SIMILAR PATTERNS OF AMINO ACIDS FOR 4PGH_B_SAMB401

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.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		5 ASP A 316
GLY A 318
ASP A 287
LYS A 351
ILE A 322
 None
 1.39A 4pghB-13pkA:
undetectable		 4pghB-13pkA:
23.53
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.
1azz COLLAGENASE

(Leptuca
pugilator) 		PF00089
(Trypsin) 		5 GLY A 197
THR A 190
LEU A  33
ILE A 212
ASP A 102
 None
 1.28A 4pghB-1azzA:
undetectable		 4pghB-1azzA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dot DUCK OVOTRANSFERRIN

(Anas
platyrhynchos) 		PF00405
(Transferrin) 		5 SER A 674
THR A 401
ASP A 395
ASP A 634
LYS A 378
 None
None
CO3  A 690 (-3.6A)
None
None
 1.33A 4pghB-1dotA:
undetectable		 4pghB-1dotA:
20.37
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 ASP A 194
GLY A 196
THR A 202
ASP A 219
ASP A 239
MET A 240
LYS A 253
ILE A 255
TRP A 259
 SAH  A1699 ( 4.6A)
SAH  A1699 (-3.8A)
None
SAH  A1699 (-2.9A)
SAH  A1699 (-3.8A)
SAH  A1699 (-4.0A)
SAH  A1699 (-2.7A)
SAH  A1699 (-4.9A)
None
 0.57A 4pghB-1fp2A:
35.0		 4pghB-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 ASP A 215
GLY A 217
ASP A 240
LEU A 241
ASP A 260
MET A 261
TRP A 280
 None
SAM  A1699 (-3.6A)
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-3.8A)
SAM  A1699 (-3.9A)
None
 0.46A 4pghB-1fpqA:
12.5		 4pghB-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) 		7 GLY A 217
ASP A 240
LEU A 241
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 (-3.8A)
SAM  A1699 (-3.9A)
SAM  A1699 (-4.4A)
None
 0.59A 4pghB-1fpqA:
12.5		 4pghB-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) 		5 ASP A 231
LEU A 232
ASP A 251
ASP A 270
TRP A 271
 None
 1.38A 4pghB-1kywA:
43.2		 4pghB-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
ASP A 206
GLY A 208
ASP A 231
LEU A 232
ASP A 251
MET A 252
LYS A 265
ILE A 267
ASP A 270
 None
 0.53A 4pghB-1kywA:
43.2		 4pghB-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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 ASP A  42
GLY A  44
ASP A  66
ASP A  94
TRP A 114
 None
 0.99A 4pghB-1nkvA:
12.6		 4pghB-1nkvA:
18.63
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.
1ppr PERIDININ-CHLOROPHYL
L PROTEIN

(Amphidinium
carterae) 		PF02429
(PCP) 		5 SER M 174
GLY M 255
ASP M 218
ILE M 166
ASP M 164
 None
 1.36A 4pghB-1pprM:
undetectable		 4pghB-1pprM:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP A 188
GLY A 190
LEU A 214
ASP A 240
TRP A 261
 ACT  A 421 (-2.8A)
SAM  A 635 (-3.8A)
SAM  A 635 (-4.2A)
SAM  A 635 (-3.7A)
None
 0.61A 4pghB-1qzzA:
19.8		 4pghB-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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  17
THR A  26
ASP A  41
LEU A  42
ASP A  64
 NA  A 302 (-3.6A)
None
None
None
None
 1.42A 4pghB-1so8A:
6.8		 4pghB-1so8A:
22.99
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 SER A  82
ASP A 134
GLY A 135
ASP A 137
LEU A 140
 None
ADN  A 502 (-3.1A)
None
None
None
 1.42A 4pghB-1v8bA:
2.1		 4pghB-1v8bA:
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.
1x1b CRTF-RELATED PROTEIN

(Chlorobaculum
tepidum) 		PF00891
(Methyltransf_2) 		5 ASP A 175
GLY A 177
LEU A 201
ASP A 227
ILE A 244
 None
SAH  A4261 (-3.8A)
SAH  A4261 (-4.0A)
SAH  A4261 (-2.9A)
None
 0.65A 4pghB-1x1bA:
18.1		 4pghB-1x1bA:
23.71
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 ASP A 205
GLY A 207
ASP A 230
ASP A 250
MET A 251
LYS A 264
ASP A 269
TRP A 270
 SAH  A3994 ( 4.6A)
SAH  A3994 (-3.9A)
SAH  A3994 (-2.8A)
SAH  A3994 (-3.4A)
SAH  A3994 (-3.6A)
SAH  A3994 (-2.7A)
None
None
 0.54A 4pghB-1zgjA:
32.1		 4pghB-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
 1.19A 4pghB-2b5mA:
undetectable		 4pghB-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.
2d39 FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 SER A 181
ASP A 163
GLY A 164
LEU A 291
MET A 294
 None
 1.42A 4pghB-2d39A:
undetectable		 4pghB-2d39A:
20.33
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.
2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		5 ASP A  58
GLY A  60
THR A  70
ASP A 100
LEU A 101
 SAH  A 501 ( 4.7A)
SAH  A 501 (-3.8A)
None
SAH  A 501 (-3.0A)
SAH  A 501 ( 4.4A)
 0.99A 4pghB-2efjA:
13.7		 4pghB-2efjA:
21.90
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.
2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		5 ASP A  58
GLY A  60
THR A  70
ASP A 100
TRP A 161
 SAH  A 501 ( 4.7A)
SAH  A 501 (-3.8A)
None
SAH  A 501 (-3.0A)
37T  A 502 (-4.0A)
 1.23A 4pghB-2efjA:
13.7		 4pghB-2efjA:
21.90
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.
2eg5 XANTHOSINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		5 ASP A  59
GLY A  61
THR A  71
ASP A 101
LEU A 102
 SAH  A 501 ( 4.6A)
SAH  A 501 (-3.8A)
None
SAH  A 501 (-2.9A)
SAH  A 501 (-4.4A)
 0.97A 4pghB-2eg5A:
12.9		 4pghB-2eg5A:
22.31
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		7 ASP A 173
GLY A 175
ASP A 198
ASP A 225
MET A 226
ILE A 242
ASP A 245
 None
 0.61A 4pghB-2ip2A:
11.3		 4pghB-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.
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 4pghB-2nyuA:
9.3		 4pghB-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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		6 SER A   6
ASP A  28
GLY A  30
ASP A  62
LEU A  63
ASP A  79
 SAM  A 201 (-2.5A)
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)
 0.77A 4pghB-2nyuA:
9.3		 4pghB-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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		5 SER A  57
ASP A  80
GLY A  82
LEU A 106
ASP A 132
 SAM  A 300 (-2.6A)
SAM  A 300 ( 4.6A)
SAM  A 300 (-3.3A)
SAM  A 300 (-4.2A)
SAM  A 300 (-3.9A)
 1.11A 4pghB-2oxtA:
8.2		 4pghB-2oxtA:
21.56
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 ASP A  82
GLY A  84
THR A  93
ASP A 110
ASP A 135
 None
SAM  A 400 (-3.4A)
None
SAM  A 400 (-2.7A)
SAM  A 400 (-3.4A)
 1.18A 4pghB-2qe6A:
12.5		 4pghB-2qe6A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 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) 		9 ASP A 199
GLY A 201
THR A 207
ASP A 224
ASP A 244
MET A 245
LYS A 258
ASP A 263
TRP A 264
 SAH  A 601 ( 4.6A)
SAH  A 601 (-3.7A)
SAH  A 601 (-4.0A)
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)
None
 0.52A 4pghB-2qyoA:
28.7		 4pghB-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) 		6 ASP A 314
GLY A 316
ASP A 334
LEU A 335
ASP A 346
MET A 347
 SAH  A 900 ( 4.6A)
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)
 0.65A 4pghB-2zfuA:
10.5		 4pghB-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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 5 SER A 431
GLY A 361
THR A 395
LEU A 306
ASP A 401
 None
None
None
None
CA  A 629 (-2.5A)
 1.38A 4pghB-2zuxA:
undetectable		 4pghB-2zuxA:
21.61
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 SER A  55
ASP A 158
GLY A  85
ASP A 108
ASP A 140
 None
MTA  A 315 (-4.9A)
MTA  A 315 (-3.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
 1.39A 4pghB-3anxA:
10.6		 4pghB-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.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		5 ASP A  48
GLY A  50
ASP A  72
LEU A  73
ASP A  96
 None
 0.88A 4pghB-3bkwA:
15.1		 4pghB-3bkwA:
21.76
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 ASP A  38
GLY A  40
ASP A  60
ASP A  86
MET A  87
 None
 0.71A 4pghB-3d2lA:
16.5		 4pghB-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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 ASP A  38
GLY A  40
ASP A  60
LEU A  61
MET A  87
 None
 1.03A 4pghB-3d2lA:
16.5		 4pghB-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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 ASP A  38
GLY A  40
ASP A  86
MET A  87
ILE A 101
 None
 1.11A 4pghB-3d2lA:
16.5		 4pghB-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)
 1.24A 4pghB-3douA:
10.9		 4pghB-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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		5 SER A  65
GLY A 269
THR A 118
ASP A 111
ILE A 272
 ZN  A 602 (-3.5A)
None
MG  A 603 (-3.0A)
None
None
 1.36A 4pghB-3e2dA:
undetectable		 4pghB-3e2dA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		5 SER A  56
ASP A  79
GLY A  81
LEU A 105
ASP A 131
 SAH  A 901 (-2.6A)
SAH  A 901 ( 4.9A)
SAH  A 901 (-3.4A)
SAH  A 901 (-4.0A)
SAH  A 901 (-3.7A)
 1.17A 4pghB-3evcA:
8.0		 4pghB-3evcA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		5 ASP A  52
GLY A  54
THR A  61
ASP A  76
MET A 105
 None
 1.34A 4pghB-3f4kA:
4.1		 4pghB-3f4kA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fm0 PROTEIN CIAO1

(Homo sapiens) 		PF00400
(WD40) 		5 ASP A 273
GLY A 272
ASP A 305
ASP A 214
TRP A 198
 None
 1.18A 4pghB-3fm0A:
undetectable		 4pghB-3fm0A:
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		5 SER A  56
ASP A  79
GLY A  81
LEU A 105
ASP A 131
 SAM  A4633 (-2.7A)
None
SAM  A4633 (-3.4A)
SAM  A4633 (-4.0A)
SAM  A4633 (-3.7A)
 1.13A 4pghB-3gczA:
8.3		 4pghB-3gczA:
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 SER A  90
ASP A 139
GLY A 140
ASP A 142
LEU A 145
 None
RAB  A 602 (-3.0A)
None
None
None
 1.35A 4pghB-3glqA:
2.8		 4pghB-3glqA:
22.99
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.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		5 ASP A  83
GLY A  85
ASP A 111
ASP A 138
ILE A 168
 SAH  A 277 ( 4.7A)
SAH  A 277 (-3.4A)
SAH  A 277 (-2.7A)
SAH  A 277 (-3.5A)
SAH  A 277 (-4.0A)
 0.96A 4pghB-3go4A:
12.7		 4pghB-3go4A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		5 ASP A  83
GLY A  85
ASP A 138
MET A 139
ILE A 168
 SAH  A 277 ( 4.7A)
SAH  A 277 (-3.4A)
SAH  A 277 (-3.5A)
None
SAH  A 277 (-4.0A)
 1.20A 4pghB-3go4A:
12.7		 4pghB-3go4A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		7 SER A 167
ASP A 188
GLY A 190
ASP A 240
LYS A 255
ASP A 260
TRP A 261
 SAH  A 350 (-3.1A)
SAH  A 350 ( 4.9A)
SAH  A 350 (-4.1A)
SAH  A 350 (-3.4A)
SAH  A 350 (-2.6A)
MQA  A 351 (-2.8A)
None
 0.63A 4pghB-3gxoA:
30.6		 4pghB-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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		6 ASP A 175
GLY A 177
ASP A 200
LEU A 201
ASP A 247
TRP A 248
 SAH  A 401 ( 4.2A)
SAH  A 401 (-3.9A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.4A)
SAH  A 401 (-4.6A)
None
 0.52A 4pghB-3i58A:
8.3		 4pghB-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.
3i6e MUCONATE
CYCLOISOMERASE I

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 312
THR A 319
LEU A 359
ILE A 274
ASP A 111
 None
 1.27A 4pghB-3i6eA:
2.1		 4pghB-3i6eA:
22.14
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.
3kkz UNCHARACTERIZED
PROTEIN Q5LES9

(Bacteroides
fragilis) 		PF13649
(Methyltransf_25) 		5 ASP A  52
GLY A  54
THR A  61
ASP A  76
MET A 105
 None
SAM  A 301 (-3.7A)
None
SAM  A 301 (-2.8A)
SAM  A 301 (-4.5A)
 1.38A 4pghB-3kkzA:
13.1		 4pghB-3kkzA:
20.84
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.
3lpm PUTATIVE
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF05175
(MTS) 		5 SER A  44
ASP A  55
THR A 124
LEU A  97
ILE A  62
 None
 1.37A 4pghB-3lpmA:
11.8		 4pghB-3lpmA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 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
ASP A 187
GLY A 189
ASP A 212
ASP A 237
LYS A 251
ILE A 253
TRP A 257
 SAH  A 346 (-2.9A)
SAH  A 346 ( 4.5A)
SAH  A 346 (-4.0A)
SAH  A 346 (-3.0A)
SAH  A 346 (-3.6A)
SAH  A 346 (-2.7A)
SAH  A 346 (-4.9A)
None
 0.77A 4pghB-3lstA:
14.3		 4pghB-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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASP A 193
GLY A 197
LEU A 237
ASP A 380
ILE A 366
 None
None
None
SO4  A 488 (-3.8A)
None
 1.42A 4pghB-3nv9A:
undetectable		 4pghB-3nv9A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 393
MET A 357
ILE A 389
ASP A 376
TRP A 378
 None
 1.17A 4pghB-3oneA:
2.8		 4pghB-3oneA:
22.65
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) 		12 SER A 181
ASP A 203
GLY A 205
THR A 211
ASP A 228
LEU A 229
ASP A 248
MET A 249
LYS A 262
ILE A 264
ASP A 267
TRP A 268
 ACT  A 901 (-2.6A)
SAH  A 401 ( 4.5A)
SAH  A 401 (-3.8A)
ACT  A 901 ( 4.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.7A)
SAH  A 401 (-2.6A)
None
None
None
 0.54A 4pghB-3p9cA:
45.7		 4pghB-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) 		5 SER A 181
GLY A 206
ASP A 228
LYS A 262
ILE A 264
 ACT  A 901 (-2.6A)
SAH  A 401 ( 4.0A)
SAH  A 401 (-2.9A)
SAH  A 401 (-2.6A)
None
 1.26A 4pghB-3p9cA:
45.7		 4pghB-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.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE

(Encephalitozoon
cuniculi) 		PF05175
(MTS) 		5 ASP B  29
GLY B  31
ASP B  51
LEU B  52
ASP B  69
 SAM  B 300 ( 4.7A)
SAM  B 300 (-3.5A)
SAM  B 300 (-2.9A)
SAM  B 300 (-3.9A)
SAM  B 300 (-3.7A)
 0.90A 4pghB-3q87B:
11.5		 4pghB-3q87B:
18.01
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A 197
GLY A 100
THR A  36
ASP A  80
ILE A 109
 None
None
FAD  A 773 (-3.1A)
None
None
 1.21A 4pghB-3redA:
undetectable		 4pghB-3redA:
23.03
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 SER A 287
ASP A 254
GLY A 320
THR A 259
ASP A 356
 None
 1.29A 4pghB-3sutA:
undetectable		 4pghB-3sutA:
22.14
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.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		5 ASP A  52
GLY A  54
THR A  61
ASP A  76
MET A 105
 None
SAM  A 300 (-3.7A)
None
SAM  A 300 (-2.8A)
SAM  A 300 (-4.1A)
 1.40A 4pghB-3t7sA:
13.1		 4pghB-3t7sA:
19.95
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.
3tzq SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		no annotation 5 GLY B  14
THR B  23
ASP B  38
LEU B  39
ASP B  61
 None
 1.07A 4pghB-3tzqB:
6.4		 4pghB-3tzqB:
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.
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
 1.11A 4pghB-3u4kA:
undetectable		 4pghB-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.
3umg HALOACID
DEHALOGENASE

(Rhodococcus
jostii) 		PF00702
(Hydrolase) 		5 ASP A 163
GLY A 161
THR A  77
LEU A 137
TRP A 156
 None
 1.29A 4pghB-3umgA:
2.1		 4pghB-3umgA:
23.36
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.
3zbi TRAF PROTEIN
TRAO PROTEIN

(Escherichia
coli;
Escherichia
coli) 		PF03743
(TrbI)
PF03524
(CagX) 		5 GLY A 897
THR A 816
ASP A 894
LEU A 739
ILE B1034
 None
 1.23A 4pghB-3zbiA:
undetectable		 4pghB-3zbiA:
22.10
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		6 ASP A 185
GLY A 187
ASP A 210
ASP A 236
ASP A 256
TRP A 257
 SAM  A1349 ( 4.6A)
SAM  A1349 (-3.6A)
SAM  A1349 (-2.9A)
SAM  A1349 (-3.5A)
ASE  A1350 ( 2.9A)
None
 0.55A 4pghB-4a6eA:
25.6		 4pghB-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.
4cr6 N-ACYLMANNOSAMINE
1-DEHYDROGENASE

(Flavobacterium
sp. 141-8) 		PF13561
(adh_short_C2) 		5 GLY A  22
THR A  31
ASP A  46
LEU A  47
ASP A  67
 None
 0.99A 4pghB-4cr6A:
7.1		 4pghB-4cr6A:
23.10
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.
4d7k SAM-DEPENDENT
METHYLTRANSFERASES

(Streptomyces
davaonensis) 		PF00891
(Methyltransf_2) 		5 ASP A 184
GLY A 186
ASP A 209
ASP A 236
TRP A 257
 None
 1.39A 4pghB-4d7kA:
23.8		 4pghB-4d7kA:
25.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		9 ASP A 206
GLY A 208
THR A 214
ASP A 231
LEU A 232
MET A 253
LYS A 267
ASP A 272
TRP A 273
 None
SAH  A 401 (-3.6A)
None
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.1A)
SAH  A 401 (-2.4A)
C9M  A 402 ( 2.3A)
None
 0.67A 4pghB-4eviA:
34.0		 4pghB-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
ASP A 206
GLY A 208
ASP A 231
LEU A 232
MET A 253
LYS A 267
ASP A 272
TRP A 273
 SAH  A 401 (-2.4A)
None
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)
C9M  A 402 ( 2.3A)
None
 0.86A 4pghB-4eviA:
34.0		 4pghB-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.
4fo1 LINCOSAMIDE
RESISTANCE PROTEIN

(Staphylococcus
haemolyticus) 		PF10706
(Aminoglyc_resit) 		5 ASP A  34
GLY A  30
THR A  37
ASP A  90
ASP A 150
 None
 1.28A 4pghB-4fo1A:
undetectable		 4pghB-4fo1A:
16.77
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 ASP B  50
GLY B  52
THR B  58
ASP B  73
LEU B  74
 SAM  B 301 ( 4.7A)
SAM  B 301 (-3.5A)
None
SAM  B 301 (-3.1A)
SAM  B 301 (-4.2A)
 0.95A 4pghB-4htfB:
14.8		 4pghB-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.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 SER A 140
ASP A 164
GLY A 166
ASP A 189
ASP A 217
 SAH  A 401 ( 3.8A)
SAH  A 401 ( 4.6A)
SAH  A 401 (-3.4A)
SAH  A 401 (-2.7A)
SAH  A 401 ( 3.7A)
 0.84A 4pghB-4m73A:
15.8		 4pghB-4m73A:
23.39
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.
4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Plesiocystis
pacifica) 		PF13561
(adh_short_C2) 		5 GLY A  19
THR A  28
ASP A  43
LEU A  44
ASP A  69
 NAD  A 301 (-3.2A)
None
NAD  A 301 (-2.4A)
NAD  A 301 (-4.3A)
NAD  A 301 (-3.0A)
 1.19A 4pghB-4nbwA:
6.1		 4pghB-4nbwA:
20.91
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) 		12 SER A 181
ASP A 204
GLY A 206
THR A 212
ASP A 229
LEU A 230
ASP A 249
MET A 250
LYS A 263
ILE A 265
ASP A 268
TRP A 269
 SAM  A 401 (-3.6A)
SAM  A 401 ( 4.3A)
SAM  A 401 (-3.8A)
SAM  A 401 (-4.1A)
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
None
 0.34A 4pghB-4pghA:
49.1		 4pghB-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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 ASP B  53
GLY B  55
ASP B  77
ASP B  99
MET B 100
 SAM  B 301 ( 4.6A)
SAM  B 301 (-3.7A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
SAM  B 301 (-4.2A)
 0.44A 4pghB-4qtuB:
14.4		 4pghB-4qtuB:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP A 176
GLY A 178
ASP A 201
ASP A 228
TRP A 250
 None
 0.50A 4pghB-4qvgA:
28.0		 4pghB-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.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		5 ASP A 245
GLY A 266
ASP A 263
ASP A  20
MET A  21
 None
 1.37A 4pghB-4qwvA:
2.1		 4pghB-4qwvA:
21.99
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		5 SER A 160
ASP A 254
GLY A 251
ASP A 250
ASP A 124
 None
NA  A1648 ( 3.8A)
NA  A1648 ( 4.6A)
None
P6G  A1649 ( 4.2A)
 1.06A 4pghB-4uirA:
2.5		 4pghB-4uirA:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		5 SER A  36
GLY A  85
ASP A 157
MET A 163
ASP A 115
 None
 1.40A 4pghB-4v2iA:
3.0		 4pghB-4v2iA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 GLY A  12
THR A  21
ASP A  36
LEU A  37
ASP A  57
 NAD  A 300 (-3.5A)
None
NAD  A 300 (-2.7A)
NAD  A 300 (-4.2A)
NAD  A 300 (-3.5A)
 1.21A 4pghB-4xgnA:
5.5		 4pghB-4xgnA:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z2y CALO6

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ASP A 181
GLY A 183
ASP A 206
ASP A 233
ASP A 253
 None
 1.06A 4pghB-4z2yA:
22.2		 4pghB-4z2yA:
30.53
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.
4zsb HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR DASR

(Streptomyces
coelicolor) 		PF07702
(UTRA) 		5 GLY A 135
ASP A 122
LYS A 161
ILE A 131
ASP A 130
 None
 1.39A 4pghB-4zsbA:
undetectable		 4pghB-4zsbA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		5 SER A 260
GLY A 374
LEU A 403
LYS A 364
ILE A 375
 None
 1.37A 4pghB-5aqaA:
undetectable		 4pghB-5aqaA:
22.98
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.
5c2v HYDRAZINE SYNTHASE
BETA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		PF02239
(Cytochrom_D1) 		5 ASP B  57
GLY B 100
ASP B  99
ILE B 118
ASP B 117
 None
 1.14A 4pghB-5c2vB:
undetectable		 4pghB-5c2vB:
23.41
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
ASP A 209
GLY A 211
ASP A 234
LEU A 235
ASP A 254
MET A 255
LYS A 268
ILE A 270
ASP A 273
TRP A 274
 SAH  A 401 (-2.5A)
SAH  A 401 ( 4.6A)
SAH  A 401 (-3.8A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.0A)
SAH  A 401 ( 4.9A)
N7I  A 402 ( 2.7A)
None
 0.73A 4pghB-5cvvA:
40.1		 4pghB-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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 THR A  67
ASP A  13
LYS A  85
ILE A  87
ASP A  95
 None
 1.27A 4pghB-5d0fA:
undetectable		 4pghB-5d0fA:
12.75
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 ASP A  42
GLY A  44
ASP A  66
LEU A  67
ASP A  94
 SAH  A 301 ( 4.5A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.5A)
 0.81A 4pghB-5epeA:
9.6		 4pghB-5epeA:
20.71
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		6 SER A 146
ASP A 177
GLY A 179
ASP A 202
ASP A 229
ASP A 250
 SAH  A 400 (-3.0A)
SAH  A 400 ( 4.5A)
SAH  A 400 (-4.0A)
SAH  A 400 (-1.6A)
SAH  A 400 (-4.1A)
None
 0.73A 4pghB-5f8eA:
18.9		 4pghB-5f8eA:
23.73
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.
5fsw RNA DEPENDENT RNA
POLYMERASE QDE-1

(Thielavia
terrestris) 		PF05183
(RdRP) 		5 SER A 384
GLY A 627
ASP A 622
ASP A 591
ASP A 738
 None
 1.34A 4pghB-5fswA:
undetectable		 4pghB-5fswA:
15.98
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		6 ASP A 199
ASP A 224
ASP A 251
MET A 252
ASP A 271
TRP A 272
 None
EDO  A 504 (-4.0A)
EDO  A 504 (-3.8A)
EDO  A 504 (-3.9A)
AGI  A 501 (-2.4A)
None
 0.61A 4pghB-5i2hA:
19.1		 4pghB-5i2hA:
24.43
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 ASP A 193
GLY A 195
ASP A 218
ILE A 254
TRP A 258
 None
 0.90A 4pghB-5icgA:
30.2		 4pghB-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 ASP A 193
GLY A 195
ILE A 254
ASP A 257
TRP A 258
 None
 0.72A 4pghB-5icgA:
30.2		 4pghB-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
THR A 170
ILE A 254
ASP A 257
TRP A 258
 None
 1.28A 4pghB-5icgA:
30.2		 4pghB-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.
5iz1 FRUCTOSE-1,6-BISPHOS
PHATASE

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 SER A 202
ASP A 197
THR A 180
LEU A 409
MET A 377
 None
 1.15A 4pghB-5iz1A:
undetectable		 4pghB-5iz1A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.12A 4pghB-5ly9A:
undetectable		 4pghB-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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 GLY B 351
THR B  21
LEU B 367
ASP B 447
ILE B 310
 None
AMP  B 801 (-4.0A)
None
MG  B 806 (-3.5A)
None
 1.41A 4pghB-5m45B:
undetectable		 4pghB-5m45B:
21.79
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 SER A  92
ASP A 236
GLY A 233
THR A 239
ASP A 203
 None
None
None
None
MG  A 701 ( 4.5A)
 1.40A 4pghB-5tkyA:
undetectable		 4pghB-5tkyA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 SER A  81
ASP A 137
GLY A 138
ASP A 140
LEU A 143
 None
SAH  A 502 (-3.4A)
SAH  A 502 ( 3.9A)
None
None
 1.40A 4pghB-5utuA:
2.8		 4pghB-5utuA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 6 ASP A 241
ASP A 269
LEU A 270
ASP A 292
ASP A 314
TRP A 315
 SAM  A 501 ( 4.8A)
SAM  A 501 (-2.7A)
SAM  A 501 (-4.3A)
SAM  A 501 (-3.4A)
SAM  A 501 ( 4.2A)
None
 0.74A 4pghB-5w7pA:
25.0		 4pghB-5w7pA:
23.79
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.
5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1

(Homo sapiens) 		PF00005
(ABC_tran)
PF12698
(ABC2_membrane_3) 		5 SER A1376
THR A 566
LEU A1606
ASP A 598
ILE A 556
 None
 1.35A 4pghB-5xjyA:
undetectable		 4pghB-5xjyA:
9.14
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 10 SER A 179
ASP A 201
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 ( 4.5A)
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
 0.82A 4pghB-5xohA:
38.5		 4pghB-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 10 SER A 179
ASP A 201
GLY A 203
THR A 209
ASP A 226
LEU A 227
ASP A 246
MET A 247
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 4.5A)
SAH  A 401 (-3.4A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
None
None
 0.67A 4pghB-5xohA:
38.5		 4pghB-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 ASP A 180
GLY A 182
ASP A 205
ASP A 232
ASP A 252
TRP A 253
 FMT  A 502 (-2.6A)
SAH  A 501 (-4.0A)
SAH  A 501 (-2.9A)
SAH  A 501 (-3.5A)
SAH  A 501 (-4.0A)
None
 0.54A 4pghB-6c5bA:
17.5		 4pghB-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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 GLY A 295
ASP A 293
ASP A 299
ILE A 790
ASP A 242
 None
 1.37A 4pghB-6eksA:
undetectable		 4pghB-6eksA:
18.88