SIMILAR PATTERNS OF AMINO ACIDS FOR 3PFG_A_SAMA264_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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 115
HIS A  43
LEU A 138
SER A 139
SER A  81
 None
ZN  A 600 (-3.3A)
None
None
None
 1.23A 3pfgA-1hp1A:
undetectable		 3pfgA-1hp1A:
17.73
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 TYR A  16
GLY A  74
LEU A  95
SER A  96
HIS A 141
 SAH  A1900 ( 4.2A)
SAH  A1900 (-3.2A)
SAH  A1900 (-4.4A)
None
SAH  A1900 (-4.4A)
 0.69A 3pfgA-1kphA:
15.0		 3pfgA-1kphA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 TYR A  24
GLY A  82
LEU A 103
SER A 104
HIS A 149
 SAH  A 900 ( 4.1A)
SAH  A 900 (-3.1A)
SAH  A 900 (-4.4A)
None
SAH  A 900 (-4.3A)
 0.64A 3pfgA-1kpiA:
14.1		 3pfgA-1kpiA:
24.22
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.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		5 TYR A 208
GLY A 179
LEU A 210
SER A 207
HIS A 261
 None
 0.92A 3pfgA-1rtrA:
undetectable		 3pfgA-1rtrA:
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.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		5 TYR A 170
ALA A 220
GLY A 222
LEU A 216
PHE A  69
 None
 1.26A 3pfgA-1s6rA:
undetectable		 3pfgA-1s6rA:
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 TYR A  16
GLY A  74
LEU A  95
SER A  96
HIS A 141
 SAH  A1900 ( 4.1A)
SAH  A1900 (-3.3A)
SAH  A1900 (-4.3A)
None
16A  A1901 ( 4.2A)
 0.70A 3pfgA-1tpyA:
14.9		 3pfgA-1tpyA:
23.00
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.
1ub3 ALDOLASE PROTEIN

(Thermus
thermophilus) 		PF01791
(DeoC) 		5 ALA A 182
GLY A 184
SER A 205
ASP A   8
SER A 153
 HPD  A 801 (-3.2A)
HPD  A 801 (-3.9A)
HPD  A 801 (-2.6A)
None
None
 1.19A 3pfgA-1ub3A:
3.1		 3pfgA-1ub3A:
26.79
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.
1vcv PROBABLE
DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Pyrobaculum
aerophilum) 		PF01791
(DeoC) 		5 ALA A 190
GLY A 192
SER A 220
ASP A   6
SER A 148
 None
 1.06A 3pfgA-1vcvA:
2.8		 3pfgA-1vcvA:
24.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		7 ALA A  46
GLY A  48
SER A  69
MET A  72
ASP A  93
SER A 112
HIS A 115
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
 0.61A 3pfgA-1ve3A:
8.0		 3pfgA-1ve3A:
22.02
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 TYR A   7
GLY A  48
MET A  72
SER A 112
HIS A 115
 SAM  A 302 (-4.6A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
 1.12A 3pfgA-1ve3A:
8.0		 3pfgA-1ve3A:
22.02
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.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331

(Bacillus
halodurans) 		PF08241
(Methyltransf_11) 		5 ALA A  50
GLY A  52
LEU A  72
ASP A  98
HIS A 120
 None
 0.83A 3pfgA-1vl5A:
19.5		 3pfgA-1vl5A:
24.13
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.
1wzn SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		7 TYR A   5
ALA A  49
GLY A  51
LEU A  71
MET A  75
ASP A  96
PHE A 113
 SAH  A1001 (-3.5A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.1A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.4A)
SAH  A1001 (-3.3A)
None
 0.28A 3pfgA-1wznA:
26.5		 3pfgA-1wznA:
25.63
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		7 ALA A  46
GLY A  48
LEU A  68
SER A  69
MET A  72
ASP A  93
SER A 112
 None
 0.58A 3pfgA-1y8cA:
26.2		 3pfgA-1y8cA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		5 ALA A  97
GLY A 100
MET A 102
ASP A 284
PHE A 161
 None
 1.34A 3pfgA-2au1A:
undetectable		 3pfgA-2au1A:
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.
2hk3 DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ALA A 151
GLY A 149
LEU A 167
SER A 169
SER A  35
 None
 1.34A 3pfgA-2hk3A:
undetectable		 3pfgA-2hk3A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		5 ALA A 331
GLY A 336
MET A 353
SER A 342
HIS A 347
 None
 1.33A 3pfgA-2hp3A:
undetectable		 3pfgA-2hp3A:
21.93
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.
2kgw OUTER MEMBRANE
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00691
(OmpA) 		5 ALA A 224
GLY A 226
LEU A 232
SER A 231
ASP A 236
 None
 1.41A 3pfgA-2kgwA:
undetectable		 3pfgA-2kgwA:
21.46
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.
2kie INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens) 		PF16726
(OCRL_clath_bd) 		6 ALA A  34
GLY A  22
HIS A 108
LEU A  50
ASP A  59
HIS A  56
 None
 1.29A 3pfgA-2kieA:
undetectable		 3pfgA-2kieA:
20.73
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.
2uyd HEMOPHORE HASA

(Serratia
marcescens) 		PF06438
(HasA) 		5 TYR X  86
ALA X 125
GLY X 127
LEU X 123
SER X 122
 None
 1.12A 3pfgA-2uydX:
2.1		 3pfgA-2uydX:
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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 492
HIS A 490
LEU A 445
PHE A 498
SER A 452
 None
None
NAD  A3001 (-4.1A)
None
None
 1.16A 3pfgA-2v7gA:
7.1		 3pfgA-2v7gA:
19.33
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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 493
HIS A 490
LEU A 445
PHE A 498
SER A 452
 NAD  A3001 (-3.1A)
None
NAD  A3001 (-4.1A)
None
None
 1.38A 3pfgA-2v7gA:
7.1		 3pfgA-2v7gA:
19.33
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		5 ALA A1163
HIS A1037
LEU A1135
SER A1133
ASP A1472
 None
 1.19A 3pfgA-2xkkA:
undetectable		 3pfgA-2xkkA:
15.91
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.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		5 TYR A 280
GLY A 318
LEU A 335
ASP A 346
MET A 347
 None
SAH  A 900 ( 3.7A)
SAH  A 900 (-4.2A)
SAH  A 900 (-3.6A)
SAH  A 900 (-3.6A)
 0.98A 3pfgA-2zfuA:
11.6		 3pfgA-2zfuA:
23.74
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.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		5 GLY A  52
LEU A  73
SER A  74
MET A  77
ASP A  96
 None
 0.70A 3pfgA-3bkwA:
15.7		 3pfgA-3bkwA:
25.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		10 ALA A  46
GLY A  48
HIS A  52
LEU A  68
SER A  69
MET A  72
ASP A  89
MET A  90
PHE A 106
SER A 108
 SAM  A 238 (-3.2A)
SAM  A 238 ( 3.7A)
SAM  A 238 (-4.1A)
SAM  A 238 (-3.9A)
SAM  A 238 (-4.6A)
SAM  A 238 (-4.2A)
SAM  A 238 (-3.0A)
SAM  A 238 (-4.4A)
UPP  A 239 ( 3.6A)
SAM  A 238 (-3.2A)
 0.38A 3pfgA-3bxoA:
36.7		 3pfgA-3bxoA:
59.92
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 GLY A  42
LEU A  61
SER A  62
MET A  65
ASP A  86
MET A  87
SER A 105
 None
 0.69A 3pfgA-3d2lA:
26.2		 3pfgA-3d2lA:
25.90
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  52
SER A  75
MET A  78
ASP A  98
HIS A 119
 None
 0.68A 3pfgA-3dtnA:
17.5		 3pfgA-3dtnA:
23.21
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  52
SER A  75
MET A  78
SER A 116
HIS A 119
 None
 1.00A 3pfgA-3dtnA:
17.5		 3pfgA-3dtnA:
23.21
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.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME

(Saccharomyces
cerevisiae) 		PF01946
(Thi4) 		5 ALA A  80
GLY A 313
HIS A 315
LEU A  78
SER A  75
 None
None
None
None
AHZ  A1100 (-3.6A)
 1.38A 3pfgA-3fpzA:
undetectable		 3pfgA-3fpzA:
23.56
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.
3g2p PCZA361.24

(Amycolatopsis
orientalis) 		PF13649
(Methyltransf_25) 		7 ALA A  71
GLY A  73
LEU A  93
SER A  94
ASP A 122
MET A 123
SER A 141
 SAH  A 500 (-3.1A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.9A)
SAH  A 500 (-3.6A)
SAH  A 500 (-4.3A)
SAH  A 500 (-3.0A)
 0.59A 3pfgA-3g2pA:
18.0		 3pfgA-3g2pA:
27.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5l PUTATIVE
S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF13649
(Methyltransf_25) 		5 GLY A  52
HIS A  56
LEU A  73
SER A  74
MET A  77
 None
 0.69A 3pfgA-3g5lA:
15.3		 3pfgA-3g5lA:
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  55
SER A  76
MET A  79
ASP A  97
HIS A 118
 None
 0.75A 3pfgA-3hnrA:
16.8		 3pfgA-3hnrA:
25.91
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.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 ALA A 293
GLY A  10
HIS A  31
LEU A 295
PHE A 286
 None
 1.38A 3pfgA-3htvA:
undetectable		 3pfgA-3htvA:
23.46
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 ALA A  45
GLY A  41
LEU A  46
MET A  49
PHE A  99
 None
 1.29A 3pfgA-3khzA:
undetectable		 3pfgA-3khzA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kxi GTP-BINDING PROTEIN
(HFLX)

(Sulfolobus
solfataricus) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		5 ALA A 335
GLY A 191
LEU A 336
PHE A 196
SER A 198
 GDP  A 500 (-3.8A)
GDP  A 500 (-3.2A)
GDP  A 500 (-3.9A)
None
SCN  A 366 ( 4.0A)
 1.21A 3pfgA-3kxiA:
2.5		 3pfgA-3kxiA:
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.
3lq0 PROASTACIN

(Astacus astacus) 		PF01400
(Astacin) 		5 TYR A 141
ALA A   1
GLY A  34
ASP A 186
HIS A 148
 None
 1.22A 3pfgA-3lq0A:
undetectable		 3pfgA-3lq0A:
20.07
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.
3mve UPF0255 PROTEIN
VV1_0328

(Vibrio
vulnificus) 		PF06500
(DUF1100) 		5 ALA A 277
LEU A 281
SER A 282
PHE A 271
SER A 199
 None
 1.12A 3pfgA-3mveA:
undetectable		 3pfgA-3mveA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ngj DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Entamoeba
histolytica) 		PF01791
(DeoC) 		5 ALA A 185
GLY A 187
HIS A 162
SER A 208
ASP A  11
 None
 1.21A 3pfgA-3ngjA:
4.7		 3pfgA-3ngjA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		5 TYR A  15
ALA A  54
GLY A  56
MET A  80
HIS A 119
 SAM  A 300 ( 3.5A)
SAM  A 300 (-3.4A)
SAM  A 300 (-3.1A)
SAM  A 300 (-4.0A)
SO4  A 301 (-4.0A)
 0.98A 3pfgA-3ou6A:
14.4		 3pfgA-3ou6A:
28.46
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.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		6 TYR A  15
ALA A  54
GLY A  56
SER A  77
MET A  80
ASP A  98
 SAM  A 300 ( 3.5A)
SAM  A 300 (-3.4A)
SAM  A 300 (-3.1A)
SAM  A 300 (-4.5A)
SAM  A 300 (-4.0A)
SAM  A 300 (-4.0A)
 0.96A 3pfgA-3ou6A:
14.4		 3pfgA-3ou6A:
28.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		11 TYR A  14
ALA A  58
GLY A  60
HIS A  64
LEU A  80
SER A  81
MET A  84
ASP A 101
MET A 102
PHE A 118
SER A 120
 SAH  A 263 ( 3.9A)
SAH  A 263 (-3.5A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.3A)
SAH  A 263 (-3.8A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 (-3.5A)
SAH  A 263 (-4.5A)
T3Q  A 301 ( 3.2A)
SAH  A 263 (-3.3A)
 0.15A 3pfgA-3px2A:
42.3		 3pfgA-3px2A:
99.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		6 TYR A  14
GLY A  60
SER A  81
MET A  84
PHE A 118
HIS A 210
 SAH  A 263 ( 3.9A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
T3Q  A 301 ( 3.2A)
T3Q  A 301 ( 4.5A)
 1.46A 3pfgA-3px2A:
42.3		 3pfgA-3px2A:
99.24
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 ALA L 385
GLY L 395
LEU L 389
PHE L 340
SER L 464
 None
None
None
LFA  L 616 (-4.4A)
None
 1.34A 3pfgA-3rkoL:
undetectable		 3pfgA-3rkoL:
18.40
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.
3sn0 PUTATIVE
L-ALANINE-DL-GLUTAMA
TE EPIMERASE

(Paraburkholderia
xenovorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  92
GLY A  31
LEU A  94
PHE A  20
SER A  33
 None
 1.32A 3pfgA-3sn0A:
undetectable		 3pfgA-3sn0A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tzw POLYKETIDE SYNTHASE
PKS13

(Mycobacterium
tuberculosis) 		PF00698
(Acyl_transf_1) 		5 ALA A 907
GLY A 879
MET A 913
PHE A 902
HIS A 909
 None
None
None
None
SO4  A   6 (-4.1A)
 1.35A 3pfgA-3tzwA:
undetectable		 3pfgA-3tzwA:
20.77
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 TYR A 315
LEU A 263
SER A 260
ASP A 279
SER A 275
 None
 1.27A 3pfgA-3upyA:
4.5		 3pfgA-3upyA:
23.18
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  35
GLY A  33
MET A  92
PHE A  18
HIS A 289
 None
 1.37A 3pfgA-3vcnA:
undetectable		 3pfgA-3vcnA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 ALA A 443
GLY A 369
LEU A 445
SER A 449
PHE A 364
 None
 1.33A 3pfgA-4av6A:
undetectable		 3pfgA-4av6A:
16.46
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.
4bxj AMPDH3

(Pseudomonas
aeruginosa) 		PF01510
(Amidase_2) 		5 TYR A 217
ALA A 224
GLY A 152
HIS A 146
LEU A 222
 None
 1.26A 3pfgA-4bxjA:
undetectable		 3pfgA-4bxjA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dk1 PUTATIVE MACA,
MULTIDRUG RESISTANCE
PROTEIN MEXA

(Pseudomonas
aeruginosa;
Aggregatibacter
actinomycetemcomitans) 		PF16576
(HlyD_D23) 		5 ALA A 186
GLY A 160
HIS A 256
ASP A  59
SER A  54
 None
 1.31A 3pfgA-4dk1A:
undetectable		 3pfgA-4dk1A:
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 GLY A 115
HIS A  58
LEU A 136
SER A 137
MET A 164
 None
 1.35A 3pfgA-4f85A:
15.9		 3pfgA-4f85A:
24.56
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 GLY A 115
LEU A 136
SER A 137
MET A 164
SER A 182
 None
 1.03A 3pfgA-4f85A:
15.9		 3pfgA-4f85A:
24.56
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.
4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Caulobacter sp.
K31) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  35
GLY A  33
MET A  92
PHE A  18
HIS A 289
 None
 1.38A 3pfgA-4fi4A:
2.2		 3pfgA-4fi4A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		5 ALA A 386
HIS A 403
ASP A 384
MET A 383
HIS A 363
 None
 1.41A 3pfgA-4fwtA:
undetectable		 3pfgA-4fwtA:
12.33
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.
4ifr 2-AMINO-3-CARBOXYMUC
ONATE 6-SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
fluorescens) 		PF04909
(Amidohydro_2) 		5 ALA A 326
GLY A 324
LEU A 291
ASP A   7
MET A   8
 None
 1.26A 3pfgA-4ifrA:
undetectable		 3pfgA-4ifrA:
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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  45
GLY A  43
MET A 102
PHE A  28
HIS A 301
 None
 1.40A 3pfgA-4il2A:
undetectable		 3pfgA-4il2A:
20.83
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		7 TYR A 187
GLY A 234
LEU A 255
SER A 256
MET A 259
ASP A 281
HIS A 303
 SAH  A 501 ( 4.1A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.3A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.9A)
SAH  A 501 (-3.5A)
SAH  A 501 (-4.0A)
 0.67A 3pfgA-4ineA:
13.0		 3pfgA-4ineA:
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 TYR A 187
GLY A 234
SER A 256
MET A 259
PHE A 199
 SAH  A 501 ( 4.1A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.9A)
None
 1.33A 3pfgA-4ineA:
13.0		 3pfgA-4ineA:
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 GLY A 337
LEU A 358
SER A 357
PHE A 267
HIS A 524
 None
None
None
1LF  A 601 (-4.8A)
1LF  A 601 (-3.3A)
 1.38A 3pfgA-4jncA:
undetectable		 3pfgA-4jncA:
20.30
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		7 TYR A 183
GLY A 230
LEU A 251
SER A 252
MET A 255
ASP A 277
HIS A 299
 SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
SAH  A 701 (-4.2A)
 0.62A 3pfgA-4kriA:
16.1		 3pfgA-4kriA:
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 TYR A 183
GLY A 230
SER A 252
MET A 255
PHE A 195
 SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
None
 1.29A 3pfgA-4kriA:
16.1		 3pfgA-4kriA:
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  36
GLY A  34
MET A  93
PHE A  19
HIS A 291
 None
 1.36A 3pfgA-4kwsA:
undetectable		 3pfgA-4kwsA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		6 TYR A  16
GLY A  62
MET A  87
ASP A 107
SER A 126
HIS A 129
 SAM  A 301 ( 4.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.9A)
 0.82A 3pfgA-4mwzA:
15.6		 3pfgA-4mwzA:
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 ALA A 202
GLY A 200
MET A 170
PHE A 194
SER A 247
 None
 1.20A 3pfgA-4n03A:
4.5		 3pfgA-4n03A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		5 TYR A  23
GLY A  82
HIS A  41
SER A 104
ASP A 130
 SAH  A 301 (-3.0A)
SAH  A 301 (-2.9A)
SAH  A 301 ( 3.6A)
None
SAH  A 301 (-2.7A)
 1.34A 3pfgA-4pneA:
15.3		 3pfgA-4pneA:
25.77
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.
4psu ALPHA/BETA HYDROLASE

(Rhodopseudomonas
palustris) 		PF12697
(Abhydrolase_6) 		5 GLY A 117
HIS A  77
LEU A 138
SER A 137
HIS A 271
 None
 1.31A 3pfgA-4psuA:
2.2		 3pfgA-4psuA:
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		5 GLY A  72
SER A  93
MET A  96
ASP A 120
HIS A 139
 SAH  A 301 (-3.6A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.8A)
None
 0.75A 3pfgA-4qdkA:
16.8		 3pfgA-4qdkA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qla JUVENILE HORMONE
EPOXIDE HYDROLASE

(Bombyx mori) 		PF06441
(EHN) 		5 GLY A 226
HIS A 152
LEU A 398
MET A 251
ASP A 443
 None
 1.39A 3pfgA-4qlaA:
undetectable		 3pfgA-4qlaA:
20.36
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 GLY B  57
SER B  79
MET B  82
ASP B  99
MET B 100
 SAM  B 301 (-3.3A)
EDO  B 310 ( 3.0A)
SAM  B 301 (-4.4A)
SAM  B 301 (-3.7A)
SAM  B 301 (-4.2A)
 0.31A 3pfgA-4qtuB:
17.9		 3pfgA-4qtuB:
24.06
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 TYR B  14
GLY B  57
SER B  79
ASP B  99
MET B 100
 None
SAM  B 301 (-3.3A)
EDO  B 310 ( 3.0A)
SAM  B 301 (-3.7A)
SAM  B 301 (-4.2A)
 0.95A 3pfgA-4qtuB:
17.9		 3pfgA-4qtuB:
24.06
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.
4yjf D-AMINO-ACID OXIDASE

(Sus scrofa) 		PF01266
(DAO) 		5 TYR B  74
ALA B 323
GLY B 321
HIS B 311
SER B  14
 None
 1.25A 3pfgA-4yjfB:
3.6		 3pfgA-4yjfB:
24.30
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.
4z3n PUTATIVE DRUG/SODIUM
ANTIPORTER

(Escherichia
coli) 		PF01554
(MatE) 		5 ALA A 446
GLY A 442
HIS A 413
LEU A 448
SER A 389
 None
None
OLC  A 501 (-4.2A)
OLC  A 505 ( 4.7A)
None
 1.05A 3pfgA-4z3nA:
undetectable		 3pfgA-4z3nA:
21.31
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.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 144
GLY A  63
HIS A  61
MET A  32
ASP A 139
 None
None
ZN  A 401 (-3.3A)
None
None
 1.31A 3pfgA-4z6kA:
8.3		 3pfgA-4z6kA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 845
SER A 849
ASP A 464
PHE A 479
SER A 480
 None
 1.35A 3pfgA-5a0zA:
undetectable		 3pfgA-5a0zA:
15.89
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.
5all SOLUBLE EPOXIDE
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		5 GLY A 337
LEU A 358
SER A 357
PHE A 267
HIS A 524
 None
None
None
None
II6  A1552 (-3.6A)
 1.39A 3pfgA-5allA:
undetectable		 3pfgA-5allA:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		9 ALA A  53
GLY A  55
HIS A  59
LEU A  75
SER A  76
MET A  79
ASP A  96
MET A  97
SER A 115
 SAH  A 301 (-3.3A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.6A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.5A)
 0.72A 3pfgA-5bszA:
32.3		 3pfgA-5bszA:
42.15
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 5 TYR B  92
ALA B 261
HIS B 288
PHE B 259
SER B 418
 None
 1.39A 3pfgA-5cyrB:
undetectable		 3pfgA-5cyrB:
17.89
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.
5dwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 TYR C 307
ALA C 178
GLY C 176
SER C 304
MET C 300
 None
 1.28A 3pfgA-5dwzC:
undetectable		 3pfgA-5dwzC:
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.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		5 GLY A  87
SER A 109
ASP A 135
SER A 154
HIS A 157
 SAH  A 301 (-3.1A)
None
SAH  A 301 (-3.6A)
SAH  A 301 (-4.4A)
SAH  A 301 ( 4.3A)
 0.86A 3pfgA-5gm2A:
16.2		 3pfgA-5gm2A:
26.75
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.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		5 ALA A  67
GLY A  69
SER A  90
MET A  93
SER A 135
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.3A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
 0.46A 3pfgA-5h02A:
20.6		 3pfgA-5h02A:
22.90
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.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		5 GLY A  69
SER A  90
MET A  93
ASP A 114
SER A 135
 SAH  A 301 (-3.3A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.1A)
 0.74A 3pfgA-5h02A:
20.6		 3pfgA-5h02A:
22.90
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.
5inw PUTATIVE
ANGIOTENSINOGEN

(Lampetra
fluviatilis) 		PF00079
(Serpin) 		5 GLY A 338
HIS A 342
LEU A 336
SER A 335
ASP A 289
 None
 1.22A 3pfgA-5inwA:
undetectable		 3pfgA-5inwA:
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.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		5 ALA A 145
GLY A 147
LEU A 434
PHE A  22
SER A  23
 None
FAD  A 601 (-3.4A)
None
FAD  A 601 (-4.9A)
FAD  A 601 (-2.7A)
 1.38A 3pfgA-5j7xA:
undetectable		 3pfgA-5j7xA:
18.77
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.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 ALA A  47
GLY A  49
SER A  71
MET A  74
ASP A  95
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 4.8A)
SAH  A 301 ( 4.5A)
SAH  A 301 (-3.7A)
 0.43A 3pfgA-5je3A:
18.7		 3pfgA-5je3A:
26.96
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.
5kut MITOCHONDRIAL RHO
GTPASE 2

(Homo sapiens) 		no annotation 5 GLY A 531
LEU A 528
ASP A 527
PHE A 501
SER A 523
 None
GDP  A 601 (-4.1A)
GDP  A 601 (-3.0A)
None
None
 1.32A 3pfgA-5kutA:
undetectable		 3pfgA-5kutA:
25.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		5 ALA A 183
GLY A 185
LEU A 192
SER A 193
SER A 235
 None
 1.34A 3pfgA-5lgxA:
undetectable		 3pfgA-5lgxA:
23.18
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.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		5 GLY A  49
LEU A  71
SER A  72
MET A  75
ASP A  96
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.5A)
 0.48A 3pfgA-5m58A:
7.8		 3pfgA-5m58A:
23.97
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.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		5 HIS A 117
LEU A  71
SER A  72
MET A  75
ASP A  96
 None
SAH  A 301 (-3.9A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.5A)
 1.27A 3pfgA-5m58A:
7.8		 3pfgA-5m58A:
23.97
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.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		5 GLY A  49
LEU A  71
SER A  72
MET A  75
ASP A  96
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.0A)
SAH  A 301 (-3.5A)
 0.45A 3pfgA-5mgzA:
7.5		 3pfgA-5mgzA:
26.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tja MUCOLIPIN-1

(Homo sapiens) 		no annotation 5 TYR A 170
GLY A 173
LEU A 228
PHE A 182
HIS A 267
 None
 1.32A 3pfgA-5tjaA:
2.9		 3pfgA-5tjaA:
25.09
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.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		5 TYR A 141
ALA A 401
GLY A 399
HIS A  21
LEU A 406
 None
 1.35A 3pfgA-5u7wA:
undetectable		 3pfgA-5u7wA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 7 TYR A 246
GLY A 292
LEU A 313
SER A 314
MET A 317
ASP A 338
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.1A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
SAH  A 703 (-4.0A)
 0.57A 3pfgA-5wp4A:
16.1		 3pfgA-5wp4A:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 TYR A 246
GLY A 292
SER A 314
MET A 317
PHE A 258
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
None
 1.33A 3pfgA-5wp4A:
16.1		 3pfgA-5wp4A:
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 6 GLY A 292
LEU A 313
SER A 314
MET A 317
ASP A 338
HIS A 360
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.9A)
None
SAH  A 501 (-4.0A)
SAH  A 501 (-3.4A)
SAH  A 501 (-4.0A)
 0.43A 3pfgA-5wp5A:
16.4		 3pfgA-5wp5A:
19.76
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.
5wqn PROBABLE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00106
(adh_short) 		5 ALA A 138
GLY A 152
LEU A 144
MET A 148
HIS A 180
 None
 1.16A 3pfgA-5wqnA:
7.9		 3pfgA-5wqnA:
22.73
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.
6cjb CYSTATHIONINE
BETA-LYASE

(Legionella
pneumophila) 		no annotation 5 GLY A 236
LEU A 242
ASP A 206
PHE A  74
SER A 209
 None
 1.32A 3pfgA-6cjbA:
2.2		 3pfgA-6cjbA:
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.
6cjb CYSTATHIONINE
BETA-LYASE

(Legionella
pneumophila) 		no annotation 5 TYR A  58
GLY A 236
LEU A 242
ASP A 206
PHE A  74
 None
 1.23A 3pfgA-6cjbA:
2.2		 3pfgA-6cjbA:
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.
6d0p PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 ALA A  99
GLY A  65
MET A 135
MET A  97
PHE A 263
 None
 1.39A 3pfgA-6d0pA:
undetectable		 3pfgA-6d0pA:
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.
6dbr -

(-) 		no annotation 5 ALA B  76
GLY B 139
HIS B 207
LEU B  72
HIS B  93
 None
 1.08A 3pfgA-6dbrB:
undetectable		 3pfgA-6dbrB:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 TYR A  81
GLY A 139
SER A 162
ASP A 187
HIS A 208
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.1A)
None
SAH  A 501 (-4.2A)
SAH  A 501 ( 4.6A)
 0.97A 3pfgA-6gkvA:
13.3		 3pfgA-6gkvA:
undetectable