
undetectable		 6r2eH-3ajeA:
21.12
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.
3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Cytophaga
hutchinsonii) 		PF03009
(GDPD) 		5 ILE A 136
TYR A  83
ASP A 155
ASN A 149
ALA A 159
 None
None
EDO  A 280 ( 4.3A)
None
EDO  A 281 (-3.9A)
 1.26A 6r2eH-3ch0A:
undetectable		 6r2eH-3ch0A:
20.48
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.
3cuq VACUOLAR-SORTING
PROTEIN SNF8

(Homo sapiens) 		PF04157
(EAP30) 		5 ILE A 169
LEU A 184
GLY A 117
ASN A 115
ALA A 174
 None
 1.27A 6r2eH-3cuqA:
undetectable		 6r2eH-3cuqA:
23.62
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.
3fm2 UNCHARACTERIZED
PROTEIN, DISTANTLY
RELATED TO A HEME
BINDING/DEGRADING
HEMS (PF05171)
FAMILY

(Trichormus
variabilis) 		PF06228
(ChuX_HutX) 		5 PHE A  99
LEU A  38
LEU A  15
GLY A  16
ALA A  11
 None
 1.22A 6r2eH-3fm2A:
undetectable		 6r2eH-3fm2A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fz4 PUTATIVE ARSENATE
REDUCTASE

(Streptococcus
mutans) 		PF03960
(ArsC) 		5 PHE A  56
ILE A  42
ASP A  88
LEU A  91
GLY A  89
 None
 1.25A 6r2eH-3fz4A:
undetectable		 6r2eH-3fz4A:
16.36
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.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		5 PHE C 136
LEU C   8
GLY C 295
ASN C 297
ALA C  17
 None
 1.22A 6r2eH-3gi8C:
undetectable		 6r2eH-3gi8C:
21.11
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 PHE A 351
ILE A  55
LEU A 170
LEU A 186
GLY A 187
 FAD  A 490 (-4.8A)
None
None
None
None
 1.26A 6r2eH-3ic9A:
undetectable		 6r2eH-3ic9A:
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.
3ics COENZYME A-DISULFIDE
REDUCTASE

(Bacillus
anthracis) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 PHE A 541
LEU A 516
GLY A 517
ASN A 536
ALA A 364
 None
 1.22A 6r2eH-3icsA:
undetectable		 6r2eH-3icsA:
21.58
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
ASP A 197
LEU A 200
GLY A 201
ASN A 205
 None
 0.85A 6r2eH-3kgbA:
36.4		 6r2eH-3kgbA:
54.27
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
TYR A 114
LEU A 200
GLY A 201
ASN A 205
 None
 0.82A 6r2eH-3kgbA:
36.4		 6r2eH-3kgbA:
54.27
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) 		10 ILE A 306
TRP A 307
ASN A 310
TYR A 333
LEU A 390
ASP A 416
LEU A 419
GLY A 420
ASN A 424
MET A 509
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
None
None
GOL  A 516 (-4.0A)
 0.58A 6r2eH-3kjrA:
44.5		 6r2eH-3kjrA:
35.42
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.
3l5a NADH/FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Staphylococcus
aureus) 		PF00724
(Oxidored_FMN) 		5 ILE A 215
ASN A  15
LEU A  13
ASP A 165
GLY A 166
 None
 1.30A 6r2eH-3l5aA:
undetectable		 6r2eH-3l5aA:
21.92
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.
3mn3 CARBON
CATABOLITE-DEREPRESS
ING PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 ILE A 162
LEU A 139
LEU A 242
GLY A 239
ALA A 154
 None
 1.26A 6r2eH-3mn3A:
undetectable		 6r2eH-3mn3A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		5 ILE A  83
TRP A 232
LEU A 219
ASP A 259
GLY A  63
 None
 1.28A 6r2eH-3op7A:
undetectable		 6r2eH-3op7A:
24.69
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.
3rwx HYPOTHETICAL
BACTERIAL OUTER
MEMBRANE PROTEIN

(Bacteroides
fragilis) 		PF13944
(Calycin_like) 		5 PHE A  95
ILE A  72
ASP A  69
GLY A  70
ASN A  31
 None
None
None
GOL  A 291 ( 4.5A)
MLY  A  32 (-3.9A)
 1.22A 6r2eH-3rwxA:
undetectable		 6r2eH-3rwxA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 403
ASN A 407
LEU A 487
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 0.97A 6r2eH-3um6A:
40.6		 6r2eH-3um6A:
28.95
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 403
TRP A 404
ASN A 407
TYR A 430
LEU A 487
ASN A 521
 None
None
None
None
None
UMP  A 611 (-2.8A)
 0.83A 6r2eH-3um6A:
40.6		 6r2eH-3um6A:
28.95
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.
3v0a LLAMA ANTIBODY F12

(Lama glama) 		PF07686
(V-set) 		5 TYR C  93
LEU C  80
ASP C  59
GLY C  60
ALA C  57
 None
 1.23A 6r2eH-3v0aC:
undetectable		 6r2eH-3v0aC:
20.27
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 ASN A  83
TYR A 106
LEU A 189
GLY A 221
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
 0.85A 6r2eH-3v8hA:
34.8		 6r2eH-3v8hA:
33.43
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 TRP A  80
ASN A  83
TYR A 106
LEU A 189
ASN A 225
 None
None
None
CIT  A 400 (-4.3A)
None
 0.73A 6r2eH-3v8hA:
34.8		 6r2eH-3v8hA:
33.43
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 TYR A 106
LEU A 189
LEU A 220
GLY A 221
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 0.90A 6r2eH-3v8hA:
34.8		 6r2eH-3v8hA:
33.43
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 ILE A  38
LEU A 299
ASP A 121
LEU A  48
GLY A  47
 None
 1.27A 6r2eH-3va8A:
undetectable		 6r2eH-3va8A:
21.93
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		5 ILE A  39
LEU A 301
ASP A 123
LEU A  50
GLY A  49
 None
 1.31A 6r2eH-3vdgA:
undetectable		 6r2eH-3vdgA:
23.85
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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		5 ILE A 346
LEU A 360
ASP A 339
GLY A 340
ALA A 461
 None
 1.25A 6r2eH-3wfzA:
undetectable		 6r2eH-3wfzA:
16.91
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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 ILE A 200
ASP A 238
LEU A 241
GLY A 183
ALA A 205
 None
 1.11A 6r2eH-3wtbA:
undetectable		 6r2eH-3wtbA:
18.81
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.
4cwe REPLICATION
INITIATION PROTEIN,
REPLICATION
INITIATION PROTEIN

(Staphylococcus
aureus) 		PF02486
(Rep_trans) 		5 PHE A  65
ILE A 129
TYR A  92
LEU A  54
MET A 133
 None
 1.21A 6r2eH-4cweA:
undetectable		 6r2eH-4cweA:
20.06
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 TYR A 149
ASP A 224
LEU A 227
GLY A 228
ASN A 232
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-2.7A)
 0.66A 6r2eH-4dq1A:
34.4		 6r2eH-4dq1A:
43.47
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) 		7 ILE A  79
TRP A  80
TYR A  94
LEU A 143
ASP A 169
GLY A 173
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
None
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
 0.75A 6r2eH-4fogA:
37.8		 6r2eH-4fogA:
44.92
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
TRP A  83
TYR A  97
LEU A 146
ASN A 180
 None
None
None
None
UMP  A 301 (-3.0A)
 0.79A 6r2eH-4h0uA:
36.0		 6r2eH-4h0uA:
43.38
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 TRP A  83
TYR A  97
LEU A 146
GLY A 176
ASN A 180
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-3.0A)
 0.94A 6r2eH-4h0uA:
36.0		 6r2eH-4h0uA:
43.38
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
TRP A 111
ASN A 114
TYR A 137
LEU A 194
GLY A 224
ASN A 228
 D16  A 402 (-4.0A)
None
None
None
None
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.89A 6r2eH-4iqqA:
41.5		 6r2eH-4iqqA:
60.43
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
TRP A 111
TYR A 137
LEU A 194
LEU A 223
GLY A 224
ASN A 228
 D16  A 402 (-4.0A)
None
None
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.99A 6r2eH-4iqqA:
41.5		 6r2eH-4iqqA:
60.43
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A  34
LEU A 300
ASP A 120
LEU A  45
GLY A  44
 None
 1.27A 6r2eH-4it1A:
undetectable		 6r2eH-4it1A:
22.22
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.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		5 ILE A 185
LEU A 348
LEU A 183
GLY A 182
ASN A 178
 None
 1.18A 6r2eH-4k05A:
undetectable		 6r2eH-4k05A:
22.22
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.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 TRP A 220
LEU A 163
LEU A 217
GLY A 215
ALA A 168
 None
 1.29A 6r2eH-4p08A:
undetectable		 6r2eH-4p08A:
20.36
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.
4p9u FATTY ACID
METABOLISM REGULATOR
PROTEIN

(Vibrio cholerae) 		no annotation 5 PHE E  74
ILE E  20
LEU E  40
LEU E  55
ALA E  12
 None
 1.15A 6r2eH-4p9uE:
undetectable		 6r2eH-4p9uE:
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.
4pb6 VP1

(Feline
calicivirus) 		PF00915
(Calici_coat) 		5 PHE A 361
ILE A 621
LEU A 601
ASP A 624
ALA A 653
 None
 1.25A 6r2eH-4pb6A:
undetectable		 6r2eH-4pb6A:
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 857
ASN A 911
ASP A 640
GLY A 878
ALA A 642
 None
None
CA  A1203 (-2.6A)
CA  A1203 ( 4.4A)
DCP  A1201 ( 4.3A)
 1.26A 6r2eH-4ptfA:
undetectable		 6r2eH-4ptfA:
13.08
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.
4qla JUVENILE HORMONE
EPOXIDE HYDROLASE

(Bombyx mori) 		PF06441
(EHN) 		5 LEU A 168
LEU A 151
GLY A 225
ASN A 250
ALA A 183
 None
 1.11A 6r2eH-4qlaA:
undetectable		 6r2eH-4qlaA:
22.48
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.
4xcv NADP-DEPENDENT
2-HYDROXYACID
DEHYDROGENASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		5 PHE A 181
TYR A 210
LEU A 147
GLY A 146
ALA A 154
 None
None
NDP  A 401 (-4.9A)
NDP  A 401 ( 3.7A)
None
 1.27A 6r2eH-4xcvA:
undetectable		 6r2eH-4xcvA:
22.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 PHE A  68
ASP A 206
LEU A 209
GLY A 210
ASN A 214
 None
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.41A 6r2eH-4xscA:
39.9		 6r2eH-4xscA:
65.94
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
TRP A  97
TYR A 123
LEU A 180
LEU A 209
GLY A 210
ASN A 214
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
None
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.95A 6r2eH-4xscA:
39.9		 6r2eH-4xscA:
65.94
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.
4yf6 BETA-CARBONIC
ANHYDRASE 1

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		5 ILE A  83
LEU A  46
LEU A  85
GLY A 148
ALA A  34
 None
 1.17A 6r2eH-4yf6A:
undetectable		 6r2eH-4yf6A:
20.80
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.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		5 ILE A  42
ASP A 293
GLY A 294
ASN A  67
ALA A   9
 None
 1.29A 6r2eH-4z7rA:
undetectable		 6r2eH-4z7rA:
22.69
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		5 LEU A  16
GLY A  14
ASN A  38
MET A 295
ALA A 296
 None
 1.25A 6r2eH-4zm6A:
undetectable		 6r2eH-4zm6A:
16.99
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 ILE A 514
LEU A 456
LEU A 588
GLY A 587
ALA A 590
 None
 1.08A 6r2eH-5aw4A:
undetectable		 6r2eH-5aw4A:
15.82
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 ILE A 102
TRP A 103
ASN A 106
TYR A 129
LEU A 186
ASN A 220
 DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
None
None
UMP  A 401 (-3.2A)
 0.71A 6r2eH-5by6A:
41.7		 6r2eH-5by6A:
61.66
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 PHE A  74
ASP A 212
LEU A 215
GLY A 216
ASN A 220
 None
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-3.2A)
 0.58A 6r2eH-5by6A:
41.7		 6r2eH-5by6A:
61.66
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
TRP A 103
ASN A 106
TYR A 129
ASN A 220
 None
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
None
UMP  A 401 (-3.2A)
 0.77A 6r2eH-5by6A:
41.7		 6r2eH-5by6A:
61.66
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ILE A1060
TYR A 984
GLY A 980
ASN A1014
ALA A1260
 None
 1.27A 6r2eH-5dotA:
undetectable		 6r2eH-5dotA:
12.27
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.
5dwf PEPTIDOGLYCAN
RECOGNITION PROTEIN
1

(Camelus
dromedarius) 		PF01510
(Amidase_2) 		5 TYR A 111
ASP A  78
LEU A  80
GLY A  79
ALA A  50
 None
 1.27A 6r2eH-5dwfA:
undetectable		 6r2eH-5dwfA:
18.35
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.
5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 LEU A 180
LEU A 249
GLY A 246
ASN A 318
ALA A 173
 None
 1.28A 6r2eH-5ee7A:
undetectable		 6r2eH-5ee7A:
20.51
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 ILE A 132
TRP A 133
ASN A 136
TYR A 159
LEU A 216
GLY A 246
ASN A 250
 D16  A 401 ( 4.0A)
None
None
None
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.89A 6r2eH-5h3aA:
42.3		 6r2eH-5h3aA:
71.38
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
TRP A 133
TYR A 159
GLY A 246
ASN A 250
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
None
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.87A 6r2eH-5h3aA:
42.3		 6r2eH-5h3aA:
71.38
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.
5h45 DNA REPAIR PROTEIN
RADA

(Thermus
thermophilus) 		PF13541
(ChlI) 		5 PHE A 405
LEU A 340
ASP A 348
GLY A 350
ALA A 283
 None
 1.25A 6r2eH-5h45A:
undetectable		 6r2eH-5h45A:
25.30
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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 PHE B 387
ILE B 365
ASN B 344
LEU B 322
ASP B 316
 None
 1.24A 6r2eH-5hz1B:
undetectable		 6r2eH-5hz1B:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A 867
LEU A 926
ASP A 873
LEU A 869
GLY A 870
 None
 1.20A 6r2eH-5ja1A:
undetectable		 6r2eH-5ja1A:
13.20
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 PHE B 334
LEU B 292
ASP B 344
LEU B 341
GLY B 342
 None
 1.28A 6r2eH-5khnB:
undetectable		 6r2eH-5khnB:
16.74
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.
5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC

(Flaveria
trinervia) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ILE A 815
TYR A 854
LEU A 773
GLY A 769
ALA A 752
 None
None
None
PYR  A 903 (-3.2A)
None
 1.05A 6r2eH-5lu4A:
undetectable		 6r2eH-5lu4A:
16.70
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) 		12 PHE A 374
ILE A 402
TRP A 403
ASN A 406
TYR A 429
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
None
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.81A 6r2eH-5t0lA:
45.1		 6r2eH-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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 ILE A  62
ASN A 150
LEU A 113
GLY A 110
ALA A 155
 None
 1.23A 6r2eH-5td7A:
undetectable		 6r2eH-5td7A:
17.60
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.
5ti8 AMINOTRANSFERASE

(Pseudomonas sp.
M1) 		PF00202
(Aminotran_3) 		5 ILE A 338
LEU A  73
LEU A 292
GLY A 291
ALA A 330
 None
 1.07A 6r2eH-5ti8A:
undetectable		 6r2eH-5ti8A:
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.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		5 PHE A 224
ILE A  81
ASN A 160
LEU A 191
ASP A 241
 None
None
BDR  A 402 (-3.1A)
None
BDR  A 402 ( 2.5A)
 1.29A 6r2eH-5tsqA:
undetectable		 6r2eH-5tsqA:
21.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 ILE A  87
TRP A  88
TYR A 102
LEU A 151
ASN A 185
 PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
None
None
PGE  A 301 ( 4.9A)
 0.68A 6r2eH-6aujA:
33.0		 6r2eH-6aujA:
48.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 ILE A  79
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.76A 6r2eH-6cdzA:
37.1		 6r2eH-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 ILE A  79
TRP A  80
TYR A  94
LEU A 143
ASN A 177
 CB3  A 701 (-3.9A)
None
None
None
UMP  A 702 ( 2.4A)
 0.71A 6r2eH-6cdzA:
37.1		 6r2eH-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 ILE A  79
TYR A  94
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.97A 6r2eH-6cdzA:
37.1		 6r2eH-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 TYR A  94
LEU A 143
GLY A 173
ASN A 177
ALA A 263
 None
None
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
CB3  A 701 (-3.4A)
 1.27A 6r2eH-6cdzA:
37.1		 6r2eH-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f8y THREONYLCARBAMOYL-AM
P SYNTHASE

(Pyrococcus
abyssi) 		no annotation 5 ILE A 169
LEU A 131
LEU A  39
GLY A  38
ALA A  41
 None
None
None
THR  A 401 (-3.4A)
None
 1.12A 6r2eH-6f8yA:
undetectable		 6r2eH-6f8yA:
undetectable