SIMILAR PATTERNS OF AMINO ACIDS FOR 5FCT_A_C2FA402_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		5 PHE B1814
LEU B1825
LEU B1774
GLY B1771
ALA B1778
 CYG  B1769 (-4.8A)
None
None
CYG  B1769 ( 4.1A)
None
 1.35A 5fctA-1a9xB:
0.0		 5fctA-1a9xB:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		9 PHE A  58
ILE A  86
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.72A 5fctA-1ci7A:
43.9		 5fctA-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		9 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.76A 5fctA-1ci7A:
43.9		 5fctA-1ci7A:
58.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 ILE A 749
LEU A 835
ASP A 859
GLY A 860
ALA A 865
 None
 1.36A 5fctA-1f4hA:
0.0		 5fctA-1f4hA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 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 5fctA-1h54A:
0.0		 5fctA-1h54A:
17.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		9 PHE A  80
ILE A 108
TRP A 109
ASN A 112
LEU A 192
ASP A 218
GLY A 222
TYR A 258
MET A 311
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.4A)
 0.71A 5fctA-1hvyA:
48.1		 5fctA-1hvyA:
93.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		9 PHE A  80
ILE A 108
TRP A 109
ASN A 112
LEU A 192
ASP A 218
LEU A 221
GLY A 222
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
 0.58A 5fctA-1hvyA:
48.1		 5fctA-1hvyA:
93.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		9 PHE A  80
ILE A 108
TRP A 109
LEU A 192
ASP A 218
GLY A 222
TYR A 258
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 (-3.3A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.66A 5fctA-1hvyA:
48.1		 5fctA-1hvyA:
93.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		9 PHE A  80
ILE A 108
TRP A 109
LEU A 192
ASP A 218
LEU A 221
GLY A 222
TYR A 258
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 ( 4.4A)
D16  A 414 (-3.6A)
 0.58A 5fctA-1hvyA:
48.1		 5fctA-1hvyA:
93.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ig0 THIAMIN
PYROPHOSPHOKINASE

(Saccharomyces
cerevisiae) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 ILE A 117
ASP A  69
LEU A  98
GLY A  96
ALA A  72
 None
 1.35A 5fctA-1ig0A:
0.0		 5fctA-1ig0A:
23.29
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.
1ks9 2-DEHYDROPANTOATE
2-REDUCTASE

(Escherichia
coli) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ILE A 129
LEU A  53
LEU A  14
GLY A  12
ALA A  18
 None
 1.29A 5fctA-1ks9A:
0.0		 5fctA-1ks9A:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pw4 GLYCEROL-3-PHOSPHATE
TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 PHE A 195
ILE A 198
LEU A  96
LEU A  43
ALA A  39
 None
 1.34A 5fctA-1pw4A:
0.0		 5fctA-1pw4A:
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 PHE E 305
ILE E 306
LEU E   6
ASP E  32
GLY E 217
 None
None
None
HH0  E 327 (-2.7A)
HH0  E 327 (-3.5A)
 1.30A 5fctA-1qrpE:
0.0		 5fctA-1qrpE:
21.69
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.
1r4n UBIQUITIN-ACTIVATING
ENZYME E1C

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind) 		5 ILE B 192
LEU B 145
LEU B 158
GLY B 156
TYR B 135
 None
ATP  B   5 (-4.5A)
None
None
None
 1.16A 5fctA-1r4nB:
undetectable		 5fctA-1r4nB:
21.00
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.
1t8h YLMD PROTEIN
SEQUENCE HOMOLOGUE

(Geobacillus
stearothermophilus) 		PF02578
(Cu-oxidase_4) 		5 LEU A  62
LEU A 118
GLY A 268
TYR A 129
ALA A 265
 None
 1.35A 5fctA-1t8hA:
undetectable		 5fctA-1t8hA:
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.
1zbu 3'-5' EXONUCLEASE
ERI1

(Homo sapiens) 		PF00929
(RNase_T) 		5 PHE A 154
LEU A 277
ASP A 297
LEU A 296
GLY A 295
 None
None
None
None
MG  A1001 ( 4.1A)
 1.31A 5fctA-1zbuA:
undetectable		 5fctA-1zbuA:
22.56
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) 		10 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.59A 5fctA-2aazA:
undetectable		 5fctA-2aazA:
59.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 5fctA-2ak3A:
undetectable		 5fctA-2ak3A:
23.58
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.
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
 1.03A 5fctA-2c3oA:
undetectable		 5fctA-2c3oA:
12.73
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 ILE B 482
ASN B 485
LEU B 509
GLY B 510
ALA B 521
 None
 1.33A 5fctA-2fffB:
undetectable		 5fctA-2fffB:
20.22
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 PHE A 117
ILE A 102
LEU A 430
LEU A  67
GLY A  66
 None
 1.19A 5fctA-2g3nA:
undetectable		 5fctA-2g3nA:
19.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PHE A 288
ILE A 316
ASN A 320
GLY A 430
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.86A 5fctA-2h2qA:
39.8		 5fctA-2h2qA:
39.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PHE A 288
ILE A 316
ASN A 320
LEU A 400
GLY A 430
 None
None
None
None
DU  A 611 (-3.5A)
 0.87A 5fctA-2h2qA:
39.8		 5fctA-2h2qA:
39.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A 288
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)
 0.75A 5fctA-2h2qA:
39.8		 5fctA-2h2qA:
39.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PHE A 288
ILE A 316
TRP A 317
ASN A 320
LEU A 400
 None
 0.56A 5fctA-2h2qA:
39.8		 5fctA-2h2qA:
39.16
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.
2hh9 THIAMIN
PYROPHOSPHOKINASE

(Candida
albicans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 ILE A 133
LEU A  54
ASP A  78
GLY A 112
ALA A  81
 None
None
MG  A 802 (-3.3A)
MG  A 804 ( 4.9A)
None
 1.29A 5fctA-2hh9A:
undetectable		 5fctA-2hh9A:
20.56
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.
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
 1.12A 5fctA-2ijzA:
undetectable		 5fctA-2ijzA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j86 PROTEIN
SERINE-THREONINE
PHOSPHATASE

(Synechococcus
elongatus) 		PF13672
(PP2C_2) 		5 PHE A  20
LEU A  11
LEU A 195
GLY A 194
ALA A 223
 None
 1.25A 5fctA-2j86A:
undetectable		 5fctA-2j86A:
21.94
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.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 ILE A 482
ASN A 485
LEU A 509
GLY A 510
ALA A 521
 None
 1.33A 5fctA-2jchA:
undetectable		 5fctA-2jchA:
18.11
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.
2lm9 BLO T 21 ALLERGEN

(Blomia
tropicalis) 		PF11642
(Blo-t-5) 		5 PHE A  63
ILE A  27
ASP A  96
LEU A  99
GLY A  95
 None
 1.37A 5fctA-2lm9A:
undetectable		 5fctA-2lm9A:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 ILE B2192
LEU B2145
LEU B2158
GLY B2156
TYR B2135
 None
ATP  B 103 ( 4.9A)
None
None
None
 1.15A 5fctA-2nvuB:
undetectable		 5fctA-2nvuB:
16.71
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) 		10 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.65A 5fctA-2oipA:
44.8		 5fctA-2oipA:
34.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r62 CELL DIVISION
PROTEASE FTSH
HOMOLOG

(Helicobacter
pylori) 		PF00004
(AAA) 		5 PHE A 232
ILE A 266
ASP A 269
GLY A 235
ALA A 316
 None
 1.08A 5fctA-2r62A:
undetectable		 5fctA-2r62A:
24.10
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
TYR A 261
 THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.72A 5fctA-2tddA:
34.6		 5fctA-2tddA:
43.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v95 CORTICOSTEROID-BINDI
NG GLOBULIN

(Rattus
norvegicus) 		PF00079
(Serpin) 		5 ASN A  99
LEU A 167
LEU A  52
GLY A  53
ALA A  48
 None
 1.28A 5fctA-2v95A:
undetectable		 5fctA-2v95A:
21.08
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.
2xvn ASPERGILLUS
FUMIGATUS CHITINASE
A1

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 TRP A 228
ASN A  57
LEU A 118
ASP A  54
LEU A  31
 None
 1.35A 5fctA-2xvnA:
undetectable		 5fctA-2xvnA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9y ISWI ONE COMPLEX
PROTEIN 3

(Saccharomyces
cerevisiae) 		PF15612
(WHIM1) 		5 PHE B 604
LEU B 535
LEU B 540
GLY B 541
TYR B 432
 None
 1.38A 5fctA-2y9yB:
undetectable		 5fctA-2y9yB:
20.86
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.
2zci PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Corynebacterium
glutamicum) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ILE A  60
LEU A 367
ASP A 353
LEU A  62
GLY A 352
 None
 1.37A 5fctA-2zciA:
undetectable		 5fctA-2zciA:
19.97
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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		5 ILE A 381
TRP A 378
LEU A 155
ASP A 119
GLY A 121
 None
 1.33A 5fctA-2zu8A:
undetectable		 5fctA-2zu8A:
23.30
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		5 LEU A  80
ASP A 380
LEU A 359
GLY A 379
ALA A  36
 None
 1.39A 5fctA-2zzrA:
undetectable		 5fctA-2zzrA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 5fctA-3ajeA:
undetectable		 5fctA-3ajeA:
21.86
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.
3efb PROBABLE SOR-OPERON
REGULATOR

(Shigella
flexneri) 		PF04198
(Sugar-bind) 		5 PHE A 176
ASN A 209
ASP A 183
GLY A 179
ALA A 187
 None
 1.22A 5fctA-3efbA:
undetectable		 5fctA-3efbA:
21.14
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.
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
 1.31A 5fctA-3fm2A:
undetectable		 5fctA-3fm2A:
19.39
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.
3fnt HAP PROTEIN

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 PHE A 310
ILE A 153
LEU A  30
LEU A 214
ALA A  34
 None
 1.32A 5fctA-3fntA:
undetectable		 5fctA-3fntA:
22.80
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.
3gq2 GENERAL VESICULAR
TRANSPORT FACTOR
P115

(Bos taurus) 		PF04869
(Uso1_p115_head) 		5 PHE A 134
ILE A 182
LEU A 188
GLY A 142
TYR A  87
 None
 1.39A 5fctA-3gq2A:
undetectable		 5fctA-3gq2A:
20.64
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.
3gvz UNCHARACTERIZED
PROTEIN CV2077

(Chromobacterium
violaceum) 		PF03417
(AAT) 		5 PHE A 215
TRP A 242
LEU A  68
ASP A 269
ALA A 271
 None
 0.85A 5fctA-3gvzA:
undetectable		 5fctA-3gvzA:
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.
3jb9 SMALL NUCLEAR
RIBONUCLEOPROTEIN-AS
SOCIATED PROTEIN B
PRE-MRNA-SPLICING
FACTOR CWF17
PRE-MRNA-PROCESSING
FACTOR 17

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF01423
(LSM)
PF00400
(WD40)
PF01423
(LSM) 		5 ILE L 324
ASN g  56
LEU L 306
LEU L  44
ALA E 104
 None
 1.37A 5fctA-3jb9L:
undetectable		 5fctA-3jb9L:
21.61
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
TYR A 237
 None
 0.85A 5fctA-3kgbA:
36.8		 5fctA-3kgbA:
58.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 306
TRP A 307
ASN A 310
LEU A 390
ASP A 416
LEU A 419
GLY A 420
TYR A 456
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.51A 5fctA-3kjrA:
45.2		 5fctA-3kjrA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 TRP A 307
ASN A 310
LEU A 390
ASP A 416
LEU A 419
GLY A 420
TYR A 456
MET A 509
 GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
None
GOL  A 516 (-4.0A)
 0.73A 5fctA-3kjrA:
45.2		 5fctA-3kjrA:
34.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A  59
ILE A  67
LEU A  73
GLY A 169
ALA A 173
 None
 1.39A 5fctA-3mi9A:
undetectable		 5fctA-3mi9A:
19.84
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.
3mn1 PROBABLE YRBI FAMILY
PHOSPHATASE

(Pseudomonas
savastanoi) 		PF08282
(Hydrolase_3) 		5 ILE A 124
LEU A  97
LEU A 129
GLY A 128
ALA A  20
 None
 1.10A 5fctA-3mn1A:
undetectable		 5fctA-3mn1A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nrf APAG PROTEIN

(Pseudomonas
aeruginosa) 		PF14263
(DUF4354) 		5 PHE A  30
LEU A  82
ASP A 103
GLY A 102
ALA A  50
 MRD  A 128 (-4.4A)
None
None
None
None
 1.09A 5fctA-3nrfA:
undetectable		 5fctA-3nrfA:
15.58
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.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 294
ASP A 116
LEU A  45
GLY A  44
ALA A 323
 None
 1.31A 5fctA-3nzgA:
undetectable		 5fctA-3nzgA:
20.44
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.
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
 1.31A 5fctA-3op7A:
undetectable		 5fctA-3op7A:
23.92
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.
3qz3 FERRITIN

(Vibrio cholerae) 		PF00210
(Ferritin) 		5 PHE A  48
ILE A 143
LEU A  89
GLY A  90
ALA A 156
 EDO  A 182 ( 4.7A)
None
None
None
None
 1.32A 5fctA-3qz3A:
undetectable		 5fctA-3qz3A:
19.47
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.
3ro2 G-PROTEIN-SIGNALING
MODULATOR 2
PEPTIDE OF NUCLEAR
MITOTIC APPARATUS
PROTEIN 1

(Mus musculus;
Homo sapiens) 		PF13176
(TPR_7)
PF13424
(TPR_12)
no annotation 		5 ASN A  63
LEU B2004
LEU A 101
GLY A 102
ALA A  74
 GOL  A   2 (-3.6A)
GOL  A   2 ( 4.3A)
None
None
None
 1.36A 5fctA-3ro2A:
undetectable		 5fctA-3ro2A:
21.69
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.
3ro3 G-PROTEIN-SIGNALING
MODULATOR 2
PEPTIDE OF PROTEIN
INSCUTEABLE HOMOLOG

(Mus musculus;
Mus musculus) 		PF13424
(TPR_12)
PF16748
(INSC_LBD) 		5 ASN A 243
LEU B  77
LEU A 281
GLY A 282
ALA A 254
 None
 1.32A 5fctA-3ro3A:
undetectable		 5fctA-3ro3A:
21.31
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.
3tvi ASPARTOKINASE

(Clostridium
acetobutylicum) 		PF00696
(AA_kinase)
PF01842
(ACT) 		5 PHE A   8
ILE A  35
GLY A 120
TYR A 171
ALA A 134
 None
 1.35A 5fctA-3tviA:
undetectable		 5fctA-3tviA:
22.97
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 LEU A 299
ASP A 121
LEU A  48
GLY A  47
ALA A 329
 None
 1.37A 5fctA-3va8A:
undetectable		 5fctA-3va8A:
21.29
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		5 LEU A 301
ASP A 123
LEU A  50
GLY A  49
ALA A 331
 None
 1.36A 5fctA-3vdgA:
undetectable		 5fctA-3vdgA:
23.09
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.
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
 1.05A 5fctA-3wtbA:
undetectable		 5fctA-3wtbA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cj2 AFFITIN H4

(Sulfolobus
acidocaldarius) 		PF02294
(7kD_DNA_binding) 		5 ILE C  33
LEU C  58
ASP C  44
GLY C  43
ALA C  26
 None
 1.37A 5fctA-4cj2C:
undetectable		 5fctA-4cj2C:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 177
ASP A 196
GLY A  12
TYR A 580
ALA A 584
 None
 1.00A 5fctA-4cw4A:
undetectable		 5fctA-4cw4A:
20.20
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Thermobispora
bispora) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 296
ASP A 118
LEU A  45
GLY A  44
ALA A 326
 None
 1.37A 5fctA-4dhgA:
undetectable		 5fctA-4dhgA:
20.76
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) 		5 LEU A 198
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)
 0.64A 5fctA-4dq1A:
34.6		 5fctA-4dq1A:
46.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 ILE A1275
LEU A1279
ASP A1034
GLY A1031
ALA A1401
 None
 1.23A 5fctA-4fbqA:
undetectable		 5fctA-4fbqA:
21.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		6 ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.55A 5fctA-4fogA:
38.1		 5fctA-4fogA:
48.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ig7 UBIQUITIN C-TERMINAL
HYDROLASE 37

(Trichinella
spiralis) 		PF01088
(Peptidase_C12) 		5 ILE A  81
LEU A 178
LEU A 127
GLY A 124
ALA A  89
 None
 1.34A 5fctA-4ig7A:
undetectable		 5fctA-4ig7A:
22.62
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 PHE A  17
ASN A 280
LEU A 308
LEU A 277
ALA A  47
 None
 1.27A 5fctA-4mifA:
undetectable		 5fctA-4mifA:
18.75
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.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		5 PHE X 165
ILE X 164
LEU X 226
GLY X  74
ALA X 232
 None
 1.09A 5fctA-4pkaX:
undetectable		 5fctA-4pkaX:
21.09
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.
4rsh LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Desulfitobacterium
hafniense) 		PF13472
(Lipase_GDSL_2) 		5 PHE A 170
ILE A 167
ASN A 197
ASP A 187
LEU A 156
 None
 1.33A 5fctA-4rshA:
undetectable		 5fctA-4rshA:
21.50
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 ILE A2466
LEU A2290
ASP A2432
LEU A2436
GLY A2435
 None
 1.35A 5fctA-4tvcA:
undetectable		 5fctA-4tvcA:
13.69
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.
4v3d HB3VAR03 CIDRA
DOMAIN
ENDOTHELIAL PROTEIN
C RECEPTOR

(Plasmodium
falciparum;
Homo sapiens) 		PF03011
(PFEMP)
PF16497
(MHC_I_3) 		5 ILE A 659
TRP A 669
LEU A 583
LEU B  82
GLY B  78
 None
 1.35A 5fctA-4v3dA:
undetectable		 5fctA-4v3dA:
20.45
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
LEU A 209
GLY A 210
TYR A 246
 None
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.65A 5fctA-4xscA:
40.5		 5fctA-4xscA:
65.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		6 PHE A  68
ILE A  96
LEU A 180
LEU A 209
GLY A 210
TYR A 246
 None
1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.85A 5fctA-4xscA:
40.5		 5fctA-4xscA:
65.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 PHE A  68
ILE A  96
TRP A  97
LEU A 180
GLY A 210
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
 0.85A 5fctA-4xscA:
40.5		 5fctA-4xscA:
65.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		5 ILE A 250
TRP A 288
LEU A 213
ASP A 216
GLY A 217
 None
 1.10A 5fctA-4z7rA:
undetectable		 5fctA-4z7rA:
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.
4zqb NADP-DEPENDENT
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF02826
(2-Hacid_dh_C) 		5 ILE A   4
LEU A  58
LEU A   6
GLY A  33
ALA A  51
 None
 1.24A 5fctA-4zqbA:
undetectable		 5fctA-4zqbA:
23.50
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 ILE A 184
LEU A  75
ASP A  81
LEU A  83
GLY A  82
 None
 1.21A 5fctA-5bn4A:
undetectable		 5fctA-5bn4A:
20.31
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
TYR A 252
 None
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 0.54A 5fctA-5by6A:
42.1		 5fctA-5by6A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		5 PHE A  74
ILE A 102
TRP A 103
ASN A 106
LEU A 186
 None
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
None
 0.83A 5fctA-5by6A:
42.1		 5fctA-5by6A:
63.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5doi TELOMERASE
ASSOCIATED PROTEIN
P45

(Tetrahymena
thermophila) 		no annotation 5 LEU E  29
ASP E  54
LEU E  10
GLY E  57
TYR E 116
 None
 1.36A 5fctA-5doiE:
undetectable		 5fctA-5doiE:
19.00
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) 		5 PHE A 104
ILE A 132
LEU A 216
GLY A 246
TYR A 282
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.99A 5fctA-5h3aA:
42.8		 5fctA-5h3aA:
71.83
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) 		5 PHE A 104
LEU A 216
ASP A 242
GLY A 246
TYR A 282
 D16  A 401 (-3.6A)
None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.98A 5fctA-5h3aA:
42.8		 5fctA-5h3aA:
71.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 5fctA-5hz1B:
undetectable		 5fctA-5hz1B:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jzb 4,5:9,10-DISECO-3-HY
DROXY-5,9,17-TRIOXOA
NDROSTA-1(10),2-DIEN
E-4-OATE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 PHE A 264
ILE A 236
LEU A 134
GLY A 138
ALA A 252
 None
 1.35A 5fctA-5jzbA:
undetectable		 5fctA-5jzbA:
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.
5k8d COAGULATION FACTOR
VIII,IG GAMMA-1
CHAIN C REGION

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		5 PHE B1735
LEU B1878
LEU B1758
GLY B1757
ALA B1920
 None
 1.27A 5fctA-5k8dB:
undetectable		 5fctA-5k8dB:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 ILE B 776
LEU B 770
LEU B 841
GLY B 838
ALA B 844
 None
 1.31A 5fctA-5khnB:
undetectable		 5fctA-5khnB:
15.99
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus;
Bos taurus) 		PF00146
(NADHdh)
PF00499
(Oxidored_q3) 		5 PHE J  68
LEU H 146
LEU J  61
GLY J  62
ALA H 107
 None
 1.35A 5fctA-5lc5J:
undetectable		 5fctA-5lc5J:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
3
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Bos taurus;
Bos taurus;
Bos taurus) 		PF00507
(Oxidored_q4)
PF00420
(Oxidored_q2)
PF00361
(Proton_antipo_M)
PF06444
(NADH_dehy_S2_C) 		5 PHE A  56
LEU N  38
LEU K  75
GLY K  74
ALA K  68
 None
 1.36A 5fctA-5lc5A:
undetectable		 5fctA-5lc5A:
15.66
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.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		5 PHE A 306
ILE A 307
LEU A   6
ASP A  32
GLY A 217
 None
 1.36A 5fctA-5pepA:
undetectable		 5fctA-5pepA:
21.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.64A 5fctA-5t0lA:
45.3		 5fctA-5t0lA:
35.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5th3 R-SWAI PROTEIN

(Staphylococcus
warneri) 		no annotation 5 ILE A 108
ASN A 105
LEU A 129
TYR A 144
ALA A 174
 None
 1.38A 5fctA-5th3A:
undetectable		 5fctA-5th3A:
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.
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
 1.17A 5fctA-5ti8A:
undetectable		 5fctA-5ti8A:
22.08
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.
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)
 1.38A 5fctA-5tsqA:
undetectable		 5fctA-5tsqA:
24.40
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.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 PHE A 138
ILE A   7
LEU A 119
LEU A 154
GLY A 150
 None
 1.20A 5fctA-5ucyA:
undetectable		 5fctA-5ucyA:
20.81
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.97A 5fctA-6cdzA:
37.6		 5fctA-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
 1.11A 5fctA-6f8yA:
undetectable		 5fctA-6f8yA:
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 5 PHE A 265
ILE A  99
LEU A 130
GLY A 136
ALA A 446
 None
 1.24A 5fctA-6frlA:
undetectable		 5fctA-6frlA:
undetectable