SIMILAR PATTERNS OF AMINO ACIDS FOR 4XUE_A_SAMA303_1

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.
1cp9 PENICILLIN G AMIDASE
PENICILLIN G AMIDASE

(Providencia
rettgeri;
Providencia
rettgeri) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 GLY A  13
TYR B 517
SER B 504
GLU B 544
 None
 1.34A 4xueA-1cp9A:
undetectable		 4xueA-1cp9A:
22.54
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.
1cwu ENOYL ACP REDUCTASE

(Brassica napus) 		PF13561
(adh_short_C2) 		4 GLY A 234
TYR A 253
SER A 254
ASP A 292
 None
 1.16A 4xueA-1cwuA:
6.8		 4xueA-1cwuA:
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.
1d7w MYELOPEROXIDASE
MYELOPEROXIDASE

(Homo sapiens;
Homo sapiens) 		PF03098
(An_peroxidase)
PF03098
(An_peroxidase) 		4 GLY C 432
SER C 425
GLU A  36
ASP C 475
 None
 1.25A 4xueA-1d7wC:
undetectable		 4xueA-1d7wC:
18.45
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.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		4 GLY A  42
TYR A  38
SER A  37
GLU A 183
 None
 1.21A 4xueA-1ii2A:
undetectable		 4xueA-1ii2A:
19.15
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		4 GLY A 119
TYR A  50
SER A  52
ASP A 120
 None
 1.32A 4xueA-1itxA:
undetectable		 4xueA-1itxA:
17.03
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.
1iv0 HYPOTHETICAL PROTEIN

(Thermus
thermophilus) 		PF03652
(RuvX) 		4 GLY A   9
TYR A  30
GLU A  10
ASP A   7
 None
 1.20A 4xueA-1iv0A:
undetectable		 4xueA-1iv0A:
20.19
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.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		4 GLY A  65
TYR A 110
GLU A 182
ASP A 158
 None
None
FMB  A 270 (-2.8A)
None
 1.29A 4xueA-1jdzA:
undetectable		 4xueA-1jdzA:
25.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqi SHORT CHAIN ACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 247
SER A 321
GLU A 368
ASP A 245
 None
None
CAA  A 400 (-4.1A)
CAA  A 400 (-2.9A)
 1.19A 4xueA-1jqiA:
undetectable		 4xueA-1jqiA:
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		4 GLY A 583
TYR A 598
SER A 599
ASP A 584
 None
 1.07A 4xueA-1k32A:
undetectable		 4xueA-1k32A:
12.55
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		4 GLY A 287
TYR A 322
SER A 280
GLU A 286
 None
 1.28A 4xueA-1lwhA:
undetectable		 4xueA-1lwhA:
19.91
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.
1mda METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 GLY H  76
SER H 135
GLU H 367
ASP H  78
 None
 1.28A 4xueA-1mdaH:
undetectable		 4xueA-1mdaH:
18.53
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.
1mdw CALPAIN II,
CATALYTIC SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		4 GLY A 203
TYR A 264
SER A 241
GLU A 339
 None
 1.37A 4xueA-1mdwA:
undetectable		 4xueA-1mdwA:
19.27
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.
1n4k INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		4 TYR A 313
SER A 366
GLU A 317
ASP A 363
 None
 1.21A 4xueA-1n4kA:
undetectable		 4xueA-1n4kA:
19.74
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.
1nhw ENOYL-ACYL CARRIER
REDUCTASE
ENOYL-ACYL CARRIER
REDUCTASE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF13561
(adh_short_C2)
PF13561
(adh_short_C2) 		4 GLY A 313
TYR C 375
SER C 376
ASP C 414
 None
 1.12A 4xueA-1nhwA:
7.1		 4xueA-1nhwA:
19.67
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.
1orf GRANZYME A

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A 101
TYR A 228
SER A 214
GLU A 100
 None
 1.19A 4xueA-1orfA:
undetectable		 4xueA-1orfA:
23.28
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		4 GLY A  87
TYR A  92
SER A  93
ASP A 163
 SAH  A 301 (-3.4A)
None
SAH  A 301 (-2.7A)
CA  A 305 (-2.5A)
 0.68A 4xueA-1susA:
20.9		 4xueA-1susA:
24.60
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.
1tvc METHANE
MONOOXYGENASE
COMPONENT C

(Methylococcus
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 GLY A 188
SER A 248
GLU A 160
ASP A 189
 FDA  A 252 (-3.3A)
None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
 1.24A 4xueA-1tvcA:
3.8		 4xueA-1tvcA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		4 GLY A 277
TYR A 243
GLU A 212
ASP A 991
 None
 1.33A 4xueA-1uf2A:
undetectable		 4xueA-1uf2A:
12.72
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.
1ukk OSMOTICALLY
INDUCIBLE PROTEIN C

(Thermus
thermophilus) 		PF02566
(OsmC) 		4 GLY A  41
TYR A  32
SER A  33
GLU A  40
 None
 1.15A 4xueA-1ukkA:
undetectable		 4xueA-1ukkA:
22.37
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.
1wa8 ESAT-6 LIKE PROTEIN
ESXB

(Mycobacterium
bovis) 		PF06013
(WXG100) 		4 GLY A  15
TYR A  82
SER A  83
GLU A  18
 None
 1.25A 4xueA-1wa8A:
undetectable		 4xueA-1wa8A:
19.53
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.
1xjl ANNEXIN A2

(Homo sapiens) 		PF00191
(Annexin) 		4 GLY A 337
TYR A 317
SER A 314
ASP A 339
 None
 1.15A 4xueA-1xjlA:
undetectable		 4xueA-1xjlA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zbh 3'-5' EXONUCLEASE
ERI1

(Homo sapiens) 		PF00929
(RNase_T)
PF02037
(SAP) 		4 GLY A 231
TYR A 264
GLU A 320
ASP A 230
 None
 1.33A 4xueA-1zbhA:
undetectable		 4xueA-1zbhA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 GLY A 110
TYR A 115
SER A 116
GLU A 134
ASP A 185
 SAM  A 501 (-3.4A)
None
SAM  A 501 (-3.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-3.4A)
 0.40A 4xueA-2avdA:
21.0		 4xueA-2avdA:
22.69
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.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		4 GLY A 102
SER A 158
GLU A  96
ASP A 100
 None
 1.20A 4xueA-2c1hA:
undetectable		 4xueA-2c1hA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 GLY A 118
TYR A 112
GLU B 834
ASP A 117
 None
 1.20A 4xueA-2fjaA:
undetectable		 4xueA-2fjaA:
14.84
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.
2i7f FERREDOXIN COMPONENT
OF DIOXYGENASE

(Sphingobium
yanoikuyae) 		PF00355
(Rieske) 		4 GLY A  36
TYR A  32
GLU A  37
ASP A  15
 None
 1.02A 4xueA-2i7fA:
undetectable		 4xueA-2i7fA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ii7 ANABAENA SENSORY
RHODOPSIN TRANSDUCER
PROTEIN

(Anabaena sp.) 		PF07100
(ASRT) 		4 GLY A  14
TYR A  50
SER A  91
GLU A  13
 None
 1.34A 4xueA-2ii7A:
undetectable		 4xueA-2ii7A:
20.09
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.
2ilx 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Rattus
norvegicus) 		PF05881
(CNPase) 		4 GLY A  80
TYR A   9
GLU A  86
ASP A  78
 None
 1.12A 4xueA-2ilxA:
undetectable		 4xueA-2ilxA:
20.92
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.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLY A 103
TYR A   8
GLU A 104
ASP A 102
 None
 1.05A 4xueA-2oejA:
undetectable		 4xueA-2oejA:
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.
2qy0 COMPLEMENT C1R
SUBCOMPONENT

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY B 539
TYR B 670
SER B 658
GLU B 538
 None
 1.08A 4xueA-2qy0B:
undetectable		 4xueA-2qy0B:
21.43
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.
2vve SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 4 GLY A 227
SER A 261
GLU A 299
ASP A 228
 None
 1.37A 4xueA-2vveA:
undetectable		 4xueA-2vveA:
20.91
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.
2ytg ZINC FINGER PROTEIN
95 HOMOLOG

(Homo sapiens) 		PF00096
(zf-C2H2) 		4 GLY A   9
TYR A  22
SER A  21
GLU A  10
 None
 1.15A 4xueA-2ytgA:
undetectable		 4xueA-2ytgA:
11.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z17 PLECKSTRIN HOMOLOGY
SEC7 AND COILED-COIL
DOMAINS-BINDING
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 GLY A  82
TYR A  36
SER A  35
GLU A  81
 None
 1.22A 4xueA-2z17A:
undetectable		 4xueA-2z17A:
16.45
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.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLY A 261
SER A 288
GLU A 259
ASP A 290
 None
 0.95A 4xueA-3a9vA:
2.9		 4xueA-3a9vA:
17.72
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.
3am3 ENOYL-ACP REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 GLY A 313
TYR A 375
SER A 376
ASP A 414
 NAD  A 801 (-4.8A)
None
None
None
 1.11A 4xueA-3am3A:
6.5		 4xueA-3am3A:
20.23
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.
3bm3 PSPGI RESTRICTION
ENDONUCLEASE

(Pyrococcus sp.
GI-H) 		PF09019
(EcoRII-C) 		4 GLY A 217
TYR A 213
GLU A 194
ASP A 216
 None
 1.10A 4xueA-3bm3A:
undetectable		 4xueA-3bm3A:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  71
SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-3.2A)
None
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.13A 4xueA-3bwmA:
41.1		 4xueA-3bwmA:
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		4 GLY A  78
TYR A  83
SER A  84
ASP A 154
 SAH  A 464 (-3.7A)
None
SAH  A 464 (-2.8A)
CA  A 238 ( 2.2A)
 0.53A 4xueA-3c3yA:
21.9		 4xueA-3c3yA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		4 GLY A  68
TYR A  73
SER A  74
ASP A 143
 SAH  A 301 (-3.7A)
None
SAH  A 301 (-2.9A)
MG  A 401 ( 2.7A)
 0.41A 4xueA-3cbgA:
21.9		 4xueA-3cbgA:
26.61
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.
3cm5 CELL DEATH-RELATED
NUCLEASE 4

(Caenorhabditis
elegans) 		PF00929
(RNase_T) 		4 GLY A 233
TYR A 221
GLU A 237
ASP A 231
 None
 1.29A 4xueA-3cm5A:
undetectable		 4xueA-3cm5A:
21.85
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.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION

(Ruegeria
pomeroyi) 		no annotation 4 GLY A  37
SER A  41
GLU A  57
ASP A 128
 None
 0.31A 4xueA-3cvoA:
13.6		 4xueA-3cvoA:
22.54
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		4 GLY A  66
TYR A  71
GLU A  90
ASP A 140
 None
 0.86A 4xueA-3dulA:
21.1		 4xueA-3dulA:
27.85
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		4 TYR A  71
SER A  72
GLU A  90
ASP A 140
 None
 1.14A 4xueA-3dulA:
21.1		 4xueA-3dulA:
27.85
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.
3eq2 PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF07228
(SpoIIE) 		4 TYR A 283
SER A 284
GLU A 249
ASP A 319
 None
 1.37A 4xueA-3eq2A:
undetectable		 4xueA-3eq2A:
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		4 GLY A  20
SER A 100
GLU A  19
ASP A  21
 None
 0.96A 4xueA-3ewmA:
2.5		 4xueA-3ewmA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4b ENOYL-ACYL CARRIER
PROTEIN REDUCTASE

(Plasmodium
berghei) 		PF13561
(adh_short_C2) 		4 GLY A 298
TYR A 339
SER A 340
ASP A 378
 NAD  A 450 (-4.9A)
None
None
None
 1.16A 4xueA-3f4bA:
7.1		 4xueA-3f4bA:
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.
3g4e REGUCALCIN

(Homo sapiens) 		PF08450
(SGL) 		4 GLY A 155
TYR A 173
SER A 170
ASP A 204
 None
None
None
CA  A   1 (-2.9A)
 1.33A 4xueA-3g4eA:
undetectable		 4xueA-3g4eA:
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLY A 286
SER A 211
GLU A 289
ASP A 284
 None
 0.93A 4xueA-3iv0A:
undetectable		 4xueA-3iv0A:
16.32
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.
3k7x LIN0763 PROTEIN

(Listeria
innocua) 		PF03663
(Glyco_hydro_76) 		4 GLY A 261
TYR A 324
SER A 325
ASP A 263
 None
 0.83A 4xueA-3k7xA:
undetectable		 4xueA-3k7xA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		4 GLY A  79
TYR A  84
SER A  85
GLU A 102
 None
SO4  A 233 (-4.9A)
SO4  A 233 (-2.6A)
None
 0.45A 4xueA-3ntvA:
21.2		 4xueA-3ntvA:
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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		4 GLY A  33
TYR A  28
SER A  57
ASP A  34
 None
 1.36A 4xueA-3qokA:
undetectable		 4xueA-3qokA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slr UNCHARACTERIZED
PROTEIN BF1531

(Bacteroides
fragilis) 		no annotation 4 GLY A 137
TYR A 149
SER A 146
GLU A 132
 None
 1.36A 4xueA-3slrA:
4.3		 4xueA-3slrA:
20.16
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.
3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 GLY A 320
TYR A 280
GLU A 322
ASP A 296
 None
None
None
C8E  A 471 ( 4.8A)
 1.36A 4xueA-3sybA:
undetectable		 4xueA-3sybA:
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		4 GLY A  69
TYR A  74
SER A  75
ASP A 144
 SAH  A 224 (-3.9A)
None
SAH  A 224 (-2.8A)
NI  A 223 ( 2.5A)
 0.46A 4xueA-3tr6A:
22.3		 4xueA-3tr6A:
24.60
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.
3ub9 CHEMORECEPTOR TLPB

(Helicobacter
pylori) 		PF17200
(sCache_2) 		4 GLY A 139
TYR A 169
SER A 170
GLU A 142
 None
 1.33A 4xueA-3ub9A:
undetectable		 4xueA-3ub9A:
22.48
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 GLY A 261
SER A 268
GLU A 303
ASP A 259
 None
None
None
ADP  A 800 ( 4.0A)
 1.31A 4xueA-3viuA:
undetectable		 4xueA-3viuA:
15.62
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 GLY A1548
TYR A1555
GLU A1590
ASP A1469
 None
 1.27A 4xueA-4aygA:
2.1		 4xueA-4aygA:
12.70
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.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 GLY A 245
SER A 315
GLU A 224
ASP A 247
 None
None
TRS  A1471 (-2.1A)
None
 1.34A 4xueA-4cotA:
undetectable		 4xueA-4cotA:
17.20
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.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		4 GLY A  19
TYR A 131
SER A 132
GLU A  45
 SAH  A 501 (-3.4A)
None
SAH  A 501 (-2.7A)
SAH  A 501 (-3.0A)
 1.38A 4xueA-4dkjA:
6.9		 4xueA-4dkjA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eht ACTIVATOR OF
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF01869
(BcrAD_BadFG) 		4 GLY A 101
TYR A  65
SER A  10
ASP A 104
 ADP  A 302 (-3.6A)
None
ADP  A 302 (-4.2A)
None
 1.23A 4xueA-4ehtA:
undetectable		 4xueA-4ehtA:
20.64
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.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		4 GLY A 135
TYR A 226
SER A 223
GLU A 217
 DPF  A 601 ( 3.8A)
None
None
DPF  A 601 ( 4.2A)
 1.18A 4xueA-4fnmA:
2.2		 4xueA-4fnmA:
17.36
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.
4ga7 LEUKOCYTE ELASTASE
INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		4 GLY A 330
TYR A  84
SER A  83
GLU A 329
 None
 1.37A 4xueA-4ga7A:
undetectable		 4xueA-4ga7A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gn8 REGUCALCIN

(Mus musculus) 		PF08450
(SGL) 		4 GLY A 155
TYR A 173
SER A 170
ASP A 204
 None
None
None
CA  A 301 ( 2.7A)
 1.35A 4xueA-4gn8A:
undetectable		 4xueA-4gn8A:
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 GLY A 276
TYR A 266
SER A 265
ASP A 275
 None
 1.21A 4xueA-4hymA:
undetectable		 4xueA-4hymA:
20.16
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 GLY A 111
TYR A 361
GLU A 330
ASP A 110
 None
 1.28A 4xueA-4lixA:
undetectable		 4xueA-4lixA:
15.07
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.
4lms CRYPTOPHYTE
PHYCOCYANIN (BETA
CHAIN)

(Chroomonas sp.) 		PF00502
(Phycobilisome) 		4 GLY B 100
TYR B  92
GLU B 164
ASP B 101
 None
 1.31A 4xueA-4lmsB:
undetectable		 4xueA-4lmsB:
21.43
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		4 GLY A  12
TYR A  26
SER A  27
GLU A  10
 None
 1.22A 4xueA-4maeA:
undetectable		 4xueA-4maeA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1m ENOYL-ACYL CARRIER
REDUCTASE

(Toxoplasma
gondii) 		PF13561
(adh_short_C2) 		4 GLY A 225
TYR A 250
SER A 251
ASP A 289
 None
 1.24A 4xueA-4o1mA:
6.7		 4xueA-4o1mA:
20.19
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		4 GLY A 232
TYR A 358
SER A 384
GLU A 360
 None
 1.34A 4xueA-4ohtA:
4.9		 4xueA-4ohtA:
19.43
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.
4p3c HEAVY CHAIN FAB
FRAGMENT OF ANTIBODY
LEM-2/15

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H  59
SER H  60
GLU H  46
ASP H  62
 EDO  H 307 (-4.6A)
None
None
None
 1.36A 4xueA-4p3cH:
undetectable		 4xueA-4p3cH:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLY A 109
TYR A 114
SER A 115
GLU A 133
ASP A 184
 2F6  A 301 (-3.6A)
None
None
2F6  A 301 (-2.7A)
None
 0.69A 4xueA-4p58A:
33.5		 4xueA-4p58A:
81.60
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		4 GLY A  64
SER A  70
GLU A  88
ASP A 136
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
MN  A 303 ( 2.7A)
 0.23A 4xueA-4pclA:
23.0		 4xueA-4pclA:
24.05
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 202
SER A 198
GLU A 205
ASP A  89
 None
MTA  A 401 (-3.3A)
None
None
 1.36A 4xueA-4uoeA:
12.9		 4xueA-4uoeA:
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.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		4 GLY A 189
SER A 214
GLU A 192
ASP A 185
 None
 1.36A 4xueA-4uugA:
undetectable		 4xueA-4uugA:
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.
4v2d FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 2

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		4 GLY A 213
TYR A 258
SER A 236
GLU A 189
 None
 1.27A 4xueA-4v2dA:
undetectable		 4xueA-4v2dA:
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 GLY A  73
TYR A  78
SER A  79
GLU A  98
ASP A 144
 SAM  A1001 (-3.3A)
None
SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
 0.22A 4xueA-4ymgA:
21.1		 4xueA-4ymgA:
26.40
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.
5a9t PUTATIVE
DEHYDROGENASE

(Amycolatopsis
orientalis) 		PF03446
(NAD_binding_2) 		4 GLY A 278
TYR A 231
SER A 284
GLU A 239
 None
 1.28A 4xueA-5a9tA:
5.2		 4xueA-5a9tA:
24.50
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.
5a9t PUTATIVE
DEHYDROGENASE

(Amycolatopsis
orientalis) 		PF03446
(NAD_binding_2) 		4 GLY A 278
TYR A 231
SER A 284
GLU A 279
 None
 1.21A 4xueA-5a9tA:
5.2		 4xueA-5a9tA:
24.50
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.
5ay6 FLAGELLAR HOOK
PROTEIN FLGE

(Caulobacter
vibrioides) 		PF07559
(FlaE) 		4 GLY A 291
TYR A 212
GLU A 302
ASP A 289
 None
 1.35A 4xueA-5ay6A:
undetectable		 4xueA-5ay6A:
22.48
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.
5b13 PHYCOERYTHRIN BETA
SUBUNIT

(Palmaria
palmata) 		PF00502
(Phycobilisome) 		4 GLY G 100
SER G 103
GLU G 164
ASP G   3
 None
 1.24A 4xueA-5b13G:
undetectable		 4xueA-5b13G:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		4 GLY A1059
TYR A1089
SER A1088
ASP A1062
 None
 1.36A 4xueA-5ffjA:
10.5		 4xueA-5ffjA:
10.31
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.
5i33 ADENYLOSUCCINATE
SYNTHETASE

(Cryptococcus
neoformans) 		PF00709
(Adenylsucc_synt) 		4 GLY A  13
TYR A 322
SER A 323
GLU A  19
 None
 1.05A 4xueA-5i33A:
2.7		 4xueA-5i33A:
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.
5i3e PUTATIVE
DEOXYRIBONUCLEASE-2

(Burkholderia
thailandensis) 		PF03265
(DNase_II) 		4 GLY A  60
TYR A  36
GLU A   8
ASP A  57
 None
 1.16A 4xueA-5i3eA:
undetectable		 4xueA-5i3eA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		4 GLY A  67
TYR A  72
SER A  73
ASP A 142
 SAH  A1001 (-3.5A)
None
SAH  A1001 (-2.7A)
MG  A1002 (-2.5A)
 0.65A 4xueA-5logA:
22.5		 4xueA-5logA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 GLY A 673
SER A 945
GLU A 677
ASP A 671
 None
 1.33A 4xueA-5m59A:
3.9		 4xueA-5m59A:
8.44
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.
5mdx CHLOROPHYLL A-B
BINDING PROTEIN 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 GLY G 194
TYR G 191
GLU G 187
ASP G 197
 None
CLA  G 610 (-4.3A)
None
CLA  G 610 (-3.3A)
 1.24A 4xueA-5mdxG:
undetectable		 4xueA-5mdxG:
18.99
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 GLY A 598
SER A 591
GLU A 202
ASP A 641
 None
 1.21A 4xueA-5mfaA:
undetectable		 4xueA-5mfaA:
15.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 GLY A  65
TYR A  70
SER A  71
GLU A  89
ASP A 139
 SAM  A 306 (-3.2A)
None
SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
 0.49A 4xueA-5n5dA:
22.9		 4xueA-5n5dA:
30.25
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.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 4 GLY A  83
TYR A 136
SER A  91
ASP A  93
 None
 1.35A 4xueA-5nxnA:
undetectable		 4xueA-5nxnA:
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.
5uc0 UNCHARACTERIZED
PROTEIN COG5400

(Brucella
abortus) 		PF06577
(DUF1134) 		4 GLY A 124
TYR A  94
GLU A  82
ASP A 119
 1PE  A 205 ( 4.7A)
1PE  A 205 (-4.0A)
None
None
 1.31A 4xueA-5uc0A:
undetectable		 4xueA-5uc0A:
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.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 GLY A 281
TYR A 333
SER A 334
GLU A 352
 None
None
None
IOD  A 532 ( 4.8A)
 1.16A 4xueA-5udyA:
undetectable		 4xueA-5udyA:
21.50
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.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 4 GLY A 460
SER A 331
GLU A 366
ASP A 440
 None
 1.02A 4xueA-5vefA:
undetectable		 4xueA-5vefA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY A 127
TYR A 104
SER A 103
ASP A 100
 None
 1.26A 4xueA-5vm1A:
undetectable		 4xueA-5vm1A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 TYR A 220
SER A 161
GLU A 215
ASP A  63
 None
None
THG  A 501 (-2.8A)
None
 1.37A 4xueA-5x1nA:
undetectable		 4xueA-5x1nA:
16.74
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.
5xag TUBULIN TYROSINE
LIGASE

(Gallus gallus) 		no annotation 4 GLY F 259
TYR F 256
SER F 225
GLU F 258
 None
 1.22A 4xueA-5xagF:
undetectable		 4xueA-5xagF:
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.
5y0s THERMOTOGA MARITIMA
TMCAL

(Thermotoga
maritima) 		no annotation 4 GLY A 410
TYR A 398
SER A 399
GLU A 411
 CME  A 409 ( 2.4A)
None
None
None
 1.29A 4xueA-5y0sA:
2.4		 4xueA-5y0sA:
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.
5z59 PROTEIN-TYROSINE
PHOSPHATASE

(Thermococcus
kodakarensis) 		no annotation 4 TYR A 110
SER A 111
GLU A 122
ASP A   9
 None
 1.30A 4xueA-5z59A:
undetectable		 4xueA-5z59A:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLY A  62
TYR A  67
SER A  68
GLU A  85
ASP A 133
 SAM  A 302 (-3.4A)
None
SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
 0.38A 4xueA-5zw4A:
22.9		 4xueA-5zw4A:
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 GLY A 598
SER A 591
GLU A 202
ASP A 641
 None
 1.19A 4xueA-6azpA:
undetectable		 4xueA-6azpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dbr -

(-) 		no annotation 4 GLY A 982
TYR A 729
SER A 618
GLU A 981
 None
 1.22A 4xueA-6dbrA:
undetectable		 4xueA-6dbrA:
undetectable