SIMILAR PATTERNS OF AMINO ACIDS FOR 3QXY_A_SAMA6734_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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 ALA A 156
GLY A 157
TYR A  80
ALA A 116
PHE A 214
 EPE  A 455 (-3.8A)
None
None
None
EPE  A 455 (-4.8A)
 1.11A 3qxyA-1evqA:
undetectable		 3qxyA-1evqA:
20.44
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.
1gve AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 VAL A 281
ALA A 280
TYR A 107
TYR A 164
PHE A 190
 None
 1.17A 3qxyA-1gveA:
undetectable		 3qxyA-1gveA:
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 ALA A 161
GLY A 162
TYR A  85
ALA A 121
PHE A 218
 EPE  A 455 (-3.4A)
None
None
None
EPE  A 455 ( 4.9A)
 1.17A 3qxyA-1jjiA:
undetectable		 3qxyA-1jjiA:
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.
1mt6 SET9

(Homo sapiens) 		PF00856
(SET)
PF02493
(MORN) 		5 ALA A 226
GLY A 227
ASN A 296
HIS A 297
TYR A 335
 SAH  A   1 (-3.8A)
SAH  A   1 ( 4.0A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.4A)
 0.91A 3qxyA-1mt6A:
6.3		 3qxyA-1mt6A:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 160
TYR A 204
ASN A 241
HIS A 242
TYR A 283
 SAH  A 319 ( 4.6A)
SAH  A 319 (-4.0A)
SAH  A 319 (-3.6A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
 0.77A 3qxyA-1pegA:
5.6		 3qxyA-1pegA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 469
GLY A 381
TYR A 382
ALA A 352
LEU A 512
 None
 1.12A 3qxyA-1v7vA:
undetectable		 3qxyA-1v7vA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		5 VAL A 136
ALA A 194
GLY A 195
LEU A 184
TYR A 180
 None
 1.20A 3qxyA-1wcgA:
undetectable		 3qxyA-1wcgA:
21.81
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.
2bhm TYPE IV SECRETION
SYSTEM PROTEIN VIRB8

(Brucella suis) 		PF04335
(VirB8) 		5 VAL A 163
TYR A 117
TYR A 141
TYR A 229
TYR A 110
 None
 1.13A 3qxyA-2bhmA:
undetectable		 3qxyA-2bhmA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bp1 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 VAL A 314
ALA A 313
TYR A 140
TYR A 197
PHE A 223
 None
 1.21A 3qxyA-2bp1A:
undetectable		 3qxyA-2bp1A:
23.64
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 ALA A 155
GLY A 156
TYR A  79
ALA A 115
PHE A 214
 None
 1.17A 3qxyA-2c7bA:
undetectable		 3qxyA-2c7bA:
22.29
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.
2c91 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 VAL A 281
ALA A 280
TYR A 107
TYR A 164
PHE A 190
 None
 1.16A 3qxyA-2c91A:
undetectable		 3qxyA-2c91A:
23.55
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.
2clp AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 VAL A 314
ALA A 313
TYR A 140
TYR A 197
PHE A 223
 None
 1.16A 3qxyA-2clpA:
undetectable		 3qxyA-2clpA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 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 VAL A 174
ALA A 289
TYR A  32
ALA A 255
HIS A 272
 None
 0.98A 3qxyA-2eguA:
undetectable		 3qxyA-2eguA:
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 ALA A 194
GLY A 195
TYR A 175
ALA A  61
TYR A  60
 None
 1.16A 3qxyA-2fj0A:
undetectable		 3qxyA-2fj0A:
21.82
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.
2g46 PBCV-1 HISTONE
H3-LYS 27
METHYLTRANSFERASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00856
(SET) 		5 GLY A  15
TYR A  16
ASN A  69
HIS A  70
TYR A 105
 None
SAH  A 301 (-4.7A)
SAH  A 301 (-3.0A)
SAH  A 301 (-4.8A)
MLZ  C 215 (-3.7A)
 1.14A 3qxyA-2g46A:
6.7		 3qxyA-2g46A:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		6 GLY A  81
ASN A 242
HIS A 243
TYR A 287
TYR A 300
PHE A 302
 SAM  A 801 (-3.7A)
SAM  A 801 (-2.9A)
SAM  A 801 (-4.9A)
SAM  A 801 (-4.8A)
None
SAM  A 801 (-3.9A)
 0.76A 3qxyA-2h21A:
29.3		 3qxyA-2h21A:
25.81
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.
2irp PUTATIVE ALDOLASE
CLASS 2 PROTEIN
AQ_1979

(Aquifex
aeolicus) 		PF00596
(Aldolase_II) 		5 ALA A 186
GLY A 180
TYR A  88
HIS A  99
LEU A 176
 None
 1.17A 3qxyA-2irpA:
undetectable		 3qxyA-2irpA:
17.47
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		5 ALA A 282
GLY A  16
ALA A 459
HIS A 437
LEU A 436
 None
FAD  A1466 (-3.2A)
None
None
None
 1.19A 3qxyA-2ivdA:
undetectable		 3qxyA-2ivdA:
24.37
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.
2jbm NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Homo sapiens) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 VAL A 136
ALA A 159
GLY A 158
ALA A 278
LEU A 258
 None
 1.13A 3qxyA-2jbmA:
undetectable		 3qxyA-2jbmA:
23.67
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.
2o3i HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF06032
(DUF917) 		5 VAL A 138
ALA A 137
GLY A  24
ALA A 229
LEU A 364
 None
 1.21A 3qxyA-2o3iA:
undetectable		 3qxyA-2o3iA:
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.
2of5 LEUCINE-RICH REPEAT
AND DEATH
DOMAIN-CONTAINING
PROTEIN

(Homo sapiens) 		PF00531
(Death) 		5 VAL H 795
ALA H 796
GLY H 797
LEU H 787
PHE H 837
 None
 1.08A 3qxyA-2of5H:
undetectable		 3qxyA-2of5H:
14.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ooc HISTIDINE
PHOSPHOTRANSFERASE

(Caulobacter
vibrioides) 		PF01627
(Hpt) 		5 VAL A  65
ALA A  62
GLY A  60
ALA A  41
LEU A  30
 None
 1.15A 3qxyA-2oocA:
undetectable		 3qxyA-2oocA:
14.48
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 151
TYR A 193
ASN A 219
HIS A 220
TYR A 261
 SAM  A 304 (-3.5A)
SAM  A 304 (-4.2A)
SAM  A 304 (-3.3A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
 0.95A 3qxyA-2r3aA:
5.9		 3qxyA-2r3aA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vkn PROTEIN SSU81

(Saccharomyces
cerevisiae) 		PF00018
(SH3_1) 		5 VAL A  33
ALA A  43
ALA A  15
TYR A  13
PHE A  25
 None
 0.93A 3qxyA-2vknA:
undetectable		 3qxyA-2vknA:
7.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		6 ALA A 411
TYR A 410
ASN A 432
LEU A 340
TYR A 416
PHE A 269
 None
 1.41A 3qxyA-2wc7A:
undetectable		 3qxyA-2wc7A:
21.86
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.
2x9z CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		5 VAL A 298
LEU A 281
TYR A 234
TYR A 324
PHE A 322
 None
 1.19A 3qxyA-2x9zA:
undetectable		 3qxyA-2x9zA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
SULFITE REDUCTASE
BETA SUBUNIT

(Desulfomicrobium
norvegicum;
Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF12838
(Fer4_7) 		5 VAL A 102
ALA A 103
ALA B  26
LEU A 118
TYR A 110
 None
 1.19A 3qxyA-2xsjA:
undetectable		 3qxyA-2xsjA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 ALA A 158
GLY A 159
TYR A  82
ALA A 118
PHE A 217
 None
 1.09A 3qxyA-2yh2A:
undetectable		 3qxyA-2yh2A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z4t BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE

(Photobacterium
sp. JT-ISH-224) 		PF11477
(PM0188) 		5 GLY A 233
LEU A 304
TYR A 280
TYR A 290
PHE A 292
 GOL  A3004 (-3.3A)
None
None
None
None
 1.14A 3qxyA-2z4tA:
undetectable		 3qxyA-2z4tA:
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.
2zal L-ASPARAGINASE

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 VAL A  73
ALA A  72
GLY A  71
ALA A  84
ASN A  67
 None
None
NA  A 800 ( 4.4A)
None
None
 1.18A 3qxyA-2zalA:
undetectable		 3qxyA-2zalA:
16.83
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 ALA A 151
GLY A 152
TYR A  76
ALA A 112
PHE A 206
 DEP  A 304 (-3.5A)
None
None
None
DEP  A 304 (-4.5A)
 1.13A 3qxyA-3ailA:
undetectable		 3qxyA-3ailA:
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ALA B 183
GLY B 182
HIS B 195
LEU B 304
TYR B 194
 None
 1.18A 3qxyA-3aqcB:
undetectable		 3qxyA-3aqcB:
23.19
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 136
TYR A 178
ASN A 209
HIS A 210
TYR A 248
 SAH  A 305 (-3.8A)
SAH  A 305 (-4.0A)
SAH  A 305 (-3.4A)
None
SAH  A 305 (-4.9A)
 0.91A 3qxyA-3bo5A:
6.2		 3qxyA-3bo5A:
20.13
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.
3c17 L-ASPARAGINASE
PRECURSOR

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 VAL A  73
ALA A  72
GLY A  71
ALA A  84
ASN A  67
 None
None
NA  A   1 ( 4.4A)
None
None
 1.14A 3qxyA-3c17A:
undetectable		 3qxyA-3c17A:
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.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		5 ALA A 226
GLY A 227
ASN A 296
HIS A 297
TYR A 335
 SAH  A   1 (-3.7A)
SAH  A   1 ( 4.0A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.9A)
 0.84A 3qxyA-3cboA:
6.5		 3qxyA-3cboA:
20.40
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.
3dbk ELASTASE

(Pseudomonas
aeruginosa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 VAL A 272
ALA A 269
GLY A 268
ALA A 213
LEU A 236
 None
 1.14A 3qxyA-3dbkA:
undetectable		 3qxyA-3dbkA:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ele AMINO TRANSFERASE

([Eubacterium]
rectale) 		PF00155
(Aminotran_1_2) 		5 VAL A 275
ALA A 278
GLY A 279
ALA A 142
LEU A 240
 None
 1.17A 3qxyA-3eleA:
undetectable		 3qxyA-3eleA:
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.
3eza PHOSPHOTRANSFERASE
SYSTEM, ENZYME I

(Escherichia
coli) 		PF00391
(PEP-utilizers)
PF05524
(PEP-utilisers_N) 		5 VAL A 203
ALA A 183
GLY A 184
ALA A 128
HIS A 189
 None
 1.20A 3qxyA-3ezaA:
undetectable		 3qxyA-3ezaA:
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.
3fys PROTEIN DEGV

(Bacillus
subtilis) 		PF02645
(DegV) 		5 VAL A 161
ALA A 273
GLY A 272
ALA A 263
HIS A 268
 None
None
None
None
PLM  A 501 (-3.8A)
 1.00A 3qxyA-3fysA:
undetectable		 3qxyA-3fysA:
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A 693
ALA A 696
GLY A 697
ALA A 669
LEU A 643
 None
 1.13A 3qxyA-3ho8A:
undetectable		 3qxyA-3ho8A:
18.25
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 ALA A  16
GLY A   7
ALA A  43
LEU A  68
PHE A  45
 None
 1.18A 3qxyA-3ie1A:
undetectable		 3qxyA-3ie1A:
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.
3kda CFTR INHIBITORY
FACTOR (CIF)

(Pseudomonas
aeruginosa) 		no annotation 5 GLY D  92
ALA D  37
TYR D  38
LEU D 110
TYR D  48
 None
 1.14A 3qxyA-3kdaD:
undetectable		 3qxyA-3kdaD:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A  43
GLY A  44
TYR A  12
ALA A  27
TYR A  91
 None
 1.04A 3qxyA-3kdnA:
undetectable		 3qxyA-3kdnA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lup DEGV FAMILY PROTEIN

(Streptococcus
agalactiae) 		PF02645
(DegV) 		5 VAL A 161
ALA A 273
GLY A 272
TYR A  49
HIS A 268
 None
None
None
None
ELA  A 301 (-3.6A)
 1.11A 3qxyA-3lupA:
undetectable		 3qxyA-3lupA:
21.00
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		6 GLY A  18
ASN A 205
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 SFG  A 491 ( 4.2A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 0.55A 3qxyA-3n71A:
12.6		 3qxyA-3n71A:
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 102
TYR A 146
ASN A 169
HIS A 170
TYR A 207
 SAM  A 237 ( 3.7A)
SAM  A 237 (-4.1A)
SAM  A 237 (-3.3A)
SAM  A 237 (-4.7A)
None
 0.97A 3qxyA-3ooiA:
6.0		 3qxyA-3ooiA:
17.23
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.
3ope PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L

(Homo sapiens) 		PF00856
(SET) 		5 GLY A2151
TYR A2194
ASN A2217
HIS A2218
TYR A2255
 SAM  A   7 (-3.4A)
SAM  A   7 (-3.4A)
SAM  A   7 (-3.9A)
None
None
 0.86A 3qxyA-3opeA:
6.4		 3qxyA-3opeA:
19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		12 VAL A  72
ALA A  73
GLY A  74
TYR A  75
ALA A 222
TYR A 223
ASN A 251
HIS A 252
LEU A 253
TYR A 285
TYR A 297
PHE A 299
 SAM  A 484 (-4.6A)
SAM  A 484 (-3.3A)
SAM  A 484 (-3.4A)
None
SAM  A 484 (-3.5A)
SAM  A 484 (-3.6A)
SAM  A 484 (-3.1A)
None
None
SAM  A 484 (-4.8A)
None
SAM  A 484 (-3.5A)
 0.11A 3qxyA-3rc0A:
58.9		 3qxyA-3rc0A:
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.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.81A 3qxyA-3smtA:
28.6		 3qxyA-3smtA:
25.19
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.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ALA A 552
GLY A 549
ALA A 348
ASN A  99
HIS A  95
 None
 1.10A 3qxyA-3sqgA:
undetectable		 3qxyA-3sqgA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 VAL A 119
ALA A 118
GLY A  34
TYR A  33
LEU A  80
 None
 1.01A 3qxyA-3tqpA:
undetectable		 3qxyA-3tqpA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 VAL A 159
ALA A 160
GLY A  12
ALA A  24
LEU A 363
 None
None
FDA  A 547 (-3.4A)
None
None
 1.11A 3qxyA-3v76A:
undetectable		 3qxyA-3v76A:
23.38
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 ALA A 152
GLY A 147
ALA A 110
LEU A 250
PHE A 155
 None
 1.18A 3qxyA-3vglA:
undetectable		 3qxyA-3vglA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 TYR A 307
ALA A 330
ASN A 305
LEU A 303
TYR A 325
 AMP  A 601 (-4.9A)
None
AMP  A 601 (-3.6A)
None
None
 1.20A 3qxyA-3vnsA:
undetectable		 3qxyA-3vnsA:
22.96
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.
3w9v PHOSPHATE-BINDING
PROTEIN

(unidentified
prokaryotic
organism) 		PF12849
(PBP_like_2) 		5 VAL A  89
ALA A  90
GLY A 297
ALA A 248
LEU A  13
 None
 1.19A 3qxyA-3w9vA:
undetectable		 3qxyA-3w9vA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3waf IRON ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING PROTEIN

(Thermus
thermophilus) 		PF13416
(SBP_bac_8) 		5 ALA A 250
GLY A 249
ALA A 274
TYR A 268
PHE A 265
 None
 1.19A 3qxyA-3wafA:
undetectable		 3qxyA-3wafA:
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.
3wsb FARNESYLTRANSFERASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF00494
(SQS_PSY) 		5 VAL A 167
ALA A 168
GLY A 169
ALA A 260
TYR A 160
 RWZ  A 502 (-4.3A)
FPS  A 501 (-4.7A)
None
None
None
 1.14A 3qxyA-3wsbA:
undetectable		 3qxyA-3wsbA:
21.83
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.
3wxx AOPB

(Aeromonas
hydrophila) 		PF04888
(SseC) 		5 VAL B 241
ALA B 240
GLY B 244
ALA B  99
LEU B  86
 None
 1.21A 3qxyA-3wxxB:
undetectable		 3qxyA-3wxxB:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		5 VAL A  17
GLY A  47
TYR A  50
LEU A  81
TYR A  69
 FAD  A 601 (-4.4A)
FAD  A 601 (-3.4A)
None
None
FAD  A 601 (-4.3A)
 1.09A 3qxyA-3x0vA:
undetectable		 3qxyA-3x0vA:
21.24
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.
4akz TYPE IV SECRETION
SYSTEM PROTEIN VIRB8

(Brucella suis) 		PF04335
(VirB8) 		5 VAL A 163
TYR A 117
TYR A 141
TYR A 229
TYR A 110
 None
 1.13A 3qxyA-4akzA:
undetectable		 3qxyA-4akzA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1q HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9

(Mus musculus) 		PF00856
(SET) 		5 ALA A 256
GLY A 257
TYR A 291
ASN A 320
TYR A 357
 SAH  A 394 (-3.6A)
SAH  A 394 ( 3.7A)
SAH  A 394 (-3.9A)
SAH  A 394 (-3.4A)
None
 0.77A 3qxyA-4c1qA:
5.7		 3qxyA-4c1qA:
17.94
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.
4i9a QUINOLINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sus scrofa) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 VAL A 134
ALA A 157
GLY A 156
ALA A 276
LEU A 256
 None
 1.11A 3qxyA-4i9aA:
undetectable		 3qxyA-4i9aA:
23.70
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.
4jz2 SUPEROXIDE DISMUTASE

(Clostridioides
difficile) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 VAL A 101
ALA A 105
GLY A 106
LEU A  78
PHE A  32
 None
 1.15A 3qxyA-4jz2A:
undetectable		 3qxyA-4jz2A:
15.87
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.
4m7e PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 VAL A 332
ALA A 331
GLY A 330
TYR A 329
LEU A 345
 None
 1.17A 3qxyA-4m7eA:
undetectable		 3qxyA-4m7eA:
17.97
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.
4mi5 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2

(Homo sapiens) 		PF00856
(SET) 		5 VAL A 626
GLY A 628
ASN A 693
HIS A 694
TYR A 731
 None
 0.83A 3qxyA-4mi5A:
4.9		 3qxyA-4mi5A:
20.31
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.
4o6q HASAP

(Pseudomonas
aeruginosa) 		PF06438
(HasA) 		5 GLY A 139
TYR A 138
ALA A  57
TYR A  56
LEU A 119
 None
HEM  A 202 (-3.6A)
None
HEM  A 202 ( 3.7A)
None
 1.17A 3qxyA-4o6qA:
undetectable		 3qxyA-4o6qA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 GLY A 457
TYR A 493
ASN A 551
HIS A 552
TYR A 593
 SAH  A 801 (-3.6A)
SAH  A 801 (-4.0A)
SAH  A 801 (-3.2A)
None
None
 0.91A 3qxyA-4qeoA:
5.8		 3qxyA-4qeoA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qfw ACYL-COA
THIOESTERASE II

(Yersinia pestis) 		PF13622
(4HBT_3) 		5 GLY A  37
ALA A  46
TYR A  76
LEU A   9
TYR A  45
 None
 1.16A 3qxyA-4qfwA:
undetectable		 3qxyA-4qfwA:
20.90
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.
4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE

(Mycolicibacterium
smegmatis) 		PF04127
(DFP) 		5 VAL A 190
ALA A 230
GLY A 229
ALA A 398
LEU A 409
 None
 1.05A 3qxyA-4qjiA:
undetectable		 3qxyA-4qjiA:
22.67
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.
4r84 SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		5 GLY A 230
LEU A 300
TYR A 276
TYR A 286
PHE A 288
 None
 1.01A 3qxyA-4r84A:
undetectable		 3qxyA-4r84A:
22.83
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.
4r9v SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		5 GLY A 230
LEU A 300
TYR A 276
TYR A 286
PHE A 288
 None
 1.03A 3qxyA-4r9vA:
undetectable		 3qxyA-4r9vA:
22.38
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.
4rnh MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 TYR A1143
ALA A1078
ASN A1148
LEU A1152
PHE A1140
 None
 1.14A 3qxyA-4rnhA:
undetectable		 3qxyA-4rnhA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uhm OMEGA AMINO
ACID-PYRUVATE
AMINOTRANSFERASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 ALA A  65
GLY A  66
ALA A  73
ASN A 292
LEU A 342
 None
 1.16A 3qxyA-4uhmA:
undetectable		 3qxyA-4uhmA:
20.58
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.
4w2r ENHANCER OF ZESTE 2
POLYCOMB REPRESSIVE
COMPLEX 2 SUBUNIT

(Anolis
carolinensis) 		no annotation 5 VAL A 518
GLY A 520
ASN A 585
HIS A 586
TYR A 623
 None
CJD  A 708 (-3.6A)
CJD  A 708 (-3.5A)
None
None
 0.79A 3qxyA-4w2rA:
5.3		 3qxyA-4w2rA:
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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 VAL A 249
ALA A 250
GLY A 205
ALA A 254
LEU A 185
 None
 1.16A 3qxyA-4y9lA:
undetectable		 3qxyA-4y9lA:
22.82
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.
5bt8 PHOSPHOGLYCERATE
KINASE

(Acinetobacter
baumannii) 		PF00162
(PGK) 		5 VAL A 189
ALA A 190
GLY A 191
ALA A 356
LEU A 315
 None
 1.12A 3qxyA-5bt8A:
undetectable		 3qxyA-5bt8A:
22.06
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.
5evy SALICYLATE
HYDROXYLASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 ALA X  16
GLY X 328
ALA X 308
TYR X 356
LEU X  34
 FAD  X 501 (-2.8A)
None
None
None
None
 1.18A 3qxyA-5evyX:
undetectable		 3qxyA-5evyX:
23.29
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.
5fl7 ATP SYNTHASE SUBUNIT
ALPHA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 VAL A 412
ALA A 413
GLY A 414
ALA A 404
LEU A 515
 None
 1.18A 3qxyA-5fl7A:
undetectable		 3qxyA-5fl7A:
23.09
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.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		5 ALA A 174
GLY A 173
ALA A  47
HIS A 221
LEU A 220
 None
None
None
ACY  A 405 (-4.1A)
None
 1.08A 3qxyA-5gw8A:
undetectable		 3qxyA-5gw8A:
22.68
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A 162
GLY A 163
TYR A  86
ALA A 122
PHE A 218
 BAM  A 407 (-3.2A)
None
None
None
None
 1.06A 3qxyA-5jd4A:
undetectable		 3qxyA-5jd4A:
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		6 GLY A  18
ASN A 206
HIS A 207
TYR A 240
TYR A 258
PHE A 260
 SAM  A 501 ( 4.1A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 0.64A 3qxyA-5kjmA:
13.6		 3qxyA-5kjmA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ko8 NITROREDUCTASE

(Haliscomenobacter
hydrossis) 		PF00881
(Nitroreductase) 		5 ALA A 122
GLY A 199
HIS A 172
LEU A 195
PHE A 118
 None
None
FMN  A 301 ( 3.6A)
None
None
 1.16A 3qxyA-5ko8A:
undetectable		 3qxyA-5ko8A:
18.69
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.
5l9o DEOXYFRUCTOSYL-AMINO
ACID TRANSPORTER
PERIPLASMIC BINDING
PROTEIN

(Agrobacterium
fabrum) 		PF00497
(SBP_bac_3) 		5 VAL A 110
ALA A 111
GLY A  50
LEU A 243
TYR A 131
 None
 1.03A 3qxyA-5l9oA:
undetectable		 3qxyA-5l9oA:
17.63
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.
5ls6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2

(Homo sapiens) 		PF00856
(SET)
PF11616
(EZH2_WD-Binding) 		5 VAL A 621
ALA A 622
GLY A 623
ASN A 688
HIS A 689
 None
None
74D  A 809 ( 3.9A)
74D  A 809 (-3.0A)
None
 0.76A 3qxyA-5ls6A:
4.8		 3qxyA-5ls6A:
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.
5ls6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2

(Homo sapiens) 		PF00856
(SET)
PF11616
(EZH2_WD-Binding) 		5 VAL A 621
GLY A 623
ASN A 688
HIS A 689
TYR A 726
 None
74D  A 809 ( 3.9A)
74D  A 809 (-3.0A)
None
None
 0.91A 3qxyA-5ls6A:
4.8		 3qxyA-5ls6A:
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		5 GLY A1074
TYR A1118
ASN A1141
HIS A1142
TYR A1179
 SAM  A1304 ( 3.2A)
SAM  A1304 (-3.8A)
SAM  A1304 (-2.9A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
 0.90A 3qxyA-5lsuA:
6.1		 3qxyA-5lsuA:
18.20
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.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		5 VAL E 260
GLY E 264
TYR E  58
ASN E  70
LEU E  72
 None
 1.18A 3qxyA-5mmdE:
undetectable		 3qxyA-5mmdE:
18.81
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.
5nnp N-TERMINAL
ACETYLTRANSFERASE-LI
KE PROTEIN
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF12569
(NARP1)
PF13432
(TPR_16)
PF00583
(Acetyltransf_1) 		5 VAL B  46
ALA B  45
GLY B  63
TYR B  64
HIS A 254
 None
 1.19A 3qxyA-5nnpB:
undetectable		 3qxyA-5nnpB:
17.67
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.
5teg N-LYSINE
METHYLTRANSFERASE
KMT5A

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 227
TYR A 271
ASN A 298
HIS A 299
TYR A 336
 SAM  A 401 ( 4.0A)
SAM  A 401 (-4.1A)
SAM  A 401 (-3.2A)
None
SAM  A 401 (-4.8A)
 0.86A 3qxyA-5tegA:
7.5		 3qxyA-5tegA:
15.32
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.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 VAL A 206
ALA A 205
ALA A 151
LEU A 223
TYR A 254
 None
 1.18A 3qxyA-5thkA:
undetectable		 3qxyA-5thkA:
21.06
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A1049
TYR A1085
ASN A1112
HIS A1113
LEU A1114
TYR A1154
 SAM  A1505 ( 3.9A)
SAM  A1505 (-4.0A)
SAM  A1505 (-3.4A)
SAM  A1505 (-4.7A)
None
SAM  A1505 (-4.9A)
 1.23A 3qxyA-5tuyA:
7.1		 3qxyA-5tuyA:
18.38
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1137
TYR A1173
ASN A1200
HIS A1201
TYR A1242
 SAM  A3001 (-3.6A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
 0.65A 3qxyA-5vsdA:
7.3		 3qxyA-5vsdA:
17.82
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.
5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA

(Chaetomium
thermophilum) 		no annotation 5 GLY B 808
TYR B 809
ASN B 880
HIS B 881
TYR B 918
 A97  B8009 (-3.4A)
A97  B8009 (-4.7A)
A97  B8009 (-3.9A)
None
None
 0.62A 3qxyA-5wfcB:
5.5		 3qxyA-5wfcB:
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.
5wg6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,POLYCOMB
PROTEIN SUZ12
(E.C.2.1.1.43)
CHIMERA

(Homo sapiens) 		no annotation 5 VAL A 621
GLY A 623
ASN A 688
HIS A 689
TYR A 726
 None
A9G  A9009 ( 4.2A)
A9G  A9009 (-3.1A)
None
None
 0.97A 3qxyA-5wg6A:
5.1		 3qxyA-5wg6A:
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 VAL A  42
ALA A  41
GLY A  40
ALA A  99
LEU A  50
 SAM  A 301 (-3.5A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.8A)
None
None
 1.13A 3qxyA-5x7fA:
undetectable		 3qxyA-5x7fA:
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 VAL A  42
ALA A  41
GLY A  40
ALA A 102
LEU A  50
 SAM  A 301 (-3.5A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.8A)
None
None
 1.02A 3qxyA-5x7fA:
undetectable		 3qxyA-5x7fA:
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.
5xxg -

(-) 		no annotation 6 GLY A  15
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.48A 3qxyA-5xxgA:
12.1		 3qxyA-5xxgA:
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.
5xxg -

(-) 		no annotation 5 GLY A  17
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.19A 3qxyA-5xxgA:
12.1		 3qxyA-5xxgA:
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.
6byw GOXA

(Pseudoalteromonas
luteoviolacea) 		no annotation 5 VAL B 331
ALA B 352
ALA B 566
LEU B 295
TYR B 154
 None
 1.03A 3qxyA-6bywB:
undetectable		 3qxyA-6bywB:
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 5 GLY A1156
TYR A1200
ASN A1223
HIS A1224
TYR A1261
 SAM  A1301 (-3.6A)
SAM  A1301 (-3.9A)
SAM  A1301 (-3.2A)
None
SAM  A1301 (-4.9A)
 0.90A 3qxyA-6cenA:
5.9		 3qxyA-6cenA:
17.45