SIMILAR PATTERNS OF AMINO ACIDS FOR 4PGH_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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A 108
GLY A 109
ASP A 112
ASP A 429
ILE A 415
 None
 0.99A 4pghD-1b0kA:
undetectable		 4pghD-1b0kA:
19.05
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.
1bs9 ACETYL XYLAN
ESTERASE

(Talaromyces
purpureogenus) 		PF01083
(Cutinase) 		5 SER A  60
GLY A  93
GLY A  92
THR A  13
LEU A  86
 None
 1.08A 4pghD-1bs9A:
undetectable		 4pghD-1bs9A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A   9
GLY A  10
THR A  18
ASP A  33
ASP A  66
 NAI  A 400 (-3.3A)
None
None
NAI  A 400 (-2.7A)
NAI  A 400 (-3.1A)
 1.15A 4pghD-1ek6A:
4.7		 4pghD-1ek6A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 196
GLY A 197
THR A 202
ASP A 219
ASP A 239
PHE A 241
LYS A 253
ILE A 255
 SAH  A1699 (-3.8A)
SAH  A1699 ( 4.2A)
None
SAH  A1699 (-2.9A)
SAH  A1699 (-3.8A)
SAH  A1699 (-4.8A)
SAH  A1699 (-2.7A)
SAH  A1699 (-4.9A)
 0.89A 4pghD-1fp2A:
34.6		 4pghD-1fp2A:
30.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		9 GLY A 196
GLY A 197
THR A 202
ASP A 219
MET A 240
PHE A 241
LYS A 253
ILE A 255
TRP A 259
 SAH  A1699 (-3.8A)
SAH  A1699 ( 4.2A)
None
SAH  A1699 (-2.9A)
SAH  A1699 (-4.0A)
SAH  A1699 (-4.8A)
SAH  A1699 (-2.7A)
SAH  A1699 (-4.9A)
None
 0.80A 4pghD-1fp2A:
34.6		 4pghD-1fp2A:
30.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 198
THR A 202
ASP A 219
ASP A 239
PHE A 241
LYS A 253
ILE A 255
 SAH  A1699 ( 3.9A)
None
SAH  A1699 (-2.9A)
SAH  A1699 (-3.8A)
SAH  A1699 (-4.8A)
SAH  A1699 (-2.7A)
SAH  A1699 (-4.9A)
 1.38A 4pghD-1fp2A:
34.6		 4pghD-1fp2A:
30.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 198
THR A 202
ASP A 219
MET A 240
PHE A 241
LYS A 253
ILE A 255
TRP A 259
 SAH  A1699 ( 3.9A)
None
SAH  A1699 (-2.9A)
SAH  A1699 (-4.0A)
SAH  A1699 (-4.8A)
SAH  A1699 (-2.7A)
SAH  A1699 (-4.9A)
None
 1.25A 4pghD-1fp2A:
34.6		 4pghD-1fp2A:
30.16
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) 		7 GLY A 217
GLY A 218
ASP A 240
LEU A 241
ASP A 260
PHE A 262
LYS A 274
 SAM  A1699 (-3.6A)
None
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-3.8A)
SAM  A1699 (-4.4A)
SAM  A1699 (-4.4A)
 0.97A 4pghD-1fpqA:
25.1		 4pghD-1fpqA:
38.67
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 218
ASP A 240
LEU A 241
MET A 261
PHE A 262
LYS A 274
TRP A 280
 SAM  A1699 (-3.6A)
None
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-3.9A)
SAM  A1699 (-4.4A)
SAM  A1699 (-4.4A)
None
 0.84A 4pghD-1fpqA:
25.1		 4pghD-1fpqA:
38.67
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) 		6 GLY A 219
ASP A 240
LEU A 241
MET A 261
PHE A 262
TRP A 280
 None
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-3.9A)
SAM  A1699 (-4.4A)
None
 1.05A 4pghD-1fpqA:
25.1		 4pghD-1fpqA:
38.67
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 208
GLY A 209
ASP A 231
LEU A 232
ASP A 251
PHE A 253
LYS A 265
ILE A 267
 None
 0.85A 4pghD-1kywA:
42.6		 4pghD-1kywA:
59.95
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 208
GLY A 209
ASP A 231
LEU A 232
MET A 252
PHE A 253
LYS A 265
ILE A 267
 None
 0.78A 4pghD-1kywA:
42.6		 4pghD-1kywA:
59.95
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) 		6 SER A 184
GLY A 210
ASP A 231
LEU A 232
MET A 252
PHE A 253
 None
 1.46A 4pghD-1kywA:
42.6		 4pghD-1kywA:
59.95
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.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		5 GLY A 190
GLY A 191
LEU A 214
ASP A 240
PHE A 242
 SAM  A 635 (-3.8A)
SAM  A 635 ( 3.2A)
SAM  A 635 (-4.2A)
SAM  A 635 (-3.7A)
SAM  A 635 ( 4.9A)
 0.83A 4pghD-1qzzA:
20.2		 4pghD-1qzzA:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		5 GLY A 190
GLY A 191
LEU A 214
PHE A 242
TRP A 261
 SAM  A 635 (-3.8A)
SAM  A 635 ( 3.2A)
SAM  A 635 (-4.2A)
SAM  A 635 ( 4.9A)
None
 0.63A 4pghD-1qzzA:
20.2		 4pghD-1qzzA:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u8x MALTOSE-6'-PHOSPHATE
GLUCOSIDASE

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY X  13
GLY X  14
ASP X  41
PHE X  77
ILE X  10
 None
NAD  X 900 (-3.4A)
NAD  X 900 (-2.7A)
None
None
 1.15A 4pghD-1u8xX:
2.3		 4pghD-1u8xX:
20.90
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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A 497
GLY A 496
THR A 188
LEU A 502
MET A 588
 None
 1.13A 4pghD-1we5A:
undetectable		 4pghD-1we5A:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x1b CRTF-RELATED PROTEIN

(Chlorobaculum
tepidum) 		PF00891
(Methyltransf_2) 		5 GLY A 177
GLY A 178
LEU A 201
ASP A 227
ILE A 244
 SAH  A4261 (-3.8A)
SAH  A4261 ( 4.2A)
SAH  A4261 (-4.0A)
SAH  A4261 (-2.9A)
None
 0.99A 4pghD-1x1bA:
23.6		 4pghD-1x1bA:
23.71
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.
1xs8 UPF0269 PROTEIN YGGX

(Salmonella
enterica) 		PF04362
(Iron_traffic) 		5 GLY A  27
GLY A  24
LEU A  21
ASP A  18
ILE A  30
 None
 1.09A 4pghD-1xs8A:
undetectable		 4pghD-1xs8A:
15.36
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) 		6 GLY A 207
GLY A 208
ASP A 230
ASP A 250
PHE A 252
LYS A 264
 SAH  A3994 (-3.9A)
SAH  A3994 ( 4.3A)
SAH  A3994 (-2.8A)
SAH  A3994 (-3.4A)
SAH  A3994 (-4.6A)
SAH  A3994 (-2.7A)
 0.92A 4pghD-1zgjA:
32.8		 4pghD-1zgjA:
30.79
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 207
GLY A 208
ASP A 230
MET A 251
PHE A 252
LYS A 264
TRP A 270
 SAH  A3994 (-3.9A)
SAH  A3994 ( 4.3A)
SAH  A3994 (-2.8A)
SAH  A3994 (-3.6A)
SAH  A3994 (-4.6A)
SAH  A3994 (-2.7A)
None
 0.76A 4pghD-1zgjA:
32.8		 4pghD-1zgjA:
30.79
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) 		6 GLY A 207
GLY A 208
THR A 214
ASP A 230
ASP A 250
PHE A 252
 SAH  A3994 (-3.9A)
SAH  A3994 ( 4.3A)
None
SAH  A3994 (-2.8A)
SAH  A3994 (-3.4A)
SAH  A3994 (-4.6A)
 1.47A 4pghD-1zgjA:
32.8		 4pghD-1zgjA:
30.79
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) 		6 GLY A 207
GLY A 208
THR A 214
ASP A 230
MET A 251
PHE A 252
 SAH  A3994 (-3.9A)
SAH  A3994 ( 4.3A)
None
SAH  A3994 (-2.8A)
SAH  A3994 (-3.6A)
SAH  A3994 (-4.6A)
 1.44A 4pghD-1zgjA:
32.8		 4pghD-1zgjA:
30.79
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) 		5 GLY A 209
ASP A 230
MET A 251
PHE A 252
TRP A 270
 SAH  A3994 ( 4.0A)
SAH  A3994 (-2.8A)
SAH  A3994 (-3.6A)
SAH  A3994 (-4.6A)
None
 1.13A 4pghD-1zgjA:
32.8		 4pghD-1zgjA:
30.79
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A 451
GLY A 485
THR A 488
ASP A 484
ILE A 457
 None
 1.14A 4pghD-2g3nA:
undetectable		 4pghD-2g3nA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i3d HYPOTHETICAL PROTEIN
ATU1826

(Agrobacterium
fabrum) 		PF02129
(Peptidase_S15) 		5 SER A  67
GLY A  78
ASP A 138
PHE A 139
ILE A 113
 None
 1.05A 4pghD-2i3dA:
2.5		 4pghD-2i3dA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jay PROTEASOME

(Mycobacterium
tuberculosis) 		PF00227
(Proteasome) 		5 SER A 219
GLY A  68
GLY A  67
ASP A 165
PHE A 133
 None
 1.10A 4pghD-2jayA:
undetectable		 4pghD-2jayA:
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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 201
GLY A 202
THR A 207
ASP A 224
ASP A 244
PHE A 246
LYS A 258
 SAH  A 601 (-3.7A)
SAH  A 601 ( 4.3A)
SAH  A 601 (-4.0A)
SAH  A 601 (-2.9A)
SAH  A 601 (-3.5A)
SAH  A 601 (-4.7A)
SAH  A 601 (-2.6A)
 0.90A 4pghD-2qyoA:
34.4		 4pghD-2qyoA:
28.27
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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 201
GLY A 202
THR A 207
ASP A 224
MET A 245
PHE A 246
LYS A 258
TRP A 264
 SAH  A 601 (-3.7A)
SAH  A 601 ( 4.3A)
SAH  A 601 (-4.0A)
SAH  A 601 (-2.9A)
SAH  A 601 (-3.9A)
SAH  A 601 (-4.7A)
SAH  A 601 (-2.6A)
None
 0.78A 4pghD-2qyoA:
34.4		 4pghD-2qyoA:
28.27
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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 203
THR A 207
ASP A 224
MET A 245
PHE A 246
TRP A 264
 SAH  A 601 ( 3.8A)
SAH  A 601 (-4.0A)
SAH  A 601 (-2.9A)
SAH  A 601 (-3.9A)
SAH  A 601 (-4.7A)
None
 1.40A 4pghD-2qyoA:
34.4		 4pghD-2qyoA:
28.27
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 SER A  55
GLY A  85
GLY A  86
ASP A 108
ASP A 140
 None
MTA  A 315 (-3.2A)
MTA  A 315 (-4.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
 1.15A 4pghD-3anxA:
3.9		 4pghD-3anxA:
21.89
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 199
GLY A 200
ASP A 201
LEU A 170
ILE A 196
 MTA  A 401 (-3.9A)
MTA  A 401 (-3.7A)
SPM  A 501 ( 3.8A)
SPM  A 501 ( 4.3A)
None
 1.08A 4pghD-3c6mA:
12.1		 4pghD-3c6mA:
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.
3ct4 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 LEU A 281
ASP A 277
MET A 275
PHE A 274
ILE A 258
 None
 0.95A 4pghD-3ct4A:
undetectable		 4pghD-3ct4A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cyv UROPORPHYRINOGEN
DECARBOXYLASE

(Shigella
flexneri) 		PF01208
(URO-D) 		5 SER A 223
GLY A 253
GLY A 252
LEU A 269
ASP A 274
 None
 1.13A 4pghD-3cyvA:
undetectable		 4pghD-3cyvA:
21.43
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.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		5 SER A 164
GLY A 187
GLY A 188
ASP A 210
LEU A 211
 None
 1.12A 4pghD-3dp7A:
17.4		 4pghD-3dp7A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3enk UDP-GLUCOSE
4-EPIMERASE

(Burkholderia
pseudomallei) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  11
GLY A  12
THR A  20
ASP A  35
ASP A  62
 NAD  A 341 (-3.4A)
None
None
NAD  A 341 (-2.7A)
NAD  A 341 (-3.6A)
 1.13A 4pghD-3enkA:
6.2		 4pghD-3enkA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 GLY A 190
GLY A 191
ASP A 240
PHE A 242
LYS A 255
 SAH  A 350 (-4.1A)
SAH  A 350 (-3.6A)
SAH  A 350 (-3.4A)
None
SAH  A 350 (-2.6A)
 1.08A 4pghD-3gxoA:
26.3		 4pghD-3gxoA:
26.77
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		6 SER A 167
GLY A 190
GLY A 191
PHE A 242
LYS A 255
TRP A 261
 SAH  A 350 (-3.1A)
SAH  A 350 (-4.1A)
SAH  A 350 (-3.6A)
None
SAH  A 350 (-2.6A)
None
 0.73A 4pghD-3gxoA:
26.3		 4pghD-3gxoA:
26.77
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.
3hb7 ISOCHORISMATASE
HYDROLASE

(Alkaliphilus
metalliredigens) 		PF00857
(Isochorismatase) 		5 GLY A  27
GLY A  26
ASP A  10
MET A  11
ILE A  30
 None
 1.10A 4pghD-3hb7A:
undetectable		 4pghD-3hb7A:
18.43
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.
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL

(Homo sapiens) 		PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C) 		5 GLY A 297
GLY A 296
THR A 228
LEU A 290
PHE A 380
 None
 0.94A 4pghD-3hlkA:
2.5		 4pghD-3hlkA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 GLY A 177
GLY A 178
ASP A 200
LEU A 201
PHE A 229
TRP A 248
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.4A)
SAH  A 401 ( 4.8A)
None
 0.57A 4pghD-3i58A:
21.9		 4pghD-3i58A:
29.29
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		5 GLY A 189
GLY A 190
ASP A 212
ASP A 237
LYS A 251
 SAH  A 346 (-4.0A)
SAH  A 346 (-3.6A)
SAH  A 346 (-3.0A)
SAH  A 346 (-3.6A)
SAH  A 346 (-2.7A)
 0.92A 4pghD-3lstA:
29.4		 4pghD-3lstA:
27.73
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		7 SER A 166
GLY A 189
GLY A 190
ASP A 212
LYS A 251
ILE A 253
TRP A 257
 SAH  A 346 (-2.9A)
SAH  A 346 (-4.0A)
SAH  A 346 (-3.6A)
SAH  A 346 (-3.0A)
SAH  A 346 (-2.7A)
SAH  A 346 (-4.9A)
None
 0.79A 4pghD-3lstA:
29.4		 4pghD-3lstA:
27.73
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		6 SER A 166
GLY A 191
ASP A 212
LYS A 251
ILE A 253
TRP A 257
 SAH  A 346 (-2.9A)
SAH  A 346 ( 3.7A)
SAH  A 346 (-3.0A)
SAH  A 346 (-2.7A)
SAH  A 346 (-4.9A)
None
 1.10A 4pghD-3lstA:
29.4		 4pghD-3lstA:
27.73
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.
3nra ASPARTATE
AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00155
(Aminotran_1_2) 		5 SER A 282
GLY A 262
GLY A 109
LEU A 256
ILE A 106
 None
None
LLP  A 252 ( 3.5A)
None
None
 1.08A 4pghD-3nraA:
undetectable		 4pghD-3nraA:
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.
3oqq PUTATIVE LIPOPROTEIN

(Bacteroides
ovatus) 		PF16129
(DUF4841)
PF16130
(DUF4842) 		5 GLY A 208
GLY A 207
THR A 309
ASP A 170
ILE A 209
 CA  A 457 ( 4.9A)
CA  A 457 (-3.7A)
None
CA  A 458 ( 2.3A)
None
 1.06A 4pghD-3oqqA:
undetectable		 4pghD-3oqqA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3owa ACYL-COA
DEHYDROGENASE

(Bacillus
anthracis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 SER A  64
GLY A 106
GLY A 107
THR A 111
ASP A 397
 None
 1.06A 4pghD-3owaA:
undetectable		 4pghD-3owaA:
21.36
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) 		10 SER A 181
GLY A 205
GLY A 206
THR A 211
ASP A 228
LEU A 229
ASP A 248
PHE A 250
LYS A 262
ILE A 264
 ACT  A 901 (-2.6A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 4.0A)
ACT  A 901 ( 4.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.6A)
SAH  A 401 (-2.6A)
None
 0.80A 4pghD-3p9cA:
44.9		 4pghD-3p9cA:
77.16
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 206
THR A 211
ASP A 228
LEU A 229
MET A 249
PHE A 250
LYS A 262
ILE A 264
TRP A 268
 ACT  A 901 (-2.6A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 4.0A)
ACT  A 901 ( 4.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.7A)
SAH  A 401 (-4.6A)
SAH  A 401 (-2.6A)
None
None
 0.76A 4pghD-3p9cA:
44.9		 4pghD-3p9cA:
77.16
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 207
THR A 211
ASP A 228
LEU A 229
ASP A 248
PHE A 250
ILE A 264
 ACT  A 901 (-2.6A)
SAH  A 401 (-3.6A)
ACT  A 901 ( 4.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.6A)
None
 1.35A 4pghD-3p9cA:
44.9		 4pghD-3p9cA:
77.16
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) 		9 SER A 181
GLY A 207
THR A 211
ASP A 228
LEU A 229
MET A 249
PHE A 250
ILE A 264
TRP A 268
 ACT  A 901 (-2.6A)
SAH  A 401 (-3.6A)
ACT  A 901 ( 4.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.7A)
SAH  A 401 (-4.6A)
None
None
 1.26A 4pghD-3p9cA:
44.9		 4pghD-3p9cA:
77.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLY A 119
GLY A 118
THR A 173
ASP A 163
ILE A 413
 None
 1.15A 4pghD-3szeA:
undetectable		 4pghD-3szeA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4k FIMBRIA ADHESIN
PROTEIN

(Klebsiella
pneumoniae) 		no annotation 5 SER A 175
GLY A 100
THR A 142
LEU A  84
ILE A 135
 None
 1.13A 4pghD-3u4kA:
undetectable		 4pghD-3u4kA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 GLY A 187
GLY A 188
ASP A 210
ASP A 236
PHE A 238
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-2.9A)
SAM  A1349 (-3.5A)
SAM  A1349 (-4.7A)
 0.83A 4pghD-4a6eA:
25.3		 4pghD-4a6eA:
26.22
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 187
GLY A 188
ASP A 210
PHE A 238
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.7A)
None
 0.70A 4pghD-4a6eA:
25.3		 4pghD-4a6eA:
26.22
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.
4bos UBIQUITIN
THIOESTERASE OTU1

(Homo sapiens) 		PF02338
(OTU) 		5 GLY A 221
GLY A 220
THR A 218
ASP A 247
ILE A 223
 None
 1.05A 4pghD-4bosA:
undetectable		 4pghD-4bosA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		9 GLY A 208
GLY A 209
THR A 214
ASP A 231
LEU A 232
MET A 253
PHE A 254
LYS A 267
TRP A 273
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.1A)
SAH  A 401 ( 4.8A)
SAH  A 401 (-2.4A)
None
 0.89A 4pghD-4eviA:
33.4		 4pghD-4eviA:
26.99
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 210
THR A 214
ASP A 231
LEU A 232
MET A 253
PHE A 254
LYS A 267
TRP A 273
 SAH  A 401 ( 3.8A)
None
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.1A)
SAH  A 401 ( 4.8A)
SAH  A 401 (-2.4A)
None
 1.33A 4pghD-4eviA:
33.4		 4pghD-4eviA:
26.99
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		9 SER A 183
GLY A 208
GLY A 209
ASP A 231
LEU A 232
MET A 253
PHE A 254
LYS A 267
TRP A 273
 SAH  A 401 (-2.4A)
SAH  A 401 (-3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.1A)
SAH  A 401 ( 4.8A)
SAH  A 401 (-2.4A)
None
 1.04A 4pghD-4eviA:
33.4		 4pghD-4eviA:
26.99
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 SER A 183
GLY A 210
ASP A 231
LEU A 232
MET A 253
PHE A 254
LYS A 267
TRP A 273
 SAH  A 401 (-2.4A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.1A)
SAH  A 401 ( 4.8A)
SAH  A 401 (-2.4A)
None
 1.39A 4pghD-4eviA:
33.4		 4pghD-4eviA:
26.99
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.
4ge0 UNCHARACTERIZED
PROTEIN C22E12.03C

(Schizosaccharomyces
pombe) 		PF01965
(DJ-1_PfpI) 		5 SER A 132
GLY A  78
GLY A  79
LEU A  86
ILE A 110
 None
 1.15A 4pghD-4ge0A:
2.9		 4pghD-4ge0A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxt A CONSERVED
FUNCTIONALLY UNKNOWN
PROTEIN

(Anaerococcus
prevotii) 		PF12710
(HAD) 		5 GLY A 316
GLY A 315
ASP A 321
ASP A 319
ILE A 337
 None
 1.15A 4pghD-4gxtA:
undetectable		 4pghD-4gxtA:
21.10
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  53
THR B  58
ASP B  73
LEU B  74
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.8A)
None
SAM  B 301 (-3.1A)
SAM  B 301 (-4.2A)
 1.01A 4pghD-4htfB:
4.4		 4pghD-4htfB:
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.
4hvt POST-PROLINE
CLEAVING ENZYME

(Rickettsia
typhi) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 657
THR A 672
ASP A 645
PHE A 601
ILE A 659
 None
 1.04A 4pghD-4hvtA:
undetectable		 4pghD-4hvtA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k35 GLYCOSIDE HYDROLASE
FAMILY 81
ENDO-BETA-1,3-GLUCAN
ASE

(Rhizomucor
miehei) 		PF03639
(Glyco_hydro_81) 		5 GLY A 270
GLY A 269
ASP A 135
PHE A   9
ILE A 286
 None
 1.06A 4pghD-4k35A:
undetectable		 4pghD-4k35A:
17.03
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 206
GLY A 207
THR A 212
ASP A 229
LEU A 230
ASP A 249
PHE A 251
LYS A 263
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.8A)
SAM  A 401 ( 3.9A)
SAM  A 401 (-4.1A)
SAM  A 401 (-2.6A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.2A)
SAM  A 401 ( 4.8A)
SAM  A 401 (-2.4A)
 0.79A 4pghD-4pghA:
38.4		 4pghD-4pghA:
100.00
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 207
THR A 212
ASP A 229
LEU A 230
MET A 250
PHE A 251
LYS A 263
ILE A 265
TRP A 269
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.8A)
SAM  A 401 ( 3.9A)
SAM  A 401 (-4.1A)
SAM  A 401 (-2.6A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.7A)
SAM  A 401 ( 4.8A)
SAM  A 401 (-2.4A)
None
None
 0.64A 4pghD-4pghA:
38.4		 4pghD-4pghA:
100.00
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) 		7 SER A 181
GLY A 208
THR A 212
ASP A 229
LEU A 230
ASP A 249
PHE A 251
 SAM  A 401 (-3.6A)
SAM  A 401 ( 4.1A)
SAM  A 401 (-4.1A)
SAM  A 401 (-2.6A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.2A)
SAM  A 401 ( 4.8A)
 1.40A 4pghD-4pghA:
38.4		 4pghD-4pghA:
100.00
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) 		8 SER A 181
GLY A 208
THR A 212
ASP A 229
LEU A 230
MET A 250
PHE A 251
TRP A 269
 SAM  A 401 (-3.6A)
SAM  A 401 ( 4.1A)
SAM  A 401 (-4.1A)
SAM  A 401 (-2.6A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.7A)
SAM  A 401 ( 4.8A)
None
 1.24A 4pghD-4pghA:
38.4		 4pghD-4pghA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 178
GLY A 179
ASP A 201
ASP A 228
PHE A 230
 None
 1.07A 4pghD-4qvgA:
28.4		 4pghD-4qvgA:
27.27
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.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 178
GLY A 179
ASP A 201
PHE A 230
TRP A 250
 None
 0.63A 4pghD-4qvgA:
28.4		 4pghD-4qvgA:
27.27
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.
4rih GLYCOSYL TRANSFERASE
HOMOLOG,GLYCOSYL
TRANSFERASE

(Streptomyces
fradiae;
Streptomyces
cyanogenus) 		PF06722
(DUF1205) 		5 GLY A 285
GLY A 286
THR A 138
PHE A 229
ILE A 301
 3R2  A 401 (-3.3A)
3R2  A 401 (-3.4A)
None
None
None
 1.02A 4pghD-4rihA:
2.9		 4pghD-4rihA:
23.96
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.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		5 GLY A 376
THR A 353
ASP A 375
ASP A 445
ILE A 391
 None
 1.06A 4pghD-5bxpA:
undetectable		 4pghD-5bxpA:
19.57
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 211
GLY A 212
ASP A 234
LEU A 235
ASP A 254
PHE A 256
LYS A 268
 SAH  A 401 (-3.8A)
SAH  A 401 ( 4.2A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.5A)
SAH  A 401 (-4.5A)
SAH  A 401 (-3.0A)
 1.07A 4pghD-5cvvA:
39.4		 4pghD-5cvvA:
54.25
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) 		9 SER A 187
GLY A 211
GLY A 212
ASP A 234
LEU A 235
PHE A 256
LYS A 268
ILE A 270
TRP A 274
 SAH  A 401 (-2.5A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 4.2A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-4.5A)
SAH  A 401 (-3.0A)
SAH  A 401 ( 4.9A)
None
 0.93A 4pghD-5cvvA:
39.4		 4pghD-5cvvA:
54.25
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) 		9 SER A 187
GLY A 211
GLY A 212
ASP A 234
MET A 255
PHE A 256
LYS A 268
ILE A 270
TRP A 274
 SAH  A 401 (-2.5A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 4.2A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.5A)
SAH  A 401 (-3.0A)
SAH  A 401 ( 4.9A)
None
 1.02A 4pghD-5cvvA:
39.4		 4pghD-5cvvA:
54.25
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
ASP A 234
LEU A 235
PHE A 256
ILE A 270
TRP A 274
 SAH  A 401 (-2.5A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-4.5A)
SAH  A 401 ( 4.9A)
None
 1.30A 4pghD-5cvvA:
39.4		 4pghD-5cvvA:
54.25
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
ASP A 234
MET A 255
PHE A 256
ILE A 270
TRP A 274
 SAH  A 401 (-2.5A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.5A)
SAH  A 401 ( 4.9A)
None
 1.33A 4pghD-5cvvA:
39.4		 4pghD-5cvvA:
54.25
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 SER A1609
GLY A1347
GLY A1348
THR A1332
ASP A1321
 None
 1.15A 4pghD-5i8iA:
undetectable		 4pghD-5i8iA:
12.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5icg (S)-NORCOCLAURINE
6-O-METHYLTRANSFERAS
E

(Thalictrum
flavum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 195
GLY A 196
ASP A 218
ILE A 254
TRP A 258
 None
 0.85A 4pghD-5icgA:
31.1		 4pghD-5icgA:
36.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5icg (S)-NORCOCLAURINE
6-O-METHYLTRANSFERAS
E

(Thalictrum
flavum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 195
GLY A 196
ASP A 218
LYS A 252
ILE A 254
 None
 1.00A 4pghD-5icgA:
31.1		 4pghD-5icgA:
36.24
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.
5mps PRE-MRNA-PROCESSING
FACTOR 17

(Saccharomyces
cerevisiae) 		PF00249
(Myb_DNA-binding) 		5 GLY o 181
GLY o 182
THR o 165
LYS o 210
TRP o 233
 None
 0.78A 4pghD-5mpso:
undetectable		 4pghD-5mpso:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 5 GLY A 369
GLY A 148
THR A 359
ASP A 149
ILE A 364
 None
 1.11A 4pghD-5o6vA:
undetectable		 4pghD-5o6vA:
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 8 SER A 179
GLY A 203
GLY A 204
ASP A 226
LEU A 227
ASP A 246
PHE A 248
LYS A 260
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
SAH  A 401 (-2.8A)
 1.18A 4pghD-5xohA:
37.9		 4pghD-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 9 SER A 179
GLY A 203
GLY A 204
ASP A 226
LEU A 227
PHE A 248
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-2.8A)
None
None
 1.00A 4pghD-5xohA:
37.9		 4pghD-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 9 SER A 179
GLY A 203
GLY A 204
ASP A 226
MET A 247
PHE A 248
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-3.8A)
None
SAH  A 401 (-2.8A)
None
None
 1.08A 4pghD-5xohA:
37.9		 4pghD-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 8 SER A 179
GLY A 203
GLY A 204
THR A 209
ASP A 226
LEU A 227
ASP A 246
PHE A 248
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
 0.92A 4pghD-5xohA:
37.9		 4pghD-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 9 SER A 179
GLY A 203
GLY A 204
THR A 209
ASP A 226
LEU A 227
PHE A 248
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
None
None
 0.82A 4pghD-5xohA:
37.9		 4pghD-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 9 SER A 179
GLY A 203
GLY A 204
THR A 209
ASP A 226
MET A 247
PHE A 248
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-3.8A)
None
None
None
 0.92A 4pghD-5xohA:
37.9		 4pghD-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 8 SER A 179
GLY A 205
ASP A 226
LEU A 227
PHE A 248
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-2.8A)
None
None
 1.39A 4pghD-5xohA:
37.9		 4pghD-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 8 SER A 179
GLY A 205
ASP A 226
MET A 247
PHE A 248
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-3.8A)
None
SAH  A 401 (-2.8A)
None
None
 1.42A 4pghD-5xohA:
37.9		 4pghD-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 7 SER A 179
GLY A 205
THR A 209
ASP A 226
LEU A 227
ASP A 246
PHE A 248
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
 1.46A 4pghD-5xohA:
37.9		 4pghD-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 8 SER A 179
GLY A 205
THR A 209
ASP A 226
LEU A 227
PHE A 248
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
None
None
 1.34A 4pghD-5xohA:
37.9		 4pghD-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 8 SER A 179
GLY A 205
THR A 209
ASP A 226
MET A 247
PHE A 248
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-3.8A)
None
None
None
 1.38A 4pghD-5xohA:
37.9		 4pghD-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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 SER A1610
GLY A1958
GLY A1957
MET A1853
ILE A1983
 None
 1.10A 4pghD-5y29A:
undetectable		 4pghD-5y29A:
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 5 GLY A 130
LEU A 161
ASP A 157
PHE A 154
ILE A 126
 None
 1.04A 4pghD-6avoA:
undetectable		 4pghD-6avoA:
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.
6b7j 3-HYDROXYDECANOYL-[A
CYL-CARRIER-PROTEIN]
DEHYDRATASE

(Vibrio cholerae) 		no annotation 5 SER A  16
GLY A  92
LEU A 161
ASP A 145
ILE A  55
 None
 1.08A 4pghD-6b7jA:
undetectable		 4pghD-6b7jA:
21.57
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 SER A 222
GLY A 256
LEU A  88
PHE A 211
ILE A 230
 None
 1.14A 4pghD-6bq6A:
10.5		 4pghD-6bq6A:
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.
6dux 6-PHOSPHO-ALPHA-GLUC
OSIDASE

(Klebsiella
pneumoniae) 		no annotation 5 GLY A  11
GLY A  12
ASP A  39
PHE A  75
ILE A   8
 None
NAD  A 501 (-3.2A)
NAD  A 501 (-2.8A)
None
None
 1.12A 4pghD-6duxA:
undetectable		 4pghD-6duxA:
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 GLY C 913
GLY C 915
THR C 958
MET C 869
ILE C 896
 None
 1.14A 4pghD-6en4C:
undetectable		 4pghD-6en4C:
undetectable