SIMILAR PATTERNS OF AMINO ACIDS FOR 6R2E_G_FFOG403

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.
1ae1 TROPINONE
REDUCTASE-I

(Datura
stramonium) 		PF13561
(adh_short_C2) 		5 PHE A 226
ILE A 159
TRP A 262
GLY A 266
PHE A 267
 None
 1.36A 6r2eG-1ae1A:
0.0		 6r2eG-1ae1A:
21.31
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) 		10 PHE A  58
ILE A  86
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
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 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 1.03A 6r2eG-1ci7A:
43.4		 6r2eG-1ci7A:
55.56
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
ASN A 210
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)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.78A 6r2eG-1ci7A:
43.4		 6r2eG-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.
1fnz BARK AGGLUTININ I,
POLYPEPTIDE A

(Robinia
pseudoacacia) 		PF00139
(Lectin_legB) 		5 ILE A 121
LEU A  51
LEU A 101
GLY A 108
PHE A 110
 None
 1.16A 6r2eG-1fnzA:
0.0		 6r2eG-1fnzA:
22.09
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.
1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 PHE A  65
ILE A  73
LEU A 389
LEU A 112
PHE A  70
 None
 1.19A 6r2eG-1g55A:
0.0		 6r2eG-1g55A:
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.
1h4r MERLIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 ASN A 220
LEU A 299
LEU A  97
GLY A  63
PHE A  62
 None
 1.22A 6r2eG-1h4rA:
0.0		 6r2eG-1h4rA:
23.16
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
ASN A 112
LEU A 192
ASP A 218
LEU A 221
GLY A 222
PHE A 225
ASN A 226
 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)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
 0.84A 6r2eG-1hvyA:
47.1		 6r2eG-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) 		8 PHE A  80
ILE A 108
LEU A 192
ASP A 218
GLY A 222
PHE A 225
ASN A 226
MET A 311
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
 1.00A 6r2eG-1hvyA:
47.1		 6r2eG-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) 		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
ASN A 226
 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 (-3.0A)
 0.61A 6r2eG-1hvyA:
47.1		 6r2eG-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) 		8 PHE A  80
ILE A 108
TRP A 109
LEU A 192
ASP A 218
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
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
 0.76A 6r2eG-1hvyA:
47.1		 6r2eG-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 ASP C 513
LEU C 516
GLY C 517
PHE C 520
ASN C 521
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-2.8A)
 0.36A 6r2eG-1j3jC:
40.5		 6r2eG-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) 		5 ILE C 403
TRP C 404
ASN C 407
LEU C 487
ASN C 521
 None
None
None
None
UMP  C 611 (-2.8A)
 0.90A 6r2eG-1j3jC:
40.5		 6r2eG-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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 PHE A 222
ILE A  81
ASN A 158
LEU A 189
ASP A 240
 None
GOL  A3005 ( 4.2A)
GOL  A3001 ( 3.1A)
None
GOL  A3001 ( 2.5A)
 1.31A 6r2eG-1q8fA:
0.0		 6r2eG-1q8fA:
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.
1qdn PROTEIN
(N-ETHYLMALEIMIDE
SENSITIVE FUSION
PROTEIN (NSF))

(Cricetulus
griseus) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		5 PHE A 125
ASN A 180
LEU A 176
GLY A 175
PHE A 130
 None
None
BME  A 401 (-4.1A)
None
None
 1.18A 6r2eG-1qdnA:
0.0		 6r2eG-1qdnA:
21.71
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.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 PHE A 125
ILE A 176
LEU A 217
LEU A 178
GLY A  28
 None
 1.35A 6r2eG-2a30A:
undetectable		 6r2eG-2a30A:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		11 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
ASN A 227
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 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.50A 6r2eG-2aazA:
undetectable		 6r2eG-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.
2efl FORMIN-BINDING
PROTEIN 1

(Homo sapiens) 		PF00611
(FCH) 		5 PHE A  11
ILE A 216
LEU A   7
GLY A   4
PHE A 213
 None
 1.33A 6r2eG-2eflA:
undetectable		 6r2eG-2eflA:
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.
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 6r2eG-2g3nA:
undetectable		 6r2eG-2g3nA:
21.16
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
ASN A 320
GLY A 430
PHE A 433
ASN A 434
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-3.0A)
 1.09A 6r2eG-2h2qA:
39.5		 6r2eG-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) 		6 PHE A 288
ILE A 316
ASP A 426
GLY A 430
PHE A 433
ASN A 434
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-3.0A)
 1.03A 6r2eG-2h2qA:
39.5		 6r2eG-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) 		6 PHE A 288
ILE A 316
ASP A 426
LEU A 429
GLY A 430
ASN A 434
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.76A 6r2eG-2h2qA:
39.5		 6r2eG-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
LEU A 400
PHE A 433
ASN A 434
 None
None
None
None
None
None
DU  A 611 (-3.0A)
 1.06A 6r2eG-2h2qA:
39.5		 6r2eG-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
 1.26A 6r2eG-2hf8A:
undetectable		 6r2eG-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.
2hy5 PUTATIVE
SULFURTRANSFERASE
DSRE
INTRACELLULAR SULFUR
OXIDATION PROTEIN
DSRF

(Allochromatium
vinosum;
Allochromatium
vinosum) 		PF02635
(DrsE)
PF02635
(DrsE) 		5 PHE A  23
LEU B 211
GLY A 129
PHE A 128
ASN A   8
 None
 1.15A 6r2eG-2hy5A:
undetectable		 6r2eG-2hy5A:
18.27
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.
2i5p GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Kluyveromyces
marxianus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 PHE O  44
ILE O  30
LEU O  82
GLY O   7
PHE O   8
 None
 1.32A 6r2eG-2i5pO:
undetectable		 6r2eG-2i5pO:
25.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ia7 TAIL LYSOZYME,
PUTATIVE

(Geobacter
sulfurreducens) 		PF04965
(GPW_gp25) 		5 PHE A 127
ILE A 108
LEU A  71
GLY A  72
ASN A  76
 None
 1.24A 6r2eG-2ia7A:
undetectable		 6r2eG-2ia7A:
15.84
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
PHE A 433
ASN A 434
MET A 519
 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)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
 0.70A 6r2eG-2oipA:
44.5		 6r2eG-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) 		6 ILE A  81
LEU A 195
ASP A 221
GLY A 225
PHE A 228
ASN A 229
 THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.82A 6r2eG-2tddA:
34.4		 6r2eG-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
LEU A 195
PHE A 228
ASN A 229
 THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.82A 6r2eG-2tddA:
34.4		 6r2eG-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) 		6 LEU A 195
ASP A 221
LEU A 224
GLY A 225
PHE A 228
ASN A 229
 THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.64A 6r2eG-2tddA:
34.4		 6r2eG-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.
2w3y VIRULENCE FACTOR

(Pectobacterium
carotovorum) 		no annotation 5 PHE A 144
ASN A 272
ASP A 176
PHE A 266
ASN A  50
 None
 1.35A 6r2eG-2w3yA:
undetectable		 6r2eG-2w3yA:
20.93
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.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ILE A  45
TRP A 490
LEU A 485
ASP A 472
PHE A 468
 None
 1.32A 6r2eG-2xpzA:
undetectable		 6r2eG-2xpzA:
18.57
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.
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
 1.35A 6r2eG-2zciA:
undetectable		 6r2eG-2zciA:
19.66
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.
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
 1.32A 6r2eG-2zu8A:
undetectable		 6r2eG-2zu8A:
20.69
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 ASN A 677
LEU A 674
ASP A 593
LEU A 153
GLY A 111
 None
 1.36A 6r2eG-3abzA:
undetectable		 6r2eG-3abzA:
16.83
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.
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
 1.18A 6r2eG-3afoA:
undetectable		 6r2eG-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.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		5 PHE A  52
ASN A 180
LEU A 111
GLY A 110
PHE A 108
 None
 1.21A 6r2eG-3aquA:
undetectable		 6r2eG-3aquA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkf THIOL-DISULFIDE
OXIDOREDUCTASE

(Bacteroides
fragilis) 		PF13905
(Thioredoxin_8) 		5 ILE A  70
LEU A  88
LEU A 112
PHE A  37
ASN A 115
 None
 1.18A 6r2eG-3fkfA:
undetectable		 6r2eG-3fkfA:
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 236
LEU A 132
LEU A 239
GLY A 160
PHE A 161
 None
 1.17A 6r2eG-3fw8A:
undetectable		 6r2eG-3fw8A:
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.
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
 1.21A 6r2eG-3fz4A:
undetectable		 6r2eG-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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 ILE A  19
ASP A 475
GLY A 410
PHE A 409
ASN A 407
 None
 1.32A 6r2eG-3h7lA:
undetectable		 6r2eG-3h7lA:
19.11
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.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		5 TRP A 384
ASN A 254
ASP A 387
LEU A 386
ASN A 380
 None
 1.23A 6r2eG-3hsiA:
undetectable		 6r2eG-3hsiA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 LEU A 143
LEU A 172
GLY A 173
PHE A 176
ASN A 177
 None
 0.73A 6r2eG-3ix6A:
32.8		 6r2eG-3ix6A:
45.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 PHE A  60
ASP A 197
GLY A 201
PHE A 204
ASN A 205
 None
 1.18A 6r2eG-3kgbA:
36.3		 6r2eG-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
ASP A 197
LEU A 200
GLY A 201
ASN A 205
 None
 0.80A 6r2eG-3kgbA:
36.3		 6r2eG-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
LEU A 390
ASP A 416
LEU A 419
GLY A 420
PHE A 423
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)
 0.51A 6r2eG-3kjrA:
44.6		 6r2eG-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
 1.28A 6r2eG-3l5aA:
undetectable		 6r2eG-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.
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
 1.30A 6r2eG-3op7A:
undetectable		 6r2eG-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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		5 ASN A 142
LEU A 138
LEU A 171
GLY A 168
PHE A 166
 None
 1.36A 6r2eG-3otxA:
undetectable		 6r2eG-3otxA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.23A 6r2eG-3rwxA:
undetectable		 6r2eG-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.
3tc3 UV DAMAGE
ENDONUCLEASE

(Sulfolobus
acidocaldarius) 		PF03851
(UvdE) 		5 PHE A 160
ILE A 173
ASN A 175
GLY A 143
PHE A 156
 None
 1.20A 6r2eG-3tc3A:
undetectable		 6r2eG-3tc3A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL

(Homo sapiens) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ILE A 570
LEU A 229
LEU A 563
GLY A 565
MET A 543
 None
 1.32A 6r2eG-3u1kA:
undetectable		 6r2eG-3u1kA:
21.38
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.
3u41 TWIN-ARGININE
LEADER-BINDING
PROTEIN DMSD

(Escherichia
coli) 		PF02613
(Nitrate_red_del) 		5 PHE A 166
LEU A 150
ASP A 126
GLY A  88
PHE A 162
 None
 1.25A 6r2eG-3u41A:
undetectable		 6r2eG-3u41A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 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 ASN A 407
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 None
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 0.77A 6r2eG-3um6A:
40.7		 6r2eG-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) 		5 ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 0.41A 6r2eG-3um6A:
40.7		 6r2eG-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) 		5 ILE A 403
TRP A 404
ASN A 407
LEU A 487
ASN A 521
 None
None
None
None
UMP  A 611 (-2.8A)
 0.89A 6r2eG-3um6A:
40.7		 6r2eG-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) 		5 PHE A 375
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 None
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 1.16A 6r2eG-3um6A:
40.7		 6r2eG-3um6A:
28.95
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
LEU A 189
GLY A 221
PHE A 224
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 1.05A 6r2eG-3v8hA:
34.8		 6r2eG-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 ASN A  83
LEU A 189
LEU A 220
GLY A 221
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 0.79A 6r2eG-3v8hA:
34.8		 6r2eG-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
LEU A 189
PHE A 224
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
 0.87A 6r2eG-3v8hA:
34.8		 6r2eG-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
 1.31A 6r2eG-3va8A:
undetectable		 6r2eG-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
 1.35A 6r2eG-3vdgA:
undetectable		 6r2eG-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.
3wq1 ENDOGLUCANASE A

(Pyrococcus
furiosus) 		PF01670
(Glyco_hydro_12) 		5 ILE A 259
LEU A 310
ASP A 156
GLY A 262
PHE A 264
 None
 1.33A 6r2eG-3wq1A:
undetectable		 6r2eG-3wq1A:
19.15
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
LEU A 143
ASP A 169
GLY A 173
PHE A 176
ASN A 177
 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 (-3.7A)
UFP  A 301 (-2.8A)
 0.59A 6r2eG-4fogA:
37.8		 6r2eG-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 ASP A 172
LEU A 175
GLY A 176
PHE A 179
ASN A 180
 None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
 0.55A 6r2eG-4h0uA:
36.1		 6r2eG-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 LEU A 146
LEU A 175
GLY A 176
PHE A 179
ASN A 180
 None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
 0.91A 6r2eG-4h0uA:
36.1		 6r2eG-4h0uA:
43.38
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.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		5 ILE A 266
TRP A  21
ASP A 270
GLY A 269
PHE A 207
 FMN  A 401 ( 4.7A)
None
None
None
None
 1.31A 6r2eG-4iqlA:
undetectable		 6r2eG-4iqlA:
23.42
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
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)
 0.98A 6r2eG-4iqqA:
41.5		 6r2eG-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
ASN A 114
LEU A 223
GLY A 224
PHE A 227
ASN A 228
 D16  A 402 (-4.0A)
None
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
UMP  A 401 (-3.3A)
 1.13A 6r2eG-4iqqA:
41.5		 6r2eG-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.
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
 1.02A 6r2eG-4k05A:
undetectable		 6r2eG-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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A 413
ASP A  27
LEU A  29
GLY A  59
PHE A  60
 None
 1.33A 6r2eG-4lnfA:
undetectable		 6r2eG-4lnfA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		5 PHE A  50
ASN A 181
LEU A 111
GLY A 110
PHE A 108
 None
 1.20A 6r2eG-4uriA:
undetectable		 6r2eG-4uriA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uwm 3,6-DIKETOCAMPHANE
1,6 MONOOXYGENASE

(Pseudomonas
putida) 		PF00296
(Bac_luciferase) 		5 ILE A 288
TRP A 289
LEU A 314
GLY A 293
PHE A 292
 None
FMN  A 400 ( 4.8A)
None
None
None
 1.34A 6r2eG-4uwmA:
undetectable		 6r2eG-4uwmA:
22.49
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 6r2eG-4xscA:
39.7		 6r2eG-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) 		6 PHE A  68
ILE A  96
LEU A 180
GLY A 210
PHE A 213
ASN A 214
 None
1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-2.8A)
 1.32A 6r2eG-4xscA:
39.7		 6r2eG-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) 		7 PHE A  68
ILE A  96
TRP A  97
LEU A 180
LEU A 209
GLY A 210
ASN A 214
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.94A 6r2eG-4xscA:
39.7		 6r2eG-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.
4zmm DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		5 PHE A 264
ILE A 303
ASN A 336
LEU A 327
GLY A 306
 None
 1.35A 6r2eG-4zmmA:
undetectable		 6r2eG-4zmmA:
20.49
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 ILE A 102
TRP A 103
ASN A 106
LEU A 186
ASN A 220
 DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
None
UMP  A 401 (-3.2A)
 0.96A 6r2eG-5by6A:
41.7		 6r2eG-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 6r2eG-5by6A:
41.7		 6r2eG-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
ILE A 102
ASN A 106
PHE A 219
ASN A 220
 None
DTT  A 402 ( 4.3A)
None
DTT  A 402 ( 4.1A)
UMP  A 401 (-3.2A)
 1.24A 6r2eG-5by6A:
41.7		 6r2eG-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
ILE A 102
TRP A 103
ASN A 106
ASN A 220
 None
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
UMP  A 401 (-3.2A)
 0.82A 6r2eG-5by6A:
41.7		 6r2eG-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.
5fgn LIPOOLIGOSACCHARIDE
PHOSPHOETHANOLAMINE
TRANSFERASE A

(Neisseria
meningitidis) 		PF00884
(Sulfatase)
PF08019
(DUF1705) 		5 ILE A 376
ASN A 336
LEU A 284
PHE A 288
ASN A 306
 None
 1.32A 6r2eG-5fgnA:
undetectable		 6r2eG-5fgnA:
18.76
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
LEU A 216
GLY A 246
PHE A 249
ASN A 250
 D16  A 401 ( 4.0A)
None
None
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
 1.11A 6r2eG-5h3aA:
42.6		 6r2eG-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
GLY A 246
PHE A 249
ASN A 250
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-3.2A)
 1.26A 6r2eG-5h3aA:
42.6		 6r2eG-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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 5 ILE C 290
LEU C 298
GLY C 296
PHE C 295
ASN C 368
 None
None
None
None
SFG  C1002 (-4.1A)
 1.33A 6r2eG-5hr4C:
undetectable		 6r2eG-5hr4C:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.10A 6r2eG-5hz1B:
undetectable		 6r2eG-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
 1.10A 6r2eG-5ja1A:
undetectable		 6r2eG-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.
5lc8 ARACHIDONATE
15-LIPOXYGENASE

(Pseudomonas
aeruginosa) 		PF00305
(Lipoxygenase) 		5 ILE A 192
ASN A 607
LEU A 116
LEU A 124
PHE A 132
 ZPE  A 703 ( 4.7A)
ZPE  A 703 ( 3.9A)
ZPE  A 703 ( 4.3A)
None
None
 1.32A 6r2eG-5lc8A:
undetectable		 6r2eG-5lc8A:
18.20
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.
5mdx CHLOROPHYLL A-B
BINDING PROTEIN,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00504
(Chloroa_b-bind) 		5 LEU 4  77
ASP 4  84
LEU 4  88
GLY 4  89
PHE 4  94
 CLA  4 302 (-4.1A)
CLA  4 302 (-3.6A)
None
CLA  4 302 ( 4.7A)
None
 1.31A 6r2eG-5mdx4:
undetectable		 6r2eG-5mdx4:
21.43
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) 		10 PHE A 374
ILE A 402
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
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)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.94A 6r2eG-5t0lA:
45.2		 6r2eG-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) 		10 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
 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)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.72A 6r2eG-5t0lA:
45.2		 6r2eG-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.
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)
 1.34A 6r2eG-5tsqA:
undetectable		 6r2eG-5tsqA:
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.
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
 1.17A 6r2eG-5ucyA:
undetectable		 6r2eG-5ucyA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vgm DIHYDROOROTASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 ILE A  29
LEU A 271
ASP A  10
GLY A  34
PHE A  68
 None
 1.31A 6r2eG-5vgmA:
undetectable		 6r2eG-5vgmA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoz TRYPSIN PROTEIN
INHIBITOR 2

(Cicer arietinum) 		no annotation 5 ILE A 117
ASN A 174
LEU A 148
GLY A 149
PHE A 135
 None
 1.25A 6r2eG-5xozA:
undetectable		 6r2eG-5xozA:
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.
6cbl NEAMINE TRANSAMINASE
NEON

(Streptomyces
fradiae) 		no annotation 5 PHE A 153
LEU A 113
LEU A 123
GLY A 149
ASN A 146
 None
 1.35A 6r2eG-6cblA:
undetectable		 6r2eG-6cblA:
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
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.04A 6r2eG-6cdzA:
37.2		 6r2eG-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
LEU A 143
LEU A 172
GLY A 173
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.20A 6r2eG-6cdzA:
37.2		 6r2eG-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.
6ekt P-47 PROTEIN

(Clostridium
botulinum) 		no annotation 5 LEU A 320
GLY A 396
PHE A 397
ASN A 342
MET A 260
 None
 1.29A 6r2eG-6ektA:
undetectable		 6r2eG-6ektA:
21.30
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 653
ASP A 649
GLY A 650
PHE A 651
ASN A 630
 None
 1.31A 6r2eG-6f42A:
undetectable		 6r2eG-6f42A:
undetectable