SIMILAR PATTERNS OF AMINO ACIDS FOR 2DPM_A_SAMA300_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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A 141
PHE A 259
GLY A 144
GLY A 145
PRO A 187
 None
EST  A 350 (-4.0A)
EST  A 350 (-3.4A)
None
EST  A 350 (-4.1A)
 1.11A 2dpmA-1a27A:
5.3		 2dpmA-1a27A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1czf POLYGALACTURONASE II

(Aspergillus
niger) 		PF00295
(Glyco_hydro_28) 		5 TRP A 115
GLY A 176
GLY A 175
ASN A 168
ASP A 202
 None
 1.02A 2dpmA-1czfA:
undetectable		 2dpmA-1czfA:
20.60
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 PHE A1007
GLY A 994
GLY A 995
ALA A 539
PRO A 907
 None
 1.14A 2dpmA-1f4hA:
undetectable		 2dpmA-1f4hA:
13.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A 141
PHE A 259
GLY A 144
GLY A 145
PRO A 187
 None
EST  A 350 (-4.4A)
EST  A 350 ( 4.5A)
None
EST  A 350 (-4.3A)
 1.13A 2dpmA-1fdwA:
5.4		 2dpmA-1fdwA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fno PEPTIDASE T

(Salmonella
enterica) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 389
LYS A 392
GLY A 199
GLY A 374
ALA A 393
 None
 1.15A 2dpmA-1fnoA:
undetectable		 2dpmA-1fnoA:
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.
1fuj PR3

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 140
PHE A  41
GLY A 193
GLY A 142
ALA A 152
 None
 1.03A 2dpmA-1fujA:
undetectable		 2dpmA-1fujA:
19.61
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.
1gso PROTEIN (GLYCINAMIDE
RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 368
GLY A 381
ALA A 338
ASN A   8
PHE A 365
 None
 1.07A 2dpmA-1gsoA:
3.2		 2dpmA-1gsoA:
21.27
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 GLY A 351
GLY A 354
GLY A 353
ALA A 257
ASP A 335
 None
 1.14A 2dpmA-1hkkA:
undetectable		 2dpmA-1hkkA:
21.64
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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		5 TRP A  92
GLY A 155
GLY A 154
ASN A 147
ASP A 181
 None
 1.04A 2dpmA-1ia5A:
undetectable		 2dpmA-1ia5A:
23.01
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.
1nhc POLYGALACTURONASE I

(Aspergillus
niger) 		PF00295
(Glyco_hydro_28) 		5 TRP A 120
GLY A 182
GLY A 181
ASN A 174
ASP A 208
 None
None
None
None
SO4  A2711 ( 4.1A)
 0.97A 2dpmA-1nhcA:
undetectable		 2dpmA-1nhcA:
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.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		5 LYS A 227
PHE A 250
GLY A 252
ASP A  46
PRO A  67
 SAM  A 401 (-4.4A)
SAM  A 401 (-4.7A)
SAM  A 401 (-3.3A)
SAM  A 401 (-3.6A)
SAM  A 401 (-4.3A)
 1.08A 2dpmA-1nw5A:
2.3		 2dpmA-1nw5A:
21.94
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.
1op2 VENOM SERINE
PROTEINASE

(Deinagkistrodon
acutus) 		PF00089
(Trypsin) 		5 PHE A  40
GLY A 193
GLY A 192
PHE A  33
PHE A  34
 None
 1.12A 2dpmA-1op2A:
undetectable		 2dpmA-1op2A:
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 GLY A 775
GLY A 726
GLY A 725
ALA A 721
PRO A 785
 None
 0.90A 2dpmA-1qgrA:
undetectable		 2dpmA-1qgrA:
15.17
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.
1qot CHITIN BINDING
LECTIN, UEA-II

(Ulex europaeus) 		PF00139
(Lectin_legB) 		5 GLY A 106
PHE A 127
GLY A 216
GLY A 217
PHE A  90
 FUC  A 501 (-3.7A)
None
None
None
None
 1.16A 2dpmA-1qotA:
undetectable		 2dpmA-1qotA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY B 337
GLY B 230
GLY B 231
ASP B 192
PHE B 109
 None
 0.95A 2dpmA-1tqyB:
undetectable		 2dpmA-1tqyB:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tyg THIAZOLE
BIOSYNTHESIS PROTEIN
THIG
YJBS

(Bacillus
subtilis;
Bacillus
subtilis) 		PF05690
(ThiG)
PF02597
(ThiS) 		5 GLY A 118
PHE B  62
GLY B  64
GLY A 120
PRO A 170
 None
 1.10A 2dpmA-1tygA:
undetectable		 2dpmA-1tygA:
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.
1v71 HYPOTHETICAL PROTEIN
C320.14 IN
CHROMOSOME III

(Schizosaccharomyces
pombe) 		PF00291
(PALP) 		5 LYS A 166
GLY A 160
GLY A 162
ALA A 165
PHE A  23
 None
 1.14A 2dpmA-1v71A:
2.4		 2dpmA-1v71A:
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.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 118
GLY A 359
GLY A  95
ALA A  98
ASN A 321
 None
CSO  A  92 ( 4.2A)
None
None
None
 1.12A 2dpmA-1wl4A:
undetectable		 2dpmA-1wl4A:
19.65
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.
1yfj DNA ADENINE
METHYLASE

(Escherichia
virus T4) 		PF02086
(MethyltransfD12) 		5 GLY A   9
PHE A  32
GLY A  34
PHE A 157
PRO A 173
 None
SAH  A 401 (-4.2A)
SAH  A 401 (-3.2A)
SAH  A 401 (-4.8A)
SAH  A 401 (-4.0A)
 1.08A 2dpmA-1yfjA:
22.3		 2dpmA-1yfjA:
28.95
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.
1yfj DNA ADENINE
METHYLASE

(Escherichia
virus T4) 		PF02086
(MethyltransfD12) 		6 LYS A  11
PHE A  32
GLY A  34
GLY A  35
PHE A 157
PRO A 173
 SAH  A 401 (-4.8A)
SAH  A 401 (-4.2A)
SAH  A 401 (-3.2A)
SAH  A 401 (-3.4A)
SAH  A 401 (-4.8A)
SAH  A 401 (-4.0A)
 0.49A 2dpmA-1yfjA:
22.3		 2dpmA-1yfjA:
28.95
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 GLY A 234
GLY A 256
ALA A 177
PHE A 223
PRO A 203
 None
None
PQQ  A 801 (-2.9A)
None
None
 1.10A 2dpmA-1yiqA:
undetectable		 2dpmA-1yiqA:
18.15
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.
2azq CATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 GLY A  98
GLY A  97
PHE A 287
ASP A 286
PHE A 139
 None
 1.09A 2dpmA-2azqA:
undetectable		 2dpmA-2azqA:
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 PHE A 975
GLY A1087
ALA A1085
PHE A 965
ASN A 964
 None
 1.13A 2dpmA-2b5mA:
undetectable		 2dpmA-2b5mA:
13.42
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A  56
GLY A 478
GLY A 477
PHE A 408
PHE A 407
 None
 1.13A 2dpmA-2d0vA:
undetectable		 2dpmA-2d0vA:
18.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		8 GLY A  20
LYS A  21
GLY A  45
GLY A  46
ALA A  48
ASP A 177
PHE A 178
PRO A 195
 SAM  A 300 (-3.3A)
SAM  A 300 (-4.8A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
SAM  A 300 (-4.1A)
None
None
 1.45A 2dpmA-2dpmA:
43.8		 2dpmA-2dpmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		9 GLY A  20
LYS A  21
PHE A  43
GLY A  45
GLY A  47
PHE A  63
ASP A 177
PHE A 178
PRO A 196
 SAM  A 300 (-3.3A)
SAM  A 300 (-4.8A)
SAM  A 300 (-4.2A)
SAM  A 300 (-3.6A)
SAM  A 300 (-4.5A)
None
SAM  A 300 (-4.1A)
None
SAM  A 300 ( 4.1A)
 0.93A 2dpmA-2dpmA:
43.8		 2dpmA-2dpmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		8 TRP A  17
GLY A  19
PHE A  43
GLY A  45
PHE A  63
ASN A  64
ASP A 177
PHE A 178
 SAM  A 300 (-4.3A)
SAM  A 300 (-4.4A)
SAM  A 300 (-4.2A)
SAM  A 300 (-3.6A)
None
None
SAM  A 300 (-4.1A)
None
 0.89A 2dpmA-2dpmA:
43.8		 2dpmA-2dpmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		12 TRP A  17
GLY A  20
LYS A  21
PHE A  43
GLY A  45
GLY A  46
ALA A  48
PHE A  63
ASN A  64
ASP A 177
PHE A 178
PRO A 196
 SAM  A 300 (-4.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-4.8A)
SAM  A 300 (-4.2A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
None
None
SAM  A 300 (-4.1A)
None
SAM  A 300 ( 4.1A)
 0.03A 2dpmA-2dpmA:
43.8		 2dpmA-2dpmA:
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.
2egu CYSTEINE SYNTHASE

(Geobacillus
kaustophilus) 		PF00291
(PALP) 		5 GLY A 264
GLY A 263
ALA A 256
ASP A 206
PRO A 302
 None
 1.11A 2dpmA-2eguA:
undetectable		 2dpmA-2eguA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL
SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa;
Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 GLY A 267
GLY A 270
GLY A 269
ALA A 265
PHE B 284
 None
 1.15A 2dpmA-2fpgA:
undetectable		 2dpmA-2fpgA:
21.13
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.
2hi8 SULFATASE-MODIFYING
FACTOR 1

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		5 GLY X 332
GLY X 331
ALA X 348
ASN X 297
PHE X 158
 None
 1.09A 2dpmA-2hi8X:
undetectable		 2dpmA-2hi8X:
20.82
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.
2icg LIN2918 PROTEIN

(Listeria
innocua) 		PF14568
(SUKH_6) 		5 GLY A 116
PHE A 143
GLY A 119
PHE A  42
PHE A  49
 None
 1.01A 2dpmA-2icgA:
undetectable		 2dpmA-2icgA:
21.13
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.
2iik 3-KETOACYL-COA
THIOLASE,
PEROXISOMAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 149
GLY A 384
GLY A 126
ALA A 129
ASN A 346
 None
 1.06A 2dpmA-2iikA:
undetectable		 2dpmA-2iikA:
20.05
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.
2iq7 ENDOPOLYGALACTURONAS
E

(Colletotrichum
lupini) 		PF00295
(Glyco_hydro_28) 		5 TRP A 111
GLY A 174
GLY A 173
ASN A 166
ASP A 200
 None
 0.96A 2dpmA-2iq7A:
undetectable		 2dpmA-2iq7A:
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 212
GLY A 152
GLY A 151
ALA A 205
ASP A 241
 None
 1.13A 2dpmA-2ix4A:
undetectable		 2dpmA-2ix4A:
21.49
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.
2ml3 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		PF00353
(HemolysinCabind) 		5 GLY A  33
GLY A  30
GLY A  31
ALA A  50
ASP A  62
 CA  A 203 (-4.4A)
CA  A 203 (-4.4A)
CA  A 203 (-4.5A)
None
CA  A 204 ( 2.6A)
 1.10A 2dpmA-2ml3A:
undetectable		 2dpmA-2ml3A:
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.
2qna IMPORTIN SUBUNIT
BETA-1

(Homo sapiens) 		PF13513
(HEAT_EZ) 		5 GLY A 775
GLY A 726
GLY A 725
ALA A 721
PRO A 785
 None
 0.91A 2dpmA-2qnaA:
undetectable		 2dpmA-2qnaA:
17.91
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.
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY S 140
PHE S  41
GLY S 193
GLY S 142
ALA S 152
 None
 1.13A 2dpmA-2wpmS:
undetectable		 2dpmA-2wpmS:
21.16
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.
2wua ACETOACETYL COA
THIOLASE

(Helianthus
annuus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 162
GLY A 397
GLY A 139
ALA A 142
ASN A 359
 None
 1.07A 2dpmA-2wuaA:
undetectable		 2dpmA-2wuaA:
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.
2x7v PROBABLE
ENDONUCLEASE 4

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		5 PHE A  29
GLY A  26
GLY A  25
ALA A 269
PRO A  18
 None
 0.93A 2dpmA-2x7vA:
undetectable		 2dpmA-2x7vA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8e GALACTO-N-BIOSE/LACT
O-N-BIOSE I
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		5 GLY A 385
PHE A 304
GLY A 213
GLY A 216
PHE A 241
 None
 1.10A 2dpmA-2z8eA:
undetectable		 2dpmA-2z8eA:
21.33
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.
3afb PUTATIVE CHITINASE

(Pyrococcus
furiosus) 		no annotation 5 GLY A 489
PHE A 523
ALA A 527
ASN A 583
PHE A 550
 GOL  A   2 ( 3.7A)
None
None
None
None
 1.02A 2dpmA-3afbA:
undetectable		 2dpmA-3afbA:
23.89
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 PHE A1148
GLY A1150
GLY A1152
ASP A1193
PRO A1228
 SAM  A   1 (-4.9A)
SAM  A   1 ( 3.9A)
SAM  A   1 (-4.1A)
SAM  A   1 (-3.6A)
SAM  A   1 ( 4.2A)
 1.02A 2dpmA-3av6A:
5.4		 2dpmA-3av6A:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		5 PHE A 203
GLY A 205
GLY A 207
ASN A 225
ASP A 251
 ADN  A 401 (-4.9A)
ADN  A 401 ( 4.0A)
None
ADN  A 401 (-4.9A)
ADN  A 401 (-3.8A)
 1.10A 2dpmA-3ay0A:
10.3		 2dpmA-3ay0A:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLY A  82
ALA A 100
ASN A  44
PHE A  36
PRO A 113
 SAH  A 464 ( 4.6A)
None
None
None
None
 0.98A 2dpmA-3c3yA:
9.6		 2dpmA-3c3yA:
21.67
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.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLY A  76
GLY A  71
GLY A 463
ALA A 466
PHE A  65
 None
 1.10A 2dpmA-3cghA:
undetectable		 2dpmA-3cghA:
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.
3e1k GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Kluyveromyces
lactis) 		PF01408
(GFO_IDH_MocA) 		5 GLY A 187
GLY A 183
GLY A 184
ASN A 210
PRO A 260
 None
 1.16A 2dpmA-3e1kA:
5.0		 2dpmA-3e1kA:
20.21
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.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 PHE A 698
GLY A 700
GLY A 702
ASP A 747
PRO A 765
 ADP  A   3 (-4.5A)
ADP  A   3 (-3.5A)
None
ADP  A   3 (-3.4A)
ADP  A   3 (-3.3A)
 0.98A 2dpmA-3egiA:
11.1		 2dpmA-3egiA:
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.
3g4s 50S RIBOSOMAL
PROTEIN L6P

(Haloarcula
marismortui) 		PF00347
(Ribosomal_L6) 		5 TRP E  80
GLY E 135
GLY E  75
GLY E  79
ASN E  71
 None
None
None
None
G  02782 ( 3.5A)
 0.88A 2dpmA-3g4sE:
undetectable		 2dpmA-3g4sE:
18.48
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.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 PHE A 698
GLY A 700
GLY A 702
ASP A 747
PRO A 765
 SAH  A 854 (-4.3A)
SAH  A 854 (-3.3A)
SAH  A 854 (-4.4A)
SAH  A 854 (-3.6A)
SAH  A 854 (-3.8A)
 0.91A 2dpmA-3gdhA:
11.2		 2dpmA-3gdhA:
22.30
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.
3h8t HMUY

(Porphyromonas
gingivalis) 		PF14064
(HmuY) 		5 GLY A 187
GLY A  95
GLY A  94
PHE A  98
PRO A 111
 None
 1.09A 2dpmA-3h8tA:
undetectable		 2dpmA-3h8tA:
20.48
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.
3km2 SUPEROXIDE DISMUTASE
[CU-ZN],
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00080
(Sod_Cu) 		5 GLY A 127
LYS A 128
GLY A 138
PHE A  45
PRO A  74
 None
 1.14A 2dpmA-3km2A:
undetectable		 2dpmA-3km2A:
22.84
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.
3mcx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A 363
PHE A 358
GLY A 269
ASN A 370
PRO A 297
 None
 1.01A 2dpmA-3mcxA:
undetectable		 2dpmA-3mcxA:
20.99
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.
3mjf PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Yersinia pestis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 368
GLY A 381
ALA A 338
ASN A   8
PHE A 365
 None
SO4  A 508 ( 4.9A)
None
None
None
 1.11A 2dpmA-3mjfA:
3.7		 2dpmA-3mjfA:
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 563
GLY A 540
GLY A 537
ALA A 561
ASP A 512
 None
None
ZPR  A 702 (-3.3A)
ZPR  A 702 ( 4.6A)
None
 1.08A 2dpmA-3muoA:
undetectable		 2dpmA-3muoA:
16.86
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 PHE A1145
GLY A1147
GLY A1149
ASP A1190
PRO A1225
 SAH  A1601 (-4.4A)
SAH  A1601 (-3.5A)
SAH  A1601 ( 4.8A)
SAH  A1601 ( 4.7A)
SAH  A1601 (-4.2A)
 1.06A 2dpmA-3ptaA:
6.2		 2dpmA-3ptaA:
15.74
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.
3qz5 CO-TYPE NITRILE
HYDRATASE ALPHA
SUBUNIT

(Pseudomonas
putida) 		PF02979
(NHase_alpha) 		5 GLY A 200
GLY A 202
ASN A 108
ASP A 164
PRO A 143
 None
 1.05A 2dpmA-3qz5A:
undetectable		 2dpmA-3qz5A:
20.55
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.
3rxy NIF3 PROTEIN

(Sphaerobacter
thermophilus) 		no annotation 5 GLY A  67
GLY A  68
ALA A  27
ASN A 114
PRO A  46
 None
 1.01A 2dpmA-3rxyA:
undetectable		 2dpmA-3rxyA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 114
GLY A 353
GLY A  91
ALA A  94
ASN A 315
 None
CSO  A  88 ( 4.4A)
None
None
None
 1.00A 2dpmA-3ss6A:
undetectable		 2dpmA-3ss6A:
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		5 GLY A 237
PHE A 205
GLY A 242
GLY A 241
PHE A 214
 None
None
None
None
GOL  A 719 (-4.4A)
 0.98A 2dpmA-3ucqA:
undetectable		 2dpmA-3ucqA:
16.69
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.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 GLY A 260
GLY A 227
ALA A 225
PHE A 236
PRO A 282
 None
 1.09A 2dpmA-3ufbA:
7.8		 2dpmA-3ufbA:
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		5 GLY A 179
PHE A 413
GLY A 335
PHE A 416
PRO A 162
 None
 1.07A 2dpmA-4ainA:
undetectable		 2dpmA-4ainA:
16.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gom DNA ADENINE
METHYLASE

(Escherichia
coli) 		PF02086
(MethyltransfD12) 		5 TRP D  10
GLY D  12
PHE D  35
ASN D  56
PRO D 183
 0Y0  D 301 (-4.5A)
None
0Y0  D 301 (-4.4A)
None
0Y0  D 301 (-4.0A)
 1.08A 2dpmA-4gomD:
28.2		 2dpmA-4gomD:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gom DNA ADENINE
METHYLASE

(Escherichia
coli) 		PF02086
(MethyltransfD12) 		5 TRP D  10
PHE D  35
GLY D  37
ASN D  56
PRO D 183
 0Y0  D 301 (-4.5A)
0Y0  D 301 (-4.4A)
0Y0  D 301 ( 3.8A)
None
0Y0  D 301 (-4.0A)
 0.31A 2dpmA-4gomD:
28.2		 2dpmA-4gomD:
31.29
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.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		5 GLY A 558
GLY A 548
GLY A 550
ALA A 520
ASN A 415
 None
 1.10A 2dpmA-4hzhA:
undetectable		 2dpmA-4hzhA:
19.85
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.
4j57 THIOREDOXIN
REDUCTASE 2

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 356
GLY A  53
GLY A  52
ALA A 372
PHE A  70
 FAD  A 601 (-3.2A)
None
FAD  A 601 (-3.4A)
None
None
 1.12A 2dpmA-4j57A:
undetectable		 2dpmA-4j57A:
20.56
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.
4l3f INTERNALIN K

(Listeria
monocytogenes) 		no annotation 5 GLY A 230
LYS A 231
PHE A 203
GLY A 205
ALA A 183
 None
 1.10A 2dpmA-4l3fA:
undetectable		 2dpmA-4l3fA:
19.61
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.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		5 GLY A 123
PHE A  26
GLY A 177
GLY A 125
ALA A 134
 None
 1.08A 2dpmA-4m7gA:
undetectable		 2dpmA-4m7gA:
19.87
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 116
GLY A 356
GLY A  93
ALA A  96
ASN A 318
 None
 1.01A 2dpmA-4nzsA:
undetectable		 2dpmA-4nzsA:
19.04
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.
4puc SUSD HOMOLOG

(Bacteroides
uniformis) 		PF12741
(SusD-like) 		5 GLY A  78
GLY A  73
GLY A 454
ALA A 457
PHE A  67
 None
 1.10A 2dpmA-4pucA:
undetectable		 2dpmA-4pucA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rqu ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 213
GLY A 182
GLY A 209
ALA A 211
PHE A 321
 None
 1.15A 2dpmA-4rquA:
3.8		 2dpmA-4rquA:
23.76
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 119
GLY A 353
GLY A  96
ALA A  99
ASN A 315
 None
 1.09A 2dpmA-4ubtA:
undetectable		 2dpmA-4ubtA:
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.
4whx BRANCHED-CHAIN-AMINO
-ACID TRANSAMINASE

(Burkholderia
pseudomallei) 		PF01063
(Aminotran_4) 		5 GLY A 279
GLY A 274
GLY A 275
ALA A 277
ASP A 245
 None
 0.97A 2dpmA-4whxA:
undetectable		 2dpmA-4whxA:
22.42
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 PHE A1145
GLY A1147
GLY A1149
ASP A1190
PRO A1225
 SAH  A1706 (-4.8A)
SAH  A1706 (-3.2A)
SAH  A1706 ( 4.3A)
SAH  A1706 (-3.3A)
SAH  A1706 ( 4.7A)
 0.95A 2dpmA-4wxxA:
6.4		 2dpmA-4wxxA:
13.10
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.
4z7f FOLATE ECF
TRANSPORTER

(Enterococcus
faecalis) 		PF12822
(ECF_trnsprt) 		5 GLY A  92
PHE A  41
GLY A  88
ALA A  56
PHE A  39
 None
 1.14A 2dpmA-4z7fA:
undetectable		 2dpmA-4z7fA:
19.01
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.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		5 GLY A 543
PHE A 124
GLY A 127
GLY A 128
PHE A 117
 None
 1.16A 2dpmA-5a29A:
undetectable		 2dpmA-5a29A:
19.79
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.
5a8z NEUTROPHIL ELASTASE

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 140
PHE A  41
GLY A 193
GLY A 142
ALA A 152
 None
 1.09A 2dpmA-5a8zA:
undetectable		 2dpmA-5a8zA:
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.
5bq3 RHAMNOSE ABC
TRANSPORTER,
RHAMNOSE-BINDING
PROTEIN

(Actinomyces
odontolyticus) 		PF13407
(Peripla_BP_4) 		5 GLY A 295
GLY A  67
GLY A  68
ALA A  72
PRO A  54
 None
 0.86A 2dpmA-5bq3A:
undetectable		 2dpmA-5bq3A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 116
GLY A 366
GLY A  93
ALA A  96
ASN A 325
 None
 1.08A 2dpmA-5bz4A:
undetectable		 2dpmA-5bz4A:
19.08
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 PHE A 187
GLY A 189
GLY A 191
ASP A 235
PRO A 256
 SAM  A 400 (-4.7A)
SAM  A 400 (-3.3A)
None
SAM  A 400 (-3.4A)
SAM  A 400 (-4.2A)
 1.07A 2dpmA-5e72A:
11.3		 2dpmA-5e72A:
23.51
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.
5e7t MINOR STRUCTURAL
PROTEIN 5

(Lactococcus
phage Tuc2009) 		no annotation 5 GLY B 164
GLY B 171
GLY B  60
ALA B  63
ASN B  98
 None
 1.15A 2dpmA-5e7tB:
undetectable		 2dpmA-5e7tB:
24.92
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 PHE A 975
GLY A 996
ALA A1085
PHE A 965
ASN A 964
 None
 1.14A 2dpmA-5fqdA:
undetectable		 2dpmA-5fqdA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 PHE A 975
GLY A1087
ALA A1085
PHE A 965
ASN A 964
 None
 1.09A 2dpmA-5fqdA:
undetectable		 2dpmA-5fqdA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 GLY A 332
PHE A 326
GLY A 328
GLY A 329
ALA A 338
 None
 0.86A 2dpmA-5g0qA:
undetectable		 2dpmA-5g0qA:
20.25
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.
5gm3 ENDOGLUCANASE-1

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		5 GLY A  93
PHE A 204
GLY A 206
GLY A 207
ALA A 209
 None
 1.14A 2dpmA-5gm3A:
undetectable		 2dpmA-5gm3A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		5 PHE A1148
GLY A1150
GLY A1152
ASP A1193
PRO A1228
 SAH  A1701 (-4.8A)
SAH  A1701 (-3.5A)
SAH  A1701 (-3.8A)
SAH  A1701 (-3.7A)
SAH  A1701 ( 4.5A)
 0.97A 2dpmA-5gutA:
6.9		 2dpmA-5gutA:
15.56
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.
5hvn 3-DEHYDROQUINATE
SYNTHASE

(Francisella
tularensis) 		PF01761
(DHQ_synthase) 		5 GLY A 246
GLY A 269
GLY A 271
ALA A 275
PHE A 300
 CL  A 402 (-3.7A)
None
None
CL  A 402 ( 4.4A)
None
 1.11A 2dpmA-5hvnA:
undetectable		 2dpmA-5hvnA:
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 GLY A 454
ALA A 456
PHE A 471
ASP A 470
PRO A 381
 None
 1.10A 2dpmA-5ikpA:
undetectable		 2dpmA-5ikpA:
16.59
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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		5 GLY A 123
PHE A 115
GLY A 117
GLY A 118
PHE A 186
 None
 1.05A 2dpmA-5mifA:
undetectable		 2dpmA-5mifA:
21.47
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.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		5 GLY A 265
GLY A 264
ALA A 281
ASN A 226
PHE A  88
 None
CA  A 407 ( 3.7A)
None
None
None
 1.13A 2dpmA-5nyyA:
undetectable		 2dpmA-5nyyA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 389
PHE A 426
GLY A 424
GLY A 423
PHE A 399
 None
 1.02A 2dpmA-5t88A:
undetectable		 2dpmA-5t88A:
19.26
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.
5tzb D-AMINOPEPTIDASE

(Burkholderia
sp. LK4) 		PF03576
(Peptidase_S58) 		5 GLY A 176
GLY A 162
GLY A 161
ALA A 332
ASN A  35
 None
 1.09A 2dpmA-5tzbA:
undetectable		 2dpmA-5tzbA:
19.90
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.
5tzy FREE FATTY ACID
RECEPTOR
1,ENDOLYSIN,FREE
FATTY ACID RECEPTOR
1

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 GLY A 159
GLY A 148
ALA A 146
ASN A 155
PRO A 168
 None
 1.06A 2dpmA-5tzyA:
undetectable		 2dpmA-5tzyA:
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 GLY A 133
GLY A 135
ASN A 154
ASP A 179
PRO A 196
 SAH  A 414 (-2.8A)
None
None
SAH  A 414 (-2.9A)
SAH  A 414 ( 3.2A)
 1.15A 2dpmA-5u4tA:
10.2		 2dpmA-5u4tA:
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.
5unn NADPH-DEPENDENT
GLYOXYLATE/HYDROXYPY
RUVATE REDUCTASE

(Sinorhizobium
meliloti) 		PF02826
(2-Hacid_dh_C) 		5 GLY A 250
PHE A 229
GLY A 254
GLY A 253
ALA A 226
 None
None
GOL  A 401 ( 4.2A)
GOL  A 401 (-4.8A)
None
 1.05A 2dpmA-5unnA:
3.7		 2dpmA-5unnA:
23.15
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.
5yac TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5B

(Pyrococcus
abyssi) 		PF02475
(Met_10) 		5 PHE A 190
GLY A 192
GLY A 194
ASN A 213
ASP A 238
 None
 1.08A 2dpmA-5yacA:
10.4		 2dpmA-5yacA:
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.
6bj9 ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 5 PHE A  55
GLY A  57
GLY A 117
ALA A 254
ASN A  88
 None
 1.15A 2dpmA-6bj9A:
undetectable		 2dpmA-6bj9A:
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 6 GLY A 235
GLY A 281
GLY A 280
ALA A 248
ASP A 547
PHE A 552
 None
 1.47A 2dpmA-6f72A:
undetectable		 2dpmA-6f72A:
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.
6fhs RUVB-LIKE HELICASE
INO80

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation 		5 GLY A 199
GLY A 253
GLY A 254
ASP A 243
PRO G1282
 None
 1.07A 2dpmA-6fhsA:
undetectable		 2dpmA-6fhsA:
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.
6gbc MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1

(Arabidopsis
thaliana) 		no annotation 5 GLY A 199
GLY A 266
GLY A 267
ASN A 325
PHE A 333
 MG  A 502 ( 4.3A)
AMP  A 501 (-3.4A)
AMP  A 501 (-3.9A)
AMP  A 501 ( 2.8A)
None
 1.14A 2dpmA-6gbcA:
undetectable		 2dpmA-6gbcA:
undetectable