SIMILAR PATTERNS OF AMINO ACIDS FOR 6I5Z_D_SAMD401_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.
1a0j TRYPSIN

(Salmo salar) 		PF00089
(Trypsin) 		5 SER A  37
GLY A 197
GLY A  44
LEU A 209
ASP A 102
 None
 1.18A 6i5zD-1a0jA:
undetectable		 6i5zD-1a0jA:
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.
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 SER A 971
GLY A 593
GLY A 590
ASP A 594
ASP A  96
 None
 1.28A 6i5zD-1f4hA:
undetectable		 6i5zD-1f4hA:
16.43
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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 196
GLY A 198
ASP A 219
VAL A 223
ASP A 239
MET A 240
LYS A 253
 SAH  A1699 (-3.8A)
SAH  A1699 ( 3.9A)
SAH  A1699 (-2.9A)
None
SAH  A1699 (-3.8A)
SAH  A1699 (-4.0A)
SAH  A1699 (-2.7A)
 0.44A 6i5zD-1fp2A:
27.0		 6i5zD-1fp2A:
28.78
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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 SER A 172
GLY A 198
ASP A 219
VAL A 223
ASP A 239
 None
SAH  A1699 ( 3.9A)
SAH  A1699 (-2.9A)
None
SAH  A1699 (-3.8A)
 0.86A 6i5zD-1fp2A:
27.0		 6i5zD-1fp2A:
28.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 217
GLY A 219
ASP A 240
LEU A 241
VAL A 244
ASP A 260
MET A 261
LYS A 274
 SAM  A1699 (-3.6A)
None
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-4.7A)
SAM  A1699 (-3.8A)
SAM  A1699 (-3.9A)
SAM  A1699 (-4.4A)
 0.66A 6i5zD-1fpqA:
25.0		 6i5zD-1fpqA:
39.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 218
ASP A 240
LEU A 241
ASP A 260
MET A 261
 None
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-3.8A)
SAM  A1699 (-3.9A)
 0.95A 6i5zD-1fpqA:
25.0		 6i5zD-1fpqA:
39.44
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.
1hsk UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Staphylococcus
aureus) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 SER A  82
GLY A 116
GLY A 145
LEU A 200
VAL A 199
 FAD  A 401 (-2.4A)
None
FAD  A 401 ( 3.7A)
None
FAD  A 401 (-3.9A)
 1.20A 6i5zD-1hskA:
undetectable		 6i5zD-1hskA:
22.25
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.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		5 GLY A 220
GLY A  34
ASP A 218
VAL A 216
ASP A  86
 None
 1.11A 6i5zD-1j71A:
undetectable		 6i5zD-1j71A:
23.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		11 SER A 184
GLY A 208
GLY A 210
ASP A 231
LEU A 232
VAL A 235
ASP A 251
MET A 252
LYS A 265
TRP A 266
ASP A 270
 None
 0.91A 6i5zD-1kywA:
33.7		 6i5zD-1kywA:
41.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		9 SER A 184
GLY A 209
ASP A 231
LEU A 232
ASP A 251
MET A 252
LYS A 265
TRP A 266
ASP A 270
 None
 0.99A 6i5zD-1kywA:
33.7		 6i5zD-1kywA:
41.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 557
GLY A 555
VAL A 543
MET A 438
ASP A 303
 None
None
None
None
CA  A 702 (-3.4A)
 1.13A 6i5zD-1lrwA:
undetectable		 6i5zD-1lrwA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mkb BETA-HYDROXYDECANOYL
THIOL ESTER
DEHYDRASE

(Escherichia
coli) 		PF07977
(FabA) 		5 SER A  15
GLY A  91
LEU A 160
VAL A 162
ASP A 144
 None
 1.26A 6i5zD-1mkbA:
undetectable		 6i5zD-1mkbA:
19.35
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.
1mpy CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase) 		5 GLY A 269
GLY A 251
LEU A 225
ASP A 224
ASP A 152
 None
 1.15A 6i5zD-1mpyA:
undetectable		 6i5zD-1mpyA:
22.25
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 SER A 203
GLY A 124
GLY A 114
ASP A  62
VAL A  97
 None
 1.18A 6i5zD-1p9eA:
undetectable		 6i5zD-1p9eA:
21.73
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.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 GLY A 347
GLY A 349
LEU A 316
VAL A 322
ASP A  45
 PO4  A 401 ( 3.9A)
None
None
None
GLA  A 400 (-2.8A)
 1.09A 6i5zD-1pieA:
undetectable		 6i5zD-1pieA:
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 557
GLY A 555
VAL A 543
MET A 438
ASP A 303
 None
None
None
None
PQQ  A1596 (-3.9A)
 1.09A 6i5zD-1w6sA:
undetectable		 6i5zD-1w6sA:
19.08
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.
1wuu GALACTOKINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 GLY A 345
GLY A 347
LEU A 314
VAL A 320
ASP A  46
 ANP  A 395 (-3.5A)
None
None
None
GLA  A 393 (-3.0A)
 1.24A 6i5zD-1wuuA:
undetectable		 6i5zD-1wuuA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyd HYPOTHETICAL
ASPARTYL-TRNA
SYNTHETASE

(Sulfurisphaera
tokodaii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLY A 398
GLY A 396
LEU A 242
VAL A 238
ASP A 345
 None
 1.21A 6i5zD-1wydA:
undetectable		 6i5zD-1wydA:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		9 GLY A 207
GLY A 209
ASP A 230
VAL A 234
ASP A 250
MET A 251
LYS A 264
TRP A 265
ASP A 269
 SAH  A3994 (-3.9A)
SAH  A3994 ( 4.0A)
SAH  A3994 (-2.8A)
None
SAH  A3994 (-3.4A)
SAH  A3994 (-3.6A)
SAH  A3994 (-2.7A)
None
None
 0.85A 6i5zD-1zgjA:
24.9		 6i5zD-1zgjA:
30.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 208
ASP A 230
ASP A 250
MET A 251
LYS A 264
TRP A 265
ASP A 269
 SAH  A3994 ( 4.3A)
SAH  A3994 (-2.8A)
SAH  A3994 (-3.4A)
SAH  A3994 (-3.6A)
SAH  A3994 (-2.7A)
None
None
 0.84A 6i5zD-1zgjA:
24.9		 6i5zD-1zgjA:
30.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		9 SER A 183
GLY A 207
GLY A 209
ASP A 230
VAL A 234
ASP A 250
MET A 251
TRP A 265
ASP A 269
 None
SAH  A3994 (-3.9A)
SAH  A3994 ( 4.0A)
SAH  A3994 (-2.8A)
None
SAH  A3994 (-3.4A)
SAH  A3994 (-3.6A)
None
None
 0.99A 6i5zD-1zgjA:
24.9		 6i5zD-1zgjA:
30.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 SER A 183
GLY A 208
ASP A 230
ASP A 250
MET A 251
TRP A 265
ASP A 269
 None
SAH  A3994 ( 4.3A)
SAH  A3994 (-2.8A)
SAH  A3994 (-3.4A)
SAH  A3994 (-3.6A)
None
None
 1.23A 6i5zD-1zgjA:
24.9		 6i5zD-1zgjA:
30.20
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.
2aj4 GALACTOKINASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 SER A 171
GLY A 469
GLY A 467
ASP A 449
LYS A 266
 ANP  A 532 (-3.1A)
None
GLA  A 529 ( 4.2A)
None
ANP  A 532 ( 3.1A)
 1.27A 6i5zD-2aj4A:
undetectable		 6i5zD-2aj4A:
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 557
GLY A 555
VAL A 543
MET A 438
ASP A 303
 None
None
None
None
CA  A 775 ( 3.4A)
 1.07A 6i5zD-2d0vA:
undetectable		 6i5zD-2d0vA:
19.24
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		5 SER A 183
GLY A  99
GLY A 101
ASP A  83
VAL A 127
 None
 1.22A 6i5zD-2eq5A:
undetectable		 6i5zD-2eq5A:
20.99
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 SER A 495
GLY A  52
GLY A 126
ASP A  44
ASP A 265
 None
 1.22A 6i5zD-2fknA:
5.0		 6i5zD-2fknA:
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.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		5 GLY A 357
GLY A 359
ASP A 356
LEU A 352
VAL A 361
 None
 1.28A 6i5zD-2i4cA:
undetectable		 6i5zD-2i4cA:
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		6 GLY A 175
GLY A 177
ASP A 198
ASP A 225
MET A 226
ASP A 245
 None
 0.56A 6i5zD-2ip2A:
28.7		 6i5zD-2ip2A:
25.19
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 176
ASP A 198
ASP A 225
MET A 226
ASP A 245
 None
 1.07A 6i5zD-2ip2A:
28.7		 6i5zD-2ip2A:
25.19
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.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		6 GLY A  66
GLY A  68
ASP A  88
VAL A  93
ASP A 113
LYS A 130
 SAH  A 301 (-3.8A)
SAH  A 301 ( 3.2A)
SAH  A 301 (-2.9A)
None
SAH  A 301 (-3.1A)
SAH  A 301 (-2.6A)
 1.16A 6i5zD-2pxxA:
13.4		 6i5zD-2pxxA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 SER A  63
GLY A 241
GLY A 394
ASP A 392
ASP A 389
 None
PPY  A5003 (-4.3A)
PPY  A5003 (-3.5A)
None
None
 1.14A 6i5zD-2q5oA:
undetectable		 6i5zD-2q5oA:
21.15
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLY A  84
GLY A  86
ASP A 110
VAL A 115
ASP A 135
 SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-2.7A)
MPD  A 403 ( 4.6A)
SAM  A 400 (-3.4A)
 1.21A 6i5zD-2qe6A:
12.6		 6i5zD-2qe6A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qi9 VITAMIN B12 IMPORT
SYSTEM PERMEASE
PROTEIN BTUC

(Escherichia
coli) 		PF01032
(FecCD) 		5 SER A 205
GLY A  67
GLY A 283
LEU A 288
ASP A 291
 None
 1.25A 6i5zD-2qi9A:
undetectable		 6i5zD-2qi9A:
21.04
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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 201
GLY A 203
ASP A 224
VAL A 228
ASP A 244
MET A 245
LYS A 258
ASP A 263
 SAH  A 601 (-3.7A)
SAH  A 601 ( 3.8A)
SAH  A 601 (-2.9A)
SAH  A 601 ( 4.9A)
SAH  A 601 (-3.5A)
SAH  A 601 (-3.9A)
SAH  A 601 (-2.6A)
QSO  A 701 (-3.9A)
 0.51A 6i5zD-2qyoA:
32.0		 6i5zD-2qyoA:
29.83
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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 202
ASP A 224
ASP A 244
MET A 245
LYS A 258
ASP A 263
 SAH  A 601 ( 4.3A)
SAH  A 601 (-2.9A)
SAH  A 601 (-3.5A)
SAH  A 601 (-3.9A)
SAH  A 601 (-2.6A)
QSO  A 701 (-3.9A)
 0.91A 6i5zD-2qyoA:
32.0		 6i5zD-2qyoA:
29.83
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 SER A 224
GLY A  34
GLY A 220
ASP A  32
ASP A  37
 None
 0.95A 6i5zD-2qzxA:
undetectable		 6i5zD-2qzxA:
22.58
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.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 SER A  57
GLY A  82
GLY A  84
LEU A 106
ASP A 132
 SAM  A1248 ( 4.7A)
SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-4.1A)
SAM  A1248 (-3.6A)
 0.81A 6i5zD-2wa2A:
7.7		 6i5zD-2wa2A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wym L-ASCORBATE-6-PHOSPH
ATE LACTONASE ULAG

(Escherichia
coli) 		PF13483
(Lactamase_B_3) 		5 GLY A  47
GLY A  44
LEU A 102
VAL A 101
ASP A 124
 None
 1.24A 6i5zD-2wymA:
undetectable		 6i5zD-2wymA:
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
GLY A  73
ASP A  99
LEU A 100
ASP A 114
 SAH  A1293 (-3.8A)
SAH  A1293 (-4.1A)
SAH  A1293 (-2.7A)
SAH  A1293 (-4.3A)
SAH  A1293 (-3.7A)
 0.84A 6i5zD-2xyqA:
6.2		 6i5zD-2xyqA:
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.
2y6c MATRILYSIN

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 SER A 111
GLY A 193
GLY A 188
LEU A 191
ASP A 170
 None
CA  A1264 ( 4.5A)
None
None
ZN  A1266 ( 2.4A)
 1.29A 6i5zD-2y6cA:
undetectable		 6i5zD-2y6cA:
17.00
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 SER A 638
LEU A 582
VAL A 565
ASP A 587
LYS A 599
 None
 1.27A 6i5zD-2yd0A:
undetectable		 6i5zD-2yd0A:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		6 GLY A 316
GLY A 318
ASP A 334
LEU A 335
ASP A 346
MET A 347
 SAH  A 900 (-3.5A)
SAH  A 900 ( 3.7A)
SAH  A 900 (-2.7A)
SAH  A 900 (-4.2A)
SAH  A 900 (-3.6A)
SAH  A 900 (-3.6A)
 0.50A 6i5zD-2zfuA:
10.1		 6i5zD-2zfuA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  40
GLY A  42
ASP A  60
ASP A  86
MET A  87
 None
 0.75A 6i5zD-3d2lA:
14.4		 6i5zD-3d2lA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  40
GLY A  42
ASP A  86
MET A  87
TRP A  22
 None
 1.26A 6i5zD-3d2lA:
14.4		 6i5zD-3d2lA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		5 GLY A  54
GLY A  56
ASP A  76
LEU A  77
MET A 105
 None
 0.92A 6i5zD-3f4kA:
11.5		 6i5zD-3f4kA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 232
GLY A 164
GLY A 159
LEU A 193
VAL A 190
 None
 1.19A 6i5zD-3gazA:
5.7		 6i5zD-3gazA:
25.23
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		5 SER A  59
GLY A  81
GLY A  83
LEU A 105
ASP A 131
 SAM  A4633 ( 4.9A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-4.0A)
SAM  A4633 (-3.7A)
 1.07A 6i5zD-3gczA:
6.4		 6i5zD-3gczA:
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.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		5 GLY A  85
GLY A  87
ASP A 111
VAL A 116
ASP A 138
 SAH  A 277 (-3.4A)
SAH  A 277 (-3.1A)
SAH  A 277 (-2.7A)
None
SAH  A 277 (-3.5A)
 1.07A 6i5zD-3go4A:
11.7		 6i5zD-3go4A:
22.28
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		6 GLY A 190
GLY A 192
VAL A 217
ASP A 240
LYS A 255
ASP A 260
 SAH  A 350 (-4.1A)
SAH  A 350 (-3.6A)
SAH  A 350 ( 4.7A)
SAH  A 350 (-3.4A)
SAH  A 350 (-2.6A)
MQA  A 351 (-2.8A)
 0.57A 6i5zD-3gxoA:
29.2		 6i5zD-3gxoA:
27.56
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 GLY A 177
GLY A 179
ASP A 200
LEU A 201
ASP A 247
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.4A)
SAH  A 401 (-4.6A)
 0.36A 6i5zD-3i58A:
23.6		 6i5zD-3i58A:
26.60
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.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF08241
(Methyltransf_11) 		5 GLY A  39
GLY A  41
ASP A  60
ASP A  81
ASP A 101
 None
 1.09A 6i5zD-3i9fA:
12.9		 6i5zD-3i9fA:
17.35
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN
ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		PF01960
(ArgJ)
PF01960
(ArgJ) 		5 SER B 248
GLY A  15
GLY A 185
LEU B 271
VAL B 267
 None
 1.21A 6i5zD-3it4B:
undetectable		 6i5zD-3it4B:
18.86
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		6 GLY A 189
GLY A 191
ASP A 212
VAL A 216
ASP A 237
LYS A 251
 SAH  A 346 (-4.0A)
SAH  A 346 ( 3.7A)
SAH  A 346 (-3.0A)
None
SAH  A 346 (-3.6A)
SAH  A 346 (-2.7A)
 0.55A 6i5zD-3lstA:
29.7		 6i5zD-3lstA:
27.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		5 SER A 166
GLY A 189
GLY A 191
ASP A 212
LYS A 251
 SAH  A 346 (-2.9A)
SAH  A 346 (-4.0A)
SAH  A 346 ( 3.7A)
SAH  A 346 (-3.0A)
SAH  A 346 (-2.7A)
 1.02A 6i5zD-3lstA:
29.7		 6i5zD-3lstA:
27.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mcx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A 438
GLY A 436
ASP A  70
VAL A  76
ASP A 443
 None
 1.19A 6i5zD-3mcxA:
undetectable		 6i5zD-3mcxA:
23.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		11 SER A 181
GLY A 205
GLY A 207
ASP A 228
LEU A 229
VAL A 232
ASP A 248
MET A 249
LYS A 262
TRP A 263
ASP A 267
 ACT  A 901 (-2.6A)
SAH  A 401 (-3.8A)
SAH  A 401 (-3.6A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.6A)
SAH  A 401 (-3.7A)
SAH  A 401 (-2.6A)
None
None
 0.62A 6i5zD-3p9cA:
34.1		 6i5zD-3p9cA:
39.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 SER A 181
GLY A 206
ASP A 228
LEU A 229
ASP A 248
MET A 249
TRP A 263
ASP A 267
 ACT  A 901 (-2.6A)
SAH  A 401 ( 4.0A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.7A)
None
None
 0.99A 6i5zD-3p9cA:
34.1		 6i5zD-3p9cA:
39.95
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
GLY A  73
ASP A  99
LEU A 100
ASP A 114
 SAM  A 302 (-3.7A)
SAM  A 302 (-4.1A)
SAM  A 302 (-2.6A)
SAM  A 302 (-4.4A)
SAM  A 302 (-3.4A)
 0.85A 6i5zD-3r24A:
6.4		 6i5zD-3r24A:
23.75
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.
3soz CYTOPLASMIC PROTEIN
STM1381

(Salmonella
enterica) 		PF07090
(GATase1_like) 		5 GLY A 109
GLY A 208
LEU A 111
VAL A 210
ASP A 103
 None
 1.11A 6i5zD-3sozA:
undetectable		 6i5zD-3sozA:
20.85
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.
3tx1 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Listeria
monocytogenes) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 SER A  64
GLY A  98
GLY A 127
LEU A 182
VAL A 181
 FAD  A 299 (-2.7A)
None
FAD  A 299 (-3.2A)
None
FAD  A 299 (-3.8A)
 1.20A 6i5zD-3tx1A:
undetectable		 6i5zD-3tx1A:
23.61
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.
3v3k CASPASE-9
PUTATIVE
UNCHARACTERIZED
PROTEIN ECS1815

(Homo sapiens;
Escherichia
coli) 		PF00656
(Peptidase_C14)
PF16809
(NleF_casp_inhib) 		5 SER B 147
GLY A 245
GLY A 248
ASP A 247
MET A 211
 None
 1.14A 6i5zD-3v3kB:
undetectable		 6i5zD-3v3kB:
19.90
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		6 GLY A 187
GLY A 189
ASP A 210
VAL A 214
ASP A 236
ASP A 256
 SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
ASE  A1350 ( 2.9A)
 0.57A 6i5zD-4a6eA:
25.5		 6i5zD-4a6eA:
27.99
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 GLY A 548
GLY A 546
VAL A 534
MET A 431
ASP A 297
 None
None
None
None
CA  A 702 (-3.6A)
 1.16A 6i5zD-4aahA:
undetectable		 6i5zD-4aahA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 208
GLY A 210
ASP A 231
ASP A 256
LYS A 267
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-2.9A)
None
SAH  A 401 (-2.4A)
 1.20A 6i5zD-4eviA:
30.8		 6i5zD-4eviA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		9 GLY A 208
GLY A 210
ASP A 231
LEU A 232
VAL A 235
MET A 253
LYS A 267
TRP A 268
ASP A 272
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.8A)
SAH  A 401 (-4.1A)
SAH  A 401 (-2.4A)
C9M  A 402 ( 3.8A)
C9M  A 402 ( 2.3A)
 0.75A 6i5zD-4eviA:
30.8		 6i5zD-4eviA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 209
ASP A 231
LEU A 232
MET A 253
TRP A 268
ASP A 272
 SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.1A)
C9M  A 402 ( 3.8A)
C9M  A 402 ( 2.3A)
 1.28A 6i5zD-4eviA:
30.8		 6i5zD-4eviA:
31.23
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.
4eyz CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES

(Ruminococcus
flavefaciens) 		no annotation 5 GLY A 223
GLY A 185
LEU A 182
ASP A 226
ASP A 191
 None
 1.27A 6i5zD-4eyzA:
undetectable		 6i5zD-4eyzA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY H 635
GLY H 470
LEU H 479
VAL H 478
ASP H 532
 None
 1.26A 6i5zD-4fxgH:
undetectable		 6i5zD-4fxgH:
22.94
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.
4ix3 MSSTT7D PROTEIN

(Micromonas
commoda) 		PF00069
(Pkinase) 		5 GLY A 420
GLY A 414
LEU A 408
VAL A 412
ASP A 427
 None
 1.21A 6i5zD-4ix3A:
undetectable		 6i5zD-4ix3A:
22.20
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.
4m0h CONSERVED
HYPOTHETICAL
PROTEIN, PUTATIVE
ANTI-SIGMA FACTOR

(Parabacteroides
distasonis) 		PF04773
(FecR)
PF16344
(DUF4974) 		5 GLY A 171
GLY A 151
LEU A 148
VAL A 130
MET A 169
 None
 1.27A 6i5zD-4m0hA:
undetectable		 6i5zD-4m0hA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 GLY A 120
GLY A 122
ASP A 141
LEU A 142
VAL A 145
 SAH  A1001 (-3.6A)
SAH  A1001 (-3.2A)
SAH  A1001 (-2.8A)
SAH  A1001 (-4.2A)
None
 0.45A 6i5zD-4mtlA:
6.0		 6i5zD-4mtlA:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		11 SER A 181
GLY A 206
GLY A 208
ASP A 229
LEU A 230
VAL A 233
ASP A 249
MET A 250
LYS A 263
TRP A 264
ASP A 268
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.8A)
SAM  A 401 ( 4.1A)
SAM  A 401 (-2.6A)
SAM  A 401 (-4.3A)
SAM  A 401 ( 4.9A)
SAM  A 401 (-3.2A)
SAM  A 401 (-3.7A)
SAM  A 401 (-2.4A)
None
None
 0.66A 6i5zD-4pghA:
33.3		 6i5zD-4pghA:
39.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		9 SER A 181
GLY A 207
ASP A 229
LEU A 230
ASP A 249
MET A 250
LYS A 263
TRP A 264
ASP A 268
 SAM  A 401 (-3.6A)
SAM  A 401 ( 3.9A)
SAM  A 401 (-2.6A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.2A)
SAM  A 401 (-3.7A)
SAM  A 401 (-2.4A)
None
None
 0.98A 6i5zD-4pghA:
33.3		 6i5zD-4pghA:
39.19
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 GLY B  55
GLY B  57
ASP B  77
ASP B  99
MET B 100
 SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
SAM  B 301 (-4.2A)
 0.60A 6i5zD-4qtuB:
13.0		 6i5zD-4qtuB:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 SER A 155
GLY A 178
GLY A 180
ASP A 201
ASP A 228
 None
 1.07A 6i5zD-4qvgA:
28.4		 6i5zD-4qvgA:
23.13
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 GLY B 578
GLY B 576
VAL B 564
MET B 465
ASP B 331
 None
None
None
None
CA  B 701 ( 3.1A)
 1.09A 6i5zD-4tqoB:
undetectable		 6i5zD-4tqoB:
20.24
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.
4wji PUTATIVE
CYCLOHEXADIENYL
DEHYDROGENASE AND
ADH PREPHENATE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02153
(PDH) 		5 SER A 189
GLY A 122
GLY A  99
ASP A  97
VAL A 105
 TYR  A 302 ( 3.8A)
None
NAP  A 301 (-3.4A)
None
None
 1.26A 6i5zD-4wjiA:
4.3		 6i5zD-4wjiA:
22.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		10 GLY A 211
GLY A 213
ASP A 234
LEU A 235
VAL A 238
ASP A 254
MET A 255
LYS A 268
TRP A 269
ASP A 273
 SAH  A 401 (-3.8A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.5A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.0A)
N7I  A 402 (-4.3A)
N7I  A 402 ( 2.7A)
 0.77A 6i5zD-5cvvA:
36.8		 6i5zD-5cvvA:
40.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 212
ASP A 234
LEU A 235
ASP A 254
MET A 255
TRP A 269
ASP A 273
 SAH  A 401 ( 4.2A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.6A)
N7I  A 402 (-4.3A)
N7I  A 402 ( 2.7A)
 1.20A 6i5zD-5cvvA:
36.8		 6i5zD-5cvvA:
40.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 212
ASP A 234
LEU A 235
VAL A 238
LYS A 268
TRP A 269
 SAH  A 401 ( 4.2A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.0A)
N7I  A 402 (-4.3A)
 1.48A 6i5zD-5cvvA:
36.8		 6i5zD-5cvvA:
40.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 SER A 187
GLY A 213
LEU A 235
VAL A 238
MET A 255
LYS A 268
ASP A 273
 SAH  A 401 (-2.5A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.6A)
SAH  A 401 (-3.0A)
N7I  A 402 ( 2.7A)
 0.91A 6i5zD-5cvvA:
36.8		 6i5zD-5cvvA:
40.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3v ADENYLOSUCCINATE
LYASE

(Salmonella
enterica) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 GLY A 351
GLY A 349
LEU A 316
VAL A 320
ASP A  13
 None
 1.26A 6i5zD-5e3vA:
undetectable		 6i5zD-5e3vA:
23.15
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
ASP A  66
LEU A  67
ASP A  94
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.5A)
 0.78A 6i5zD-5epeA:
9.6		 6i5zD-5epeA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		6 SER A 146
GLY A 179
GLY A 181
ASP A 202
ASP A 229
ASP A 250
 SAH  A 400 (-3.0A)
SAH  A 400 (-4.0A)
SAH  A 400 (-3.4A)
SAH  A 400 (-1.6A)
SAH  A 400 (-4.1A)
None
 0.83A 6i5zD-5f8eA:
23.5		 6i5zD-5f8eA:
23.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 SER A 169
GLY A  91
GLY A  81
ASP A  29
VAL A  64
 None
 1.18A 6i5zD-5hifA:
undetectable		 6i5zD-5hifA:
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 202
ASP A 224
ASP A 251
MET A 252
ASP A 271
 None
EDO  A 504 (-4.0A)
EDO  A 504 (-3.8A)
EDO  A 504 (-3.9A)
AGI  A 501 (-2.4A)
 0.98A 6i5zD-5i2hA:
16.7		 6i5zD-5i2hA:
26.90
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		6 GLY A 203
ASP A 224
VAL A 228
ASP A 251
MET A 252
ASP A 271
 None
EDO  A 504 (-4.0A)
None
EDO  A 504 (-3.8A)
EDO  A 504 (-3.9A)
AGI  A 501 (-2.4A)
 0.61A 6i5zD-5i2hA:
16.7		 6i5zD-5i2hA:
26.90
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.
5jzx UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 SER A  70
GLY A 103
GLY A 132
LEU A 193
VAL A 192
 FAD  A 401 (-2.4A)
None
FAD  A 401 ( 4.0A)
None
FAD  A 401 (-3.7A)
 1.22A 6i5zD-5jzxA:
undetectable		 6i5zD-5jzxA:
22.35
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 GLY A   9
GLY A  11
ASP A  33
LEU A  34
ASP A  61
 None
 0.86A 6i5zD-5o3zA:
6.8		 6i5zD-5o3zA:
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.
5olt -

(-) 		no annotation 5 SER A 531
GLY A 444
ASP A 249
LEU A 447
ASP A 450
 None
 1.18A 6i5zD-5oltA:
undetectable		 6i5zD-5oltA:
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
GLY A 599
ASP A 579
LEU A 603
TRP A 659
 None
 1.26A 6i5zD-5t9gA:
undetectable		 6i5zD-5t9gA:
18.95
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.
5tu9 ACCUMULATION
ASSOCIATED PROTEIN
AAP G58-SPACER-G513
(VARIANT
G5-SPACER-CONSENSUS
G5)

(Staphylococcus
epidermidis) 		PF07501
(G5)
PF17041
(SasG_E) 		5 GLY A  78
GLY A  27
LEU A  24
ASP A  23
ASP A 111
 None
 1.21A 6i5zD-5tu9A:
undetectable		 6i5zD-5tu9A:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
ASP A  82
VAL A  87
ASP A 107
 SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.9A)
None
SAH  A 701 (-3.2A)
 0.75A 6i5zD-5wp4A:
13.1		 6i5zD-5wp4A:
23.90
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
ASP A  82
VAL A  87
TRP A 127
 SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.9A)
None
PC  A 704 ( 3.4A)
 0.73A 6i5zD-5wp4A:
13.1		 6i5zD-5wp4A:
23.90
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.
5x5h CYSTATHIONINE
BETA-LYASES/CYSTATHI
ONINE
GAMMA-SYNTHASES

(Corynebacterium
glutamicum) 		PF01053
(Cys_Met_Meta_PP) 		5 SER A 184
GLY A 250
GLY A 207
LEU A 246
VAL A 212
 None
 1.28A 6i5zD-5x5hA:
undetectable		 6i5zD-5x5hA:
25.85
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.
5xmi VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF04212
(MIT) 		5 SER A 335
GLY A 173
LEU A 170
ASP A 283
ASP A 232
 None
 1.25A 6i5zD-5xmiA:
undetectable		 6i5zD-5xmiA:
24.61
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 9 GLY A 203
GLY A 205
ASP A 226
LEU A 227
VAL A 230
ASP A 246
MET A 247
LYS A 260
TRP A 261
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
SAH  A 401 (-2.8A)
8B6  A 402 (-3.9A)
 0.58A 6i5zD-5xohA:
34.3		 6i5zD-5xohA:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 5 GLY A 203
GLY A 205
VAL A 231
ASP A 246
MET A 247
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
 1.28A 6i5zD-5xohA:
34.3		 6i5zD-5xohA:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 6 GLY A 204
ASP A 226
LEU A 227
ASP A 246
MET A 247
TRP A 261
 SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
8B6  A 402 (-3.9A)
 1.11A 6i5zD-5xohA:
34.3		 6i5zD-5xohA:
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.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 6 GLY A 182
GLY A 184
ASP A 205
VAL A 209
ASP A 232
ASP A 252
 SAH  A 501 (-4.0A)
SAH  A 501 (-3.3A)
SAH  A 501 (-2.9A)
SAH  A 501 ( 4.9A)
SAH  A 501 (-3.5A)
SAH  A 501 (-4.0A)
 0.53A 6i5zD-6c5bA:
25.6		 6i5zD-6c5bA:
undetectable