SIMILAR PATTERNS OF AMINO ACIDS FOR 4PGH_C_SAMC401_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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 SER A  33
GLY A  59
ASP A  83
LEU A  84
ASP A  99
 SAM  A 301 ( 4.6A)
SAM  A 301 (-3.6A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.5A)
 1.20A 4pghC-1eizA:
11.8		 4pghC-1eizA:
18.84
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
ASP A 219
VAL A 223
ASP A 239
MET A 240
LYS A 253
ILE A 255
TRP A 259
 SAH  A1699 (-3.8A)
SAH  A1699 (-2.9A)
None
SAH  A1699 (-3.8A)
SAH  A1699 (-4.0A)
SAH  A1699 (-2.7A)
SAH  A1699 (-4.9A)
None
 0.35A 4pghC-1fp2A:
34.2		 4pghC-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) 		6 GLY A 196
VAL A 224
ASP A 239
MET A 240
LYS A 253
ILE A 255
 SAH  A1699 (-3.8A)
None
SAH  A1699 (-3.8A)
SAH  A1699 (-4.0A)
SAH  A1699 (-2.7A)
SAH  A1699 (-4.9A)
 1.07A 4pghC-1fp2A:
34.2		 4pghC-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) 		8 GLY A 217
ASP A 240
LEU A 241
VAL A 244
ASP A 260
MET A 261
LYS A 274
TRP A 280
 SAM  A1699 (-3.6A)
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-4.7A)
SAM  A1699 (-3.8A)
SAM  A1699 (-3.9A)
SAM  A1699 (-4.4A)
None
 0.55A 4pghC-1fpqA:
28.3		 4pghC-1fpqA:
38.67
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.
1jqg CARBOXYPEPTIDASE A

(Helicoverpa
armigera) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 SER A  39
LEU A  86
VAL A  82
ASP A  90
TRP A  73
 None
 1.44A 4pghC-1jqgA:
undetectable		 4pghC-1jqgA:
23.63
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) 		5 ASP A 231
LEU A 232
VAL A 235
ASP A 251
TRP A 271
 None
 1.40A 4pghC-1kywA:
42.6		 4pghC-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) 		5 GLY A 209
ASP A 231
VAL A 235
LYS A 265
TRP A 266
 None
 1.48A 4pghC-1kywA:
42.6		 4pghC-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) 		10 SER A 184
GLY A 208
ASP A 231
LEU A 232
VAL A 235
ASP A 251
MET A 252
LYS A 265
TRP A 266
ILE A 267
 None
 0.55A 4pghC-1kywA:
42.6		 4pghC-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.
1l6r HYPOTHETICAL PROTEIN
TA0175

(Thermoplasma
acidophilum) 		PF08282
(Hydrolase_3) 		5 GLY A  64
LEU A  40
VAL A   9
TRP A 107
ILE A  46
 None
 1.26A 4pghC-1l6rA:
3.2		 4pghC-1l6rA:
21.95
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.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		5 GLY A 257
LEU A 219
VAL A 215
ILE A 258
TRP A 112
 None
 1.44A 4pghC-1ufvA:
undetectable		 4pghC-1ufvA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w97 TYPE II SECRETION
SYSTEM PROTEIN L

(Vibrio cholerae) 		PF05134
(T2SSL) 		5 LEU L  57
VAL L 135
ASP L  61
ILE L  17
TRP L  38
 None
 1.46A 4pghC-1w97L:
undetectable		 4pghC-1w97L:
20.60
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) 		8 GLY A 207
ASP A 230
VAL A 234
ASP A 250
MET A 251
LYS A 264
TRP A 265
TRP A 270
 SAH  A3994 (-3.9A)
SAH  A3994 (-2.8A)
None
SAH  A3994 (-3.4A)
SAH  A3994 (-3.6A)
SAH  A3994 (-2.7A)
None
None
 0.44A 4pghC-1zgjA:
33.9		 4pghC-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 208
ASP A 230
VAL A 234
LYS A 264
TRP A 265
 SAH  A3994 ( 4.3A)
SAH  A3994 (-2.8A)
None
SAH  A3994 (-2.7A)
None
 1.39A 4pghC-1zgjA:
33.9		 4pghC-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 SER A 183
VAL A 234
MET A 251
TRP A 265
TRP A 270
 None
None
SAH  A3994 (-3.6A)
None
None
 1.05A 4pghC-1zgjA:
33.9		 4pghC-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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 SER A 768
GLY A 832
LEU A 816
MET A 873
ILE A 848
 None
 1.23A 4pghC-2b5mA:
undetectable		 4pghC-2b5mA:
16.73
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 175
ASP A 198
ASP A 225
MET A 226
ILE A 242
 None
 0.44A 4pghC-2ip2A:
30.3		 4pghC-2ip2A:
27.47
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.
2jk0 L-ASPARAGINASE

(Pectobacterium
carotovorum) 		PF00710
(Asparaginase) 		5 SER A 299
LEU A 156
VAL A 154
ASP A 130
MET A 121
 None
None
None
None
ASP  A1328 ( 4.3A)
 1.48A 4pghC-2jk0A:
undetectable		 4pghC-2jk0A:
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 SER A   4
GLY A  30
ASP A  62
LEU A  63
ASP A  79
 SAM  A 201 ( 4.8A)
SAM  A 201 (-3.5A)
SAM  A 201 (-2.8A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.3A)
 1.30A 4pghC-2nyuA:
12.1		 4pghC-2nyuA:
19.83
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.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 GLY A  66
ASP A  88
VAL A  93
ASP A 113
LYS A 130
 SAH  A 301 (-3.8A)
SAH  A 301 (-2.9A)
None
SAH  A 301 (-3.1A)
SAH  A 301 (-2.6A)
 1.08A 4pghC-2pxxA:
15.3		 4pghC-2pxxA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 201
ASP A 224
VAL A 228
ASP A 244
MET A 245
LYS A 258
TRP A 264
 SAH  A 601 (-3.7A)
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)
None
 0.29A 4pghC-2qyoA:
35.4		 4pghC-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) 		5 GLY A 201
VAL A 229
ASP A 244
MET A 245
LYS A 258
 SAH  A 601 (-3.7A)
None
SAH  A 601 (-3.5A)
SAH  A 601 (-3.9A)
SAH  A 601 (-2.6A)
 1.09A 4pghC-2qyoA:
35.4		 4pghC-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.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		5 GLY A 316
ASP A 334
LEU A 335
ASP A 346
MET A 347
 SAH  A 900 (-3.5A)
SAH  A 900 (-2.7A)
SAH  A 900 (-4.2A)
SAH  A 900 (-3.6A)
SAH  A 900 (-3.6A)
 0.58A 4pghC-2zfuA:
11.2		 4pghC-2zfuA:
21.22
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  40
ASP A  60
ASP A  86
MET A  87
TRP A  22
 None
 1.08A 4pghC-3d2lA:
16.9		 4pghC-3d2lA:
24.10
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 SER A  20
GLY A  46
ASP A  67
LEU A  68
ASP A  83
 SAM  A   1 ( 4.5A)
SAM  A   1 (-3.5A)
SAM  A   1 (-2.7A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.6A)
 1.12A 4pghC-3douA:
11.7		 4pghC-3douA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 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
VAL A 217
ASP A 240
LYS A 255
TRP A 261
 SAH  A 350 (-4.1A)
SAH  A 350 ( 4.7A)
SAH  A 350 (-3.4A)
SAH  A 350 (-2.6A)
None
 0.58A 4pghC-3gxoA:
28.9		 4pghC-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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		8 SER A 166
GLY A 189
ASP A 212
VAL A 216
ASP A 237
LYS A 251
ILE A 253
TRP A 257
 SAH  A 346 (-2.9A)
SAH  A 346 (-4.0A)
SAH  A 346 (-3.0A)
None
SAH  A 346 (-3.6A)
SAH  A 346 (-2.7A)
SAH  A 346 (-4.9A)
None
 0.88A 4pghC-3lstA:
30.0		 4pghC-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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 SER A 473
GLY A 507
LEU A 532
VAL A 495
ILE A 568
 None
 1.19A 4pghC-3mosA:
4.2		 4pghC-3mosA:
20.89
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
ASP A 228
LEU A 229
VAL A 232
ASP A 248
MET A 249
LYS A 262
TRP A 263
ILE A 264
TRP A 268
 ACT  A 901 (-2.6A)
SAH  A 401 (-3.8A)
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
None
 0.33A 4pghC-3p9cA:
38.3		 4pghC-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) 		6 SER A 181
GLY A 206
ASP A 228
VAL A 232
LYS A 262
TRP A 263
 ACT  A 901 (-2.6A)
SAH  A 401 ( 4.0A)
SAH  A 401 (-2.9A)
None
SAH  A 401 (-2.6A)
None
 1.17A 4pghC-3p9cA:
38.3		 4pghC-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.
3rhd LACTALDEHYDE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00171
(Aldedh) 		5 SER A 147
LEU A  31
VAL A 204
ASP A  13
ILE A 174
 None
 1.38A 4pghC-3rhdA:
3.5		 4pghC-3rhdA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujk PROTEIN PHOSPHATASE
2C 77

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 SER A 252
GLY A 231
ASP A 307
LEU A 310
VAL A 314
 None
 1.30A 4pghC-3ujkA:
undetectable		 4pghC-3ujkA:
19.78
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 187
ASP A 210
VAL A 214
ASP A 236
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
None
 0.37A 4pghC-4a6eA:
25.5		 4pghC-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.
4by6 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF04054
(Not1) 		5 GLY A1644
LEU A1620
VAL A1616
TRP A1703
ILE A1699
 None
 1.31A 4pghC-4by6A:
undetectable		 4pghC-4by6A:
20.63
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.
4cke MRNA-CAPPING ENZYME
REGULATORY SUBUNIT

(Vaccinia virus) 		PF03341
(Pox_mRNA-cap) 		5 SER B 249
GLY B 164
ASP B 167
LEU B 233
VAL B 237
 None
 1.47A 4pghC-4ckeB:
2.9		 4pghC-4ckeB:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 208
ASP A 231
LEU A 232
VAL A 235
MET A 253
LYS A 267
TRP A 268
TRP A 273
 SAH  A 401 (-3.6A)
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)
None
 0.81A 4pghC-4eviA:
33.2		 4pghC-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) 		5 GLY A 209
ASP A 231
VAL A 235
LYS A 267
TRP A 268
 SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.8A)
SAH  A 401 (-2.4A)
C9M  A 402 ( 3.8A)
 1.34A 4pghC-4eviA:
33.2		 4pghC-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) 		7 SER A 183
GLY A 208
ASP A 231
LEU A 232
MET A 253
LYS A 267
TRP A 273
 SAH  A 401 (-2.4A)
SAH  A 401 (-3.6A)
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.1A)
SAH  A 401 (-2.4A)
None
 0.87A 4pghC-4eviA:
33.2		 4pghC-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) 		5 SER A 183
GLY A 208
VAL A 236
MET A 253
LYS A 267
 SAH  A 401 (-2.4A)
SAH  A 401 (-3.6A)
None
SAH  A 401 (-4.1A)
SAH  A 401 (-2.4A)
 1.26A 4pghC-4eviA:
33.2		 4pghC-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.
4nu2 ANTIFREEZE PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 LEU A 202
VAL A 198
MET A 204
LYS A 165
ILE A 184
 None
 1.45A 4pghC-4nu2A:
undetectable		 4pghC-4nu2A:
22.68
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) 		5 GLY A 207
ASP A 229
VAL A 233
LYS A 263
TRP A 264
 SAM  A 401 ( 3.9A)
SAM  A 401 (-2.6A)
SAM  A 401 ( 4.9A)
SAM  A 401 (-2.4A)
None
 1.26A 4pghC-4pghA:
50.1		 4pghC-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
ASP A 229
LEU A 230
VAL A 233
ASP A 249
MET A 250
LYS A 263
TRP A 264
ILE A 265
TRP A 269
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.8A)
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
None
 0.18A 4pghC-4pghA:
50.1		 4pghC-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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 5 SER A 338
GLY A 274
VAL A 414
ASP A 383
ILE A 273
 None
None
None
CL  A 910 (-4.9A)
None
 1.38A 4pghC-4qnlA:
4.1		 4pghC-4qnlA:
18.65
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.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 SER A 155
GLY A 178
ASP A 201
ASP A 228
TRP A 250
 None
 1.30A 4pghC-4qvgA:
29.3		 4pghC-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.
4wu0 SIMILAR TO YTER
(BACILUS SUBTILIS)

(Clostridium
acetobutylicum) 		PF07470
(Glyco_hydro_88) 		5 GLY A  28
LEU A  19
MET A  54
LYS A  81
ILE A  82
 None
 1.47A 4pghC-4wu0A:
undetectable		 4pghC-4wu0A:
22.27
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 SER A 187
GLY A 490
LEU A 496
TRP A 482
ILE A 489
 None
None
None
1PE  A 803 ( 4.0A)
None
 1.37A 4pghC-4zohA:
undetectable		 4pghC-4zohA:
18.98
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)
 1.37A 4pghC-5cvvA:
39.4		 4pghC-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) 		11 SER A 187
GLY A 211
ASP A 234
LEU A 235
VAL A 238
ASP A 254
MET A 255
LYS A 268
TRP A 269
ILE A 270
TRP A 274
 SAH  A 401 (-2.5A)
SAH  A 401 (-3.8A)
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)
SAH  A 401 ( 4.9A)
None
 0.98A 4pghC-5cvvA:
39.4		 4pghC-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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ASP A 224
VAL A 228
ASP A 251
MET A 252
TRP A 272
 EDO  A 504 (-4.0A)
None
EDO  A 504 (-3.8A)
EDO  A 504 (-3.9A)
None
 0.62A 4pghC-5i2hA:
19.6		 4pghC-5i2hA:
24.43
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.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		5 SER A 441
LEU A 102
VAL A  97
TRP A 502
ILE A 167
 None
 1.30A 4pghC-5j5uA:
undetectable		 4pghC-5j5uA:
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.
5ly9 VARIANT SURFACE
GLYCOPROTEIN MITAT
1.1

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		5 SER A  25
GLY A 103
ASP A 106
LEU A 109
TRP A 246
 None
None
GOL  A 406 (-4.8A)
None
None
 1.20A 4pghC-5ly9A:
undetectable		 4pghC-5ly9A:
21.97
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.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 5 ASP A 269
LEU A 270
VAL A 273
ASP A 292
TRP A 315
 SAM  A 501 (-2.7A)
SAM  A 501 (-4.3A)
SAM  A 501 (-4.8A)
SAM  A 501 (-3.4A)
None
 0.60A 4pghC-5w7pA:
20.6		 4pghC-5w7pA:
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 10 GLY A 203
ASP A 226
LEU A 227
VAL A 230
ASP A 246
MET A 247
LYS A 260
TRP A 261
ILE A 262
TRP A 266
 SAH  A 401 (-3.4A)
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)
None
None
 0.68A 4pghC-5xohA:
38.0		 4pghC-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 204
ASP A 226
VAL A 230
LYS A 260
TRP A 261
 SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
None
SAH  A 401 (-2.8A)
8B6  A 402 (-3.9A)
 1.26A 4pghC-5xohA:
38.0		 4pghC-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
ASP A 226
LEU A 227
ASP A 246
MET A 247
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
SAH  A 401 (-2.8A)
None
None
 0.79A 4pghC-5xohA:
38.0		 4pghC-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 SER A 179
GLY A 203
VAL A 231
ASP A 246
MET A 247
ILE A 262
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
None
 1.12A 4pghC-5xohA:
38.0		 4pghC-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.
5yqw PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio harveyi) 		no annotation 5 SER A 125
GLY A 104
ASP A 101
VAL A  94
MET A 434
 P4G  A 602 (-3.5A)
P4G  A 602 ( 4.2A)
None
None
None
 1.48A 4pghC-5yqwA:
undetectable		 4pghC-5yqwA:
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 5 GLY A 182
ASP A 205
VAL A 209
ASP A 232
TRP A 253
 SAH  A 501 (-4.0A)
SAH  A 501 (-2.9A)
SAH  A 501 ( 4.9A)
SAH  A 501 (-3.5A)
None
 0.31A 4pghC-6c5bA:
26.1		 4pghC-6c5bA:
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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 5 SER A 341
LEU A 213
VAL A 209
ASP A 217
ILE A 276
 None
 1.46A 4pghC-6fyvA:
undetectable		 4pghC-6fyvA:
undetectable