SIMILAR PATTERNS OF AMINO ACIDS FOR 1FPQ_A_SAMA1699_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.
1am2 MXE GYRA INTEIN

(Mycobacterium
xenopi) 		no annotation 5 GLY A  71
VAL A  61
ASP A 171
ALA A   0
ASN A  74
 None
 1.38A 1fpqA-1am2A:
undetectable		 1fpqA-1am2A:
21.96
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.
1bg4 ENDO-1,4-BETA-XYLANA
SE

(Penicillium
simplicissimum) 		PF00331
(Glyco_hydro_10) 		5 GLY A 204
ASN A 173
LEU A 196
VAL A 192
ALA A 235
 None
None
None
None
NA  A 621 ( 3.8A)
 1.42A 1fpqA-1bg4A:
undetectable		 1fpqA-1bg4A:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 196
ASP A 219
VAL A 223
ASP A 239
ASN A 258
TRP A 259
 SAH  A1699 (-3.8A)
SAH  A1699 (-2.9A)
None
SAH  A1699 (-3.8A)
HMO  A2000 (-3.1A)
None
 0.26A 1fpqA-1fp2A:
22.0		 1fpqA-1fp2A:
29.55
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) 		10 CYH A 193
GLY A 217
ASN A 223
ASP A 240
LEU A 241
VAL A 244
ASP A 260
ALA A 275
ASN A 279
TRP A 280
 SAM  A1699 ( 3.7A)
SAM  A1699 (-3.6A)
SAM  A1699 (-4.1A)
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-4.7A)
SAM  A1699 (-3.8A)
SAM  A1699 (-3.5A)
SAM  A1699 (-4.0A)
None
 0.00A 1fpqA-1fpqA:
51.8		 1fpqA-1fpqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 218
ASP A 240
LEU A 241
VAL A 244
ALA A 275
 None
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-4.7A)
SAM  A1699 (-3.5A)
 1.13A 1fpqA-1fpqA:
51.8		 1fpqA-1fpqA:
100.00
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 1fpqA-1kywA:
25.5		 1fpqA-1kywA:
49.60
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 208
ASP A 231
LEU A 232
VAL A 235
ASP A 251
 None
 0.33A 1fpqA-1kywA:
25.5		 1fpqA-1kywA:
49.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1los OROTIDINE
MONOPHOSPHATE
DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF00215
(OMPdecase) 		5 GLY A  99
LEU A 149
VAL A 151
ALA A  74
ASN A  80
 None
 1.39A 1fpqA-1losA:
undetectable		 1fpqA-1losA:
19.31
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.
1lrk UDP-GLUCOSE
4-EPIMERASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A   8
LEU A  41
VAL A  40
ALA A  81
ASN A  32
 None
None
None
NAD  A 340 (-3.7A)
NAD  A 340 (-3.2A)
 1.41A 1fpqA-1lrkA:
6.0		 1fpqA-1lrkA:
21.39
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 128
ASN A 292
VAL A 190
ALA A 323
ASN A 151
 None
 1.44A 1fpqA-1p31A:
5.2		 1fpqA-1p31A:
21.69
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.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 GLY A 177
LEU A  95
VAL A  98
ALA A 109
ASN A 152
 None
 1.49A 1fpqA-1pk9A:
undetectable		 1fpqA-1pk9A:
21.96
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.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		6 CYH A 165
GLY A 190
LEU A 214
ASP A 240
ASN A 260
TRP A 261
 None
SAM  A 635 (-3.8A)
SAM  A 635 (-4.2A)
SAM  A 635 (-3.7A)
SAM  A 635 (-3.8A)
None
 1.02A 1fpqA-1qzzA:
21.0		 1fpqA-1qzzA:
26.10
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.
1ta3 ENDO-1,4-BETA-XYLANA
SE

(Aspergillus
nidulans) 		PF00331
(Glyco_hydro_10) 		5 GLY B 200
ASN B 169
LEU B 192
VAL B 188
ALA B 233
 None
 1.36A 1fpqA-1ta3B:
undetectable		 1fpqA-1ta3B:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vl8 GLUCONATE
5-DEHYDROGENASE

(Thermotoga
maritima) 		PF13561
(adh_short_C2) 		5 GLY A  22
LEU A  29
VAL A  36
ALA A  95
ASN A  93
 None
None
None
NAP  A 274 (-3.2A)
None
 1.20A 1fpqA-1vl8A:
6.0		 1fpqA-1vl8A:
23.24
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 GLY A 131
ASP A 196
VAL A 197
ASP A 368
ALA A 135
 SO4  A 505 ( 3.7A)
SO4  A 505 ( 4.6A)
None
None
None
 1.30A 1fpqA-1x3lA:
2.4		 1fpqA-1x3lA:
22.56
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.
1ys7 TRANSCRIPTIONAL
REGULATORY PROTEIN
PRRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLY A  66
ASP A  65
LEU A  64
ASP A  39
ALA A 102
 None
 1.48A 1fpqA-1ys7A:
undetectable		 1fpqA-1ys7A:
21.68
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 207
ASP A 230
VAL A 234
ASP A 250
TRP A 270
 SAH  A3994 (-3.9A)
SAH  A3994 (-2.8A)
None
SAH  A3994 (-3.4A)
None
 0.39A 1fpqA-1zgjA:
23.1		 1fpqA-1zgjA:
33.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fsn HYPOTHETICAL PROTEIN
TA0583

(Thermoplasma
acidophilum) 		no annotation 5 GLY A 154
ASN A 161
LEU A 185
ASP A 183
ALA A 321
 None
 1.23A 1fpqA-2fsnA:
undetectable		 1fpqA-2fsnA:
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.
2g3w HYPOTHETICAL PROTEIN
XAC2396

(Xanthomonas
citri) 		PF07152
(YaeQ) 		5 GLY A 106
LEU A  84
VAL A  42
ASP A  83
ALA A 111
 None
 1.37A 1fpqA-2g3wA:
undetectable		 1fpqA-2g3wA:
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.
2jfe CYTOSOLIC
BETA-GLUCOSIDASE

(Homo sapiens) 		PF00232
(Glyco_hydro_1) 		5 GLY X 187
ASP X 175
LEU X 176
VAL X 171
ALA X 330
 None
 1.28A 1fpqA-2jfeX:
undetectable		 1fpqA-2jfeX:
22.33
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 436
ASN A 441
LEU A 453
VAL A 451
ASP A 429
 None
None
None
None
MG  A4002 ( 2.7A)
 1.37A 1fpqA-2q5oA:
2.4		 1fpqA-2q5oA:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 201
ASP A 224
VAL A 228
ASP A 244
ALA A 259
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)
None
 0.25A 1fpqA-2qyoA:
22.8		 1fpqA-2qyoA:
30.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vp8 DIHYDROPTEROATE
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00809
(Pterin_bind) 		5 GLY A 282
LEU A 239
VAL A 246
ASP A 238
ALA A 276
 None
 1.50A 1fpqA-2vp8A:
undetectable		 1fpqA-2vp8A:
23.08
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		5 GLY A 214
ASN A 217
LEU A 688
VAL A 691
ASN A 237
 None
 1.35A 1fpqA-2x2iA:
undetectable		 1fpqA-2x2iA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 GLY A 702
LEU A 713
VAL A 718
ASP A 709
ALA A 620
 B12  A 800 (-3.5A)
None
None
None
None
 1.49A 1fpqA-2xijA:
4.4		 1fpqA-2xijA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
ASN A  43
ASP A  99
LEU A 100
ASP A 114
 SAH  A1293 (-3.8A)
SAH  A1293 (-3.8A)
SAH  A1293 (-2.7A)
SAH  A1293 (-4.3A)
SAH  A1293 (-3.7A)
 1.34A 1fpqA-2xyqA:
8.2		 1fpqA-2xyqA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 GLY A 257
ASN A 264
LEU A 255
VAL A 254
ALA A 316
 None
 1.39A 1fpqA-3dqqA:
2.9		 1fpqA-3dqqA:
21.05
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.
3hdb AAHIV

(Deinagkistrodon
acutus) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		5 GLY A 405
ASN A 229
ASP A 416
ASP A 429
ASN A 422
 2PE  A 652 ( 4.6A)
2PE  A 652 (-3.5A)
CA  A 622 (-3.3A)
None
None
 1.48A 1fpqA-3hdbA:
undetectable		 1fpqA-3hdbA:
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.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		5 GLY A 194
ASN A  63
LEU A 187
VAL A 190
ALA A 199
 PO4  A 300 (-3.1A)
None
None
None
None
 1.49A 1fpqA-3hpdA:
4.7		 1fpqA-3hpdA:
22.63
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 GLY A 177
ASP A 200
LEU A 201
ALA A 243
TRP A 248
 SAH  A 401 (-3.9A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.4A)
7NA  A 402 ( 3.7A)
None
 0.21A 1fpqA-3i58A:
19.9		 1fpqA-3i58A:
27.74
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.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		5 GLY A 428
LEU A 432
VAL A 439
ASP A 435
ALA A 340
 None
 1.42A 1fpqA-3ihaA:
undetectable		 1fpqA-3ihaA:
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.
3ijp DIHYDRODIPICOLINATE
REDUCTASE

(Bartonella
henselae) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 LEU A  32
VAL A   6
ASP A  60
ALA A  88
ASN A  85
 None
 1.37A 1fpqA-3ijpA:
5.8		 1fpqA-3ijpA:
21.96
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.
3ilh TWO COMPONENT
RESPONSE REGULATOR

(Cytophaga
hutchinsonii) 		PF00072
(Response_reg) 		5 ASN A 129
LEU A  12
VAL A  10
ASP A  14
ALA A 124
 None
 1.47A 1fpqA-3ilhA:
2.9		 1fpqA-3ilhA:
15.65
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.
3kda CFTR INHIBITORY
FACTOR (CIF)

(Pseudomonas
aeruginosa) 		no annotation 5 GLY D  90
ASN D 233
LEU D  46
VAL D  44
ASN D 134
 None
 1.22A 1fpqA-3kdaD:
3.1		 1fpqA-3kdaD:
19.48
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.
3ljf IRON SUPEROXIDE
DISMUTASE

(Pseudoalteromonas
haloplanktis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 CYH A  57
GLY A 149
LEU A 128
VAL A 126
ASP A 130
 None
 1.43A 1fpqA-3ljfA:
undetectable		 1fpqA-3ljfA:
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		6 GLY A 189
ASP A 212
VAL A 216
ASP A 237
ASN A 256
TRP A 257
 SAH  A 346 (-4.0A)
SAH  A 346 (-3.0A)
None
SAH  A 346 (-3.6A)
None
None
 0.51A 1fpqA-3lstA:
18.0		 1fpqA-3lstA:
26.18
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.
3o80 HEXOKINASE

(Kluyveromyces
lactis) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 GLY A 228
ASN A 236
LEU A 219
VAL A 216
ASP A 222
 None
 1.27A 1fpqA-3o80A:
undetectable		 1fpqA-3o80A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o85 RIBOSOMAL PROTEIN
L7AE

(Giardia
intestinalis) 		PF01248
(Ribosomal_L7Ae) 		5 CYH A  70
GLY A 102
LEU A 107
VAL A 111
ALA A  39
 None
 1.19A 1fpqA-3o85A:
undetectable		 1fpqA-3o85A:
15.68
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 GLY A 205
ASP A 228
LEU A 229
VAL A 232
ASP A 248
TRP A 268
 SAH  A 401 (-3.8A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.6A)
None
 0.21A 1fpqA-3p9cA:
25.3		 1fpqA-3p9cA:
40.21
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
ASN A  43
ASP A  99
LEU A 100
ASP A 114
 SAM  A 302 (-3.7A)
SAM  A 302 (-3.5A)
SAM  A 302 (-2.6A)
SAM  A 302 (-4.4A)
SAM  A 302 (-3.4A)
 1.36A 1fpqA-3r24A:
4.5		 1fpqA-3r24A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sju KETO REDUCTASE

(Streptomyces
griseoruber) 		PF00106
(adh_short) 		5 GLY A  17
LEU A  24
VAL A  31
ALA A  89
ASN A  87
 None
None
None
NDP  A 301 (-3.5A)
None
 1.18A 1fpqA-3sjuA:
6.7		 1fpqA-3sjuA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tpc SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		5 GLY A  20
LEU A  27
VAL A  34
ALA A  89
ASN A  87
 None
 1.25A 1fpqA-3tpcA:
4.8		 1fpqA-3tpcA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 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
ALA A 251
 SAM  A1349 (-3.6A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.7A)
 0.88A 1fpqA-4a6eA:
19.8		 1fpqA-4a6eA:
26.15
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.
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
 0.32A 1fpqA-4a6eA:
19.8		 1fpqA-4a6eA:
26.15
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 208
ASP A 231
LEU A 232
VAL A 235
TRP A 273
 SAH  A 401 (-3.6A)
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.8A)
None
 0.32A 1fpqA-4eviA:
3.2		 1fpqA-4eviA:
27.39
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.
4hp8 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 GLY A  22
ASN A  18
LEU A  29
VAL A  36
ALA A  87
 None
NAP  A 301 (-3.1A)
None
None
NAP  A 301 (-3.7A)
 1.24A 1fpqA-4hp8A:
6.1		 1fpqA-4hp8A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ici PUTATIVE
FLAVOPROTEIN

(Bacteroides
eggerthii) 		PF12682
(Flavodoxin_4) 		5 LEU A 164
VAL A 139
ASP A 163
ALA A 121
ASN A 126
 None
 1.41A 1fpqA-4iciA:
undetectable		 1fpqA-4iciA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jmn PROBABLE
L,D-TRANSPEPTIDASE
LDTA

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 GLY A  51
ASP A 245
LEU A 125
VAL A 241
ALA A  48
 None
 1.44A 1fpqA-4jmnA:
undetectable		 1fpqA-4jmnA:
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.
4luj OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00215
(OMPdecase) 		5 GLY A 107
LEU A 157
VAL A 159
ALA A  83
ASN A  89
 None
 1.27A 1fpqA-4lujA:
undetectable		 1fpqA-4lujA:
21.26
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) 		6 GLY A 206
ASP A 229
LEU A 230
VAL A 233
ASP A 249
TRP A 269
 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)
None
 0.34A 1fpqA-4pghA:
26.8		 1fpqA-4pghA:
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.
4qhx UNCHARACTERIZED
PROTEIN

(Bacteroides
caccae) 		PF11958
(DUF3472)
PF16871
(DUF5077) 		5 CYH A 401
ASN A 375
LEU A 321
VAL A 335
ALA A 355
 None
 1.48A 1fpqA-4qhxA:
undetectable		 1fpqA-4qhxA:
20.79
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.
4qhx UNCHARACTERIZED
PROTEIN

(Bacteroides
caccae) 		PF11958
(DUF3472)
PF16871
(DUF5077) 		5 CYH A 401
GLY A 373
ASN A 375
LEU A 321
ALA A 355
 None
 1.42A 1fpqA-4qhxA:
undetectable		 1fpqA-4qhxA:
20.79
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.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 178
ASN A 184
ASP A 201
ASP A 228
TRP A 250
 None
 0.71A 1fpqA-4qvgA:
21.7		 1fpqA-4qvgA:
24.46
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.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 178
ASP A 201
ASP A 228
ALA A 244
TRP A 250
 None
 1.11A 1fpqA-4qvgA:
21.7		 1fpqA-4qvgA:
24.46
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.
4u6b CONSERVED
HYPOTHETICAL
LIPOPROTEIN

(Zobellia
galactanivorans) 		PF04616
(Glyco_hydro_43) 		5 ASP A 147
ASP A 139
ALA A 200
ASN A 202
TRP A 179
 None
PEG  A 504 (-3.9A)
None
None
None
 1.40A 1fpqA-4u6bA:
undetectable		 1fpqA-4u6bA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjs RSA4

(Chaetomium
thermophilum) 		PF00400
(WD40) 		5 GLY A 464
ASN A 408
ASP A 483
ALA A 493
TRP A 515
 None
 1.40A 1fpqA-4wjsA:
undetectable		 1fpqA-4wjsA:
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.
4zjg ALPHA-2-MACROGLOBULI
N

(Escherichia
coli) 		PF11974
(MG1) 		5 LEU A 135
VAL A 103
ASP A 134
ALA A  80
ASN A 247
 None
GOL  A 408 (-4.2A)
None
None
None
 1.44A 1fpqA-4zjgA:
undetectable		 1fpqA-4zjgA:
22.78
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.
5a3j PUTATIVE
QUINONE-OXIDOREDUCTA
SE HOMOLOG,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 CYH A 228
GLY A 135
LEU A 290
VAL A 296
ALA A 141
 None
 1.29A 1fpqA-5a3jA:
6.1		 1fpqA-5a3jA:
23.49
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 211
ASP A 234
LEU A 235
VAL A 238
ASP A 254
TRP A 274
 SAH  A 401 (-3.8A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.5A)
None
 0.28A 1fpqA-5cvvA:
24.3		 1fpqA-5cvvA:
46.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eqn FRBJ

(Streptomyces
rubellomurinus) 		PF02668
(TauD) 		5 GLY A 103
LEU A  55
VAL A  60
ASP A  54
ASN A  46
 None
 1.28A 1fpqA-5eqnA:
2.0		 1fpqA-5eqnA:
23.22
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.
5evl BETA-LACTAMASE

(Chromobacterium
violaceum) 		PF00144
(Beta-lactamase) 		5 GLY A 286
LEU A 284
VAL A 350
ALA A 292
ASN A 289
 None
None
None
None
SO4  A 402 (-2.9A)
 1.35A 1fpqA-5evlA:
undetectable		 1fpqA-5evlA:
20.75
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.
5jla PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  22
LEU A  29
VAL A  36
ALA A  89
ASN A  87
 None
None
None
NAD  A 401 (-3.6A)
None
 1.14A 1fpqA-5jlaA:
6.3		 1fpqA-5jlaA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 ASN A 242
LEU A 393
VAL A 283
ALA A 245
TRP A 219
 CA  A 614 (-2.9A)
None
None
CA  A 613 (-4.4A)
None
 1.25A 1fpqA-5k8gA:
undetectable		 1fpqA-5k8gA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		5 GLY A  92
ASN A 195
ASP A  94
LEU A 115
VAL A 112
 None
 1.46A 1fpqA-5karA:
undetectable		 1fpqA-5karA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l51 (-)-MENTHONE:(+)-NEO
MENTHOL REDUCTASE

(Mentha x
piperita) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 GLY A  26
ASN A  22
LEU A  33
VAL A  40
ALA A 103
 None
 1.38A 1fpqA-5l51A:
6.2		 1fpqA-5l51A:
22.47
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.
5lcx (-)-ISOPIPERITENONE
REDUCTASE

(Mentha x
piperita) 		PF00106
(adh_short) 		5 GLY A  18
ASN A  14
LEU A  25
VAL A  32
ALA A  94
 None
NAP  A 400 (-2.8A)
None
None
NAP  A 400 (-3.4A)
 1.18A 1fpqA-5lcxA:
6.2		 1fpqA-5lcxA:
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.
5o98 ALCOHOL
DEHYDROGENASE 1

(Catharanthus
roseus) 		no annotation 5 GLY A  21
ASN A  17
LEU A  28
VAL A  35
ALA A  95
 None
NAP  A 501 (-3.0A)
None
None
NAP  A 501 (-3.4A)
 1.25A 1fpqA-5o98A:
6.3		 1fpqA-5o98A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 6 GLY A 203
ASP A 226
LEU A 227
VAL A 230
ASP A 246
TRP A 266
 SAH  A 401 (-3.4A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-3.7A)
None
 0.27A 1fpqA-5xohA:
21.9		 1fpqA-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 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 1fpqA-6c5bA:
21.4		 1fpqA-6c5bA:
undetectable