SIMILAR PATTERNS OF AMINO ACIDS FOR 4O33_A_TZNA501_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		8 GLY A 217
ALA A 218
GLY A 241
PHE A 294
MET A 313
LEU A 315
GLY A 342
VAL A 343
 ADP  A 421 (-2.9A)
ADP  A 421 (-3.4A)
ADP  A 421 (-3.4A)
None
None
None
ADP  A 421 (-3.1A)
ADP  A 421 (-3.4A)
 0.58A 4o33A-13pkA:
48.4		 4o33A-13pkA:
44.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		6 GLY A 217
GLY A 241
PHE A 294
MET A 313
LEU A 315
VAL A 343
 ADP  A 421 (-2.9A)
ADP  A 421 (-3.4A)
None
None
None
ADP  A 421 (-3.4A)
 1.02A 4o33A-13pkA:
48.4		 4o33A-13pkA:
44.55
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.
1b1y PROTEIN
(BETA-AMYLASE)

(Hordeum vulgare) 		PF01373
(Glyco_hydro_14) 		5 ALA A  80
GLY A  81
LEU A  84
GLY A  47
VAL A  48
 None
 0.88A 4o33A-1b1yA:
2.1		 4o33A-1b1yA:
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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 GLY A 208
ALA A 184
GLY A 203
GLY A 204
VAL A 174
 None
 0.96A 4o33A-1dabA:
undetectable		 4o33A-1dabA:
20.65
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 348
GLY A 170
GLY A 350
LEU A 242
GLY A 192
 None
 0.83A 4o33A-1e5mA:
undetectable		 4o33A-1e5mA:
25.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		9 GLY A 140
ALA A 141
GLY A 164
GLY A 165
PHE A 168
PHE A 218
LEU A 240
GLY A 267
VAL A 268
 None
 0.55A 4o33A-1fw8A:
18.8		 4o33A-1fw8A:
51.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		6 GLY A 140
GLY A 164
PHE A 168
PHE A 218
LEU A 240
VAL A 268
 None
 1.35A 4o33A-1fw8A:
18.8		 4o33A-1fw8A:
51.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		12 GLY A 213
ALA A 214
GLY A 237
GLY A 238
PHE A 241
THR A 254
LEU A 256
PHE A 291
MET A 311
LEU A 313
GLY A 340
VAL A 341
 AMP  A 417 ( 3.9A)
AMP  A 417 (-3.7A)
AMP  A 417 (-3.4A)
AMP  A 417 (-3.4A)
None
None
AMP  A 417 (-4.5A)
None
None
AMP  A 417 (-4.6A)
AMP  A 417 (-3.5A)
AMP  A 417 (-3.4A)
 0.40A 4o33A-1hdiA:
62.2		 4o33A-1hdiA:
91.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		6 GLY A 213
GLY A 237
PHE A 291
MET A 311
LEU A 313
VAL A 341
 AMP  A 417 ( 3.9A)
AMP  A 417 (-3.4A)
None
None
AMP  A 417 (-4.6A)
AMP  A 417 (-3.4A)
 1.11A 4o33A-1hdiA:
62.2		 4o33A-1hdiA:
91.04
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.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		5 GLY A  83
GLY A 208
GLY A 207
PHE A  62
GLY A 161
 None
 0.83A 4o33A-1l1jA:
undetectable		 4o33A-1l1jA:
18.54
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.
1lam LEUCINE
AMINOPEPTIDASE

(Bos taurus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		6 GLY A 249
GLY A 251
LEU A 302
MET A 178
LEU A 170
GLY A 275
 None
 1.31A 4o33A-1lamA:
undetectable		 4o33A-1lamA:
22.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		8 GLY A 195
ALA A 196
GLY A 219
GLY A 220
LEU A 237
LEU A 293
GLY A 320
VAL A 321
 ADP  A 396 (-3.3A)
ADP  A 396 (-3.9A)
ADP  A 396 (-3.3A)
ADP  A 396 (-3.6A)
ADP  A 396 (-3.8A)
None
ADP  A 396 (-3.2A)
ADP  A 396 (-3.2A)
 0.46A 4o33A-1phpA:
51.9		 4o33A-1phpA:
47.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		7 GLY A 219
GLY A 220
LEU A 237
PHE A 272
LEU A 293
GLY A 320
VAL A 321
 ADP  A 396 (-3.3A)
ADP  A 396 (-3.6A)
ADP  A 396 (-3.8A)
None
None
ADP  A 396 (-3.2A)
ADP  A 396 (-3.2A)
 0.54A 4o33A-1phpA:
51.9		 4o33A-1phpA:
47.73
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.
1q51 MENB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 ALA A 159
GLY A 161
GLY A 162
THR A  88
GLY A 105
 CAA  A 501 ( 3.8A)
CAA  A 501 (-3.3A)
None
None
CAA  A 501 (-3.9A)
 0.93A 4o33A-1q51A:
2.1		 4o33A-1q51A:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		9 GLY A 211
ALA A 212
GLY A 235
GLY A 236
PHE A 239
PHE A 289
LEU A 311
GLY A 338
VAL A 339
 MAP  A 450 (-3.6A)
MAP  A 450 ( 4.2A)
MAP  A 450 (-3.5A)
MAP  A 450 (-3.5A)
MAP  A 450 (-4.8A)
None
None
MAP  A 450 (-3.2A)
MAP  A 450 (-3.3A)
 0.46A 4o33A-1qpgA:
54.4		 4o33A-1qpgA:
64.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		6 GLY A 211
GLY A 235
PHE A 239
PHE A 289
LEU A 311
VAL A 339
 MAP  A 450 (-3.6A)
MAP  A 450 (-3.5A)
MAP  A 450 (-4.8A)
None
None
MAP  A 450 (-3.3A)
 1.31A 4o33A-1qpgA:
54.4		 4o33A-1qpgA:
64.90
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.
1r3f TRNA PSEUDOURIDINE
SYNTHASE B

(Escherichia
coli) 		PF01509
(TruB_N)
PF09157
(TruB-C_2)
PF16198
(TruB_C_2) 		5 GLY A 192
GLY A 194
GLY A 188
LEU A 187
GLY A  83
 None
 0.95A 4o33A-1r3fA:
undetectable		 4o33A-1r3fA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 406
GLY A 404
THR A 214
LEU A 348
GLY A 168
 None
ACE  A 633 (-3.1A)
None
ACE  A 633 ( 4.9A)
ACE  A 633 ( 4.3A)
 0.92A 4o33A-1tqyA:
undetectable		 4o33A-1tqyA:
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.
1tt7 YHFP

(Bacillus
subtilis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 161
GLY A 164
GLY A 165
LEU A 194
GLY A 158
 None
 0.84A 4o33A-1tt7A:
4.5		 4o33A-1tt7A:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tt7 YHFP

(Bacillus
subtilis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 162
GLY A 164
GLY A 165
LEU A 194
GLY A 158
 None
 0.86A 4o33A-1tt7A:
4.5		 4o33A-1tt7A:
23.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		8 GLY A 195
ALA A 196
GLY A 219
PHE A 223
MET A 292
LEU A 294
GLY A 321
VAL A 322
 ANP  A 400 (-3.5A)
ANP  A 400 (-3.1A)
ANP  A 400 (-3.3A)
None
None
None
ANP  A 400 (-3.1A)
ANP  A 400 (-3.0A)
 0.42A 4o33A-1vpeA:
51.6		 4o33A-1vpeA:
48.93
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.
1wzx COG3291: FOG: PKD
REPEAT

(Ruminiclostridium
thermocellum) 		no annotation 5 GLY A  96
GLY A  97
PHE A 100
GLY A  93
VAL A 170
 None
 0.89A 4o33A-1wzxA:
undetectable		 4o33A-1wzxA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		8 GLY A 191
GLY A 215
GLY A 216
LEU A 233
PHE A 263
LEU A 284
GLY A 311
VAL A 312
 None
 0.59A 4o33A-1zmrA:
46.5		 4o33A-1zmrA:
39.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 GLY A 198
ALA A 199
GLY A 224
GLY A 329
VAL A 330
 None
 0.52A 4o33A-2cunA:
42.8		 4o33A-2cunA:
34.24
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase) 		5 ALA A 350
GLY A 348
THR A 342
GLY A 383
VAL A 384
 None
 0.77A 4o33A-2d6fA:
2.9		 4o33A-2d6fA:
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase) 		5 GLY A 348
THR A 342
LEU A 379
GLY A 383
VAL A 384
 None
 0.78A 4o33A-2d6fA:
2.9		 4o33A-2d6fA:
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.
2gh4 PUTATIVE GLYCOSYL
HYDROLASE YTER

(Bacillus
subtilis) 		PF07470
(Glyco_hydro_88) 		5 ALA A 354
LEU A 351
LEU A  47
GLY A  49
VAL A  50
 None
 0.73A 4o33A-2gh4A:
undetectable		 4o33A-2gh4A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLY A 317
THR A  73
LEU A 156
GLY A 319
VAL A 320
 5CA  A 439 (-3.5A)
None
None
5CA  A 439 (-3.5A)
None
 0.93A 4o33A-2i4nA:
undetectable		 4o33A-2i4nA:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ie8 PHOSPHOGLYCERATE
KINASE

(Thermus
caldophilus) 		PF00162
(PGK) 		8 GLY A 192
ALA A 193
GLY A 216
PHE A 220
MET A 288
LEU A 290
GLY A 317
VAL A 318
 None
 0.48A 4o33A-2ie8A:
51.1		 4o33A-2ie8A:
42.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ie8 PHOSPHOGLYCERATE
KINASE

(Thermus
caldophilus) 		PF00162
(PGK) 		8 GLY A 192
ALA A 193
PHE A 220
LEU A 234
MET A 288
LEU A 290
GLY A 317
VAL A 318
 None
 0.68A 4o33A-2ie8A:
51.1		 4o33A-2ie8A:
42.42
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.
2j3r ZGC 92866

(Danio rerio) 		PF04051
(TRAPP) 		5 ALA B 141
GLY B 145
GLY B 144
PHE B  33
GLY B  58
 None
 0.92A 4o33A-2j3rB:
undetectable		 4o33A-2j3rB:
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.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLY A 368
ALA A 369
GLY A 372
PHE A 376
GLY A 364
 None
 0.80A 4o33A-2oejA:
undetectable		 4o33A-2oejA:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		9 GLY A 213
ALA A 214
GLY A 237
GLY A 238
LEU A 256
PHE A 291
LEU A 313
GLY A 340
VAL A 341
 ATP  A 500 (-2.8A)
ATP  A 500 (-3.4A)
ATP  A 500 (-3.4A)
ATP  A 500 (-3.9A)
ATP  A 500 (-4.3A)
None
ATP  A 500 (-4.7A)
ATP  A 500 (-3.4A)
ATP  A 500 (-3.9A)
 0.49A 4o33A-2paaA:
57.8		 4o33A-2paaA:
84.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		9 GLY A 213
ALA A 214
GLY A 237
GLY A 238
PHE A 291
MET A 311
LEU A 313
GLY A 340
VAL A 341
 ATP  A 500 (-2.8A)
ATP  A 500 (-3.4A)
ATP  A 500 (-3.4A)
ATP  A 500 (-3.9A)
None
None
ATP  A 500 (-4.7A)
ATP  A 500 (-3.4A)
ATP  A 500 (-3.9A)
 0.41A 4o33A-2paaA:
57.8		 4o33A-2paaA:
84.89
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.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		5 GLY A 253
GLY A 254
THR A 258
LEU A 255
GLY A 293
 None
 0.95A 4o33A-2w48A:
2.8		 4o33A-2w48A:
23.54
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.
2w68 SIALIDASE

(Vibrio cholerae) 		PF09264
(Sial-lect-inser) 		5 ALA A 204
GLY A 202
LEU A 103
LEU A 125
GLY A 106
 None
 0.92A 4o33A-2w68A:
undetectable		 4o33A-2w68A:
19.63
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.
2wsc PHOTOSYSTEM I
REACTION CENTER
SUBUNIT VI,
CHLOROPLASTIC
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF02605
(PsaL)
PF03244
(PSI_PsaH) 		5 GLY L 150
GLY L 147
PHE H  40
GLY L  57
VAL L  54
 None
 0.77A 4o33A-2wscL:
undetectable		 4o33A-2wscL:
19.23
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.
2xiv HYPOTHETICAL
INVASION PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 GLY A 380
GLY A 362
GLY A 363
THR A 296
GLY A 371
 None
 0.80A 4o33A-2xivA:
undetectable		 4o33A-2xivA:
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.
2yg8 DNA-3-METHYLADENINE
GLYCOSIDASE II,
PUTATIVE

(Deinococcus
radiodurans) 		PF00730
(HhH-GPD) 		5 GLY A 103
THR A 118
LEU A 111
GLY A 108
VAL A 109
 None
 0.71A 4o33A-2yg8A:
undetectable		 4o33A-2yg8A:
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.
3bog 6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN

(Hypogastrura
harveyi) 		no annotation 5 GLY A  34
ALA A  19
GLY A  48
GLY A  49
GLY A  36
 None
 0.94A 4o33A-3bogA:
undetectable		 4o33A-3bogA:
13.04
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.
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Homo sapiens) 		PF16113
(ECH_2) 		5 GLY A 179
GLY A 180
LEU A 184
GLY A 149
VAL A 148
 None
 0.75A 4o33A-3bptA:
undetectable		 4o33A-3bptA:
22.60
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.
3c24 PUTATIVE
OXIDOREDUCTASE

(Jannaschia sp.
CCS1) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 GLY A  17
ALA A  18
GLY A  20
GLY A  19
LEU A  50
 None
 0.93A 4o33A-3c24A:
2.9		 4o33A-3c24A:
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.
3ekm DIAMINOPIMELATE
EPIMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01678
(DAP_epimerase) 		5 GLY A 255
ALA A 258
GLY A 257
THR A 193
LEU A 261
 ZDR  A 500 (-3.6A)
None
None
None
None
 0.93A 4o33A-3ekmA:
undetectable		 4o33A-3ekmA:
23.73
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 307
GLY A 308
LEU A 312
LEU A 330
GLY A 332
 None
 0.86A 4o33A-3fj4A:
undetectable		 4o33A-3fj4A:
24.34
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.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 192
LEU A 187
LEU A 217
GLY A 221
VAL A 222
 GLY  A 192 ( 0.0A)
LEU  A 187 ( 0.6A)
LEU  A 217 ( 0.6A)
GLY  A 221 ( 0.0A)
VAL  A 222 ( 0.6A)
 0.81A 4o33A-3i4kA:
undetectable		 4o33A-3i4kA:
25.16
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY A4012
ALA A4013
GLY A4015
GLY A4014
GLY A4021
 None
 0.86A 4o33A-3kciA:
undetectable		 4o33A-3kciA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nep MALATE DEHYDROGENASE

(Salinibacter
ruber) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY X 233
ALA X 234
GLY X 236
GLY X 235
LEU X 241
 None
 0.96A 4o33A-3nepX:
4.2		 4o33A-3nepX:
23.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oz7 PHOSPHOGLYCERATE
KINASE

(Plasmodium
falciparum) 		PF00162
(PGK) 		9 GLY A 213
ALA A 214
GLY A 237
GLY A 238
THR A 254
LEU A 256
MET A 311
LEU A 313
GLY A 340
 SO4  A 501 (-3.2A)
SO4  A 501 (-3.6A)
None
None
None
None
None
None
None
 0.64A 4o33A-3oz7A:
53.7		 4o33A-3oz7A:
60.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oz7 PHOSPHOGLYCERATE
KINASE

(Plasmodium
falciparum) 		PF00162
(PGK) 		9 GLY A 213
ALA A 214
GLY A 237
GLY A 238
THR A 254
MET A 311
LEU A 313
GLY A 340
VAL A 341
 SO4  A 501 (-3.2A)
SO4  A 501 (-3.6A)
None
None
None
None
None
None
None
 0.52A 4o33A-3oz7A:
53.7		 4o33A-3oz7A:
60.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oz7 PHOSPHOGLYCERATE
KINASE

(Plasmodium
falciparum) 		PF00162
(PGK) 		9 GLY A 213
ALA A 214
GLY A 238
THR A 254
PHE A 291
MET A 311
LEU A 313
GLY A 340
VAL A 341
 SO4  A 501 (-3.2A)
SO4  A 501 (-3.6A)
None
None
None
None
None
None
None
 0.60A 4o33A-3oz7A:
53.7		 4o33A-3oz7A:
60.29
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.
3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 GLY A  62
ALA A  63
GLY A 108
GLY A 109
PHE A 231
 None
PG4  A 260 (-3.8A)
None
PG4  A 260 ( 4.3A)
None
 0.84A 4o33A-3peaA:
undetectable		 4o33A-3peaA:
23.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q3v PHOSPHOGLYCERATE
KINASE

(Campylobacter
jejuni) 		PF00162
(PGK) 		9 GLY A 199
GLY A 223
GLY A 224
PHE A 227
LEU A 241
MET A 295
LEU A 297
GLY A 324
VAL A 325
 None
FMT  A 403 (-3.9A)
FMT  A 403 ( 4.8A)
FMT  A 403 (-4.4A)
None
None
None
FMT  A 403 ( 3.8A)
None
 0.49A 4o33A-3q3vA:
52.8		 4o33A-3q3vA:
46.06
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.
3s5s MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sorangium
cellulosum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 131
ALA A 314
GLY A 129
GLY A 315
LEU A 123
 None
 0.89A 4o33A-3s5sA:
2.3		 4o33A-3s5sA:
23.87
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.
3sti PROTEASE DEGQ

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 188
GLY A  67
THR A 125
GLY A 145
VAL A 144
 None
 0.83A 4o33A-3stiA:
undetectable		 4o33A-3stiA:
20.95
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.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 188
GLY A  67
THR A 125
GLY A 145
VAL A 144
 None
 0.82A 4o33A-3stjA:
undetectable		 4o33A-3stjA:
23.13
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.
3tad LIPRIN-BETA-1

(Mus musculus) 		PF00536
(SAM_1)
PF07647
(SAM_2) 		5 GLY C 619
ALA C 616
GLY C 621
LEU C 624
LEU C 649
 None
 0.94A 4o33A-3tadC:
undetectable		 4o33A-3tadC:
19.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uwd PHOSPHOGLYCERATE
KINASE

(Bacillus
anthracis) 		PF00162
(PGK) 		6 GLY A 195
ALA A 196
GLY A 219
GLY A 220
LEU A 237
GLY A 320
 CL  A 396 (-4.0A)
CL  A 396 (-4.2A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
CL  A 396 ( 3.7A)
 0.48A 4o33A-3uwdA:
51.8		 4o33A-3uwdA:
48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uwd PHOSPHOGLYCERATE
KINASE

(Bacillus
anthracis) 		PF00162
(PGK) 		6 GLY A 195
ALA A 196
GLY A 219
GLY A 220
LEU A 237
PHE A 272
 CL  A 396 (-4.0A)
CL  A 396 (-4.2A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
None
 0.61A 4o33A-3uwdA:
51.8		 4o33A-3uwdA:
48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uwd PHOSPHOGLYCERATE
KINASE

(Bacillus
anthracis) 		PF00162
(PGK) 		6 GLY A 195
GLY A 219
GLY A 220
LEU A 237
GLY A 320
VAL A 321
 CL  A 396 (-4.0A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
CL  A 396 ( 3.7A)
CL  A 396 ( 4.8A)
 0.50A 4o33A-3uwdA:
51.8		 4o33A-3uwdA:
48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uwd PHOSPHOGLYCERATE
KINASE

(Bacillus
anthracis) 		PF00162
(PGK) 		6 GLY A 195
GLY A 219
GLY A 220
LEU A 237
PHE A 272
VAL A 321
 CL  A 396 (-4.0A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
None
CL  A 396 ( 4.8A)
 1.06A 4o33A-3uwdA:
51.8		 4o33A-3uwdA:
48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		8 GLY A 202
GLY A 226
GLY A 227
LEU A 244
PHE A 276
LEU A 297
GLY A 324
VAL A 325
 ANP  A1401 (-3.1A)
ANP  A1401 (-3.3A)
ANP  A1401 (-3.5A)
ANP  A1401 ( 3.7A)
None
ANP  A1401 ( 4.7A)
ANP  A1401 (-3.3A)
ANP  A1401 (-3.1A)
 0.55A 4o33A-3zlbA:
47.5		 4o33A-3zlbA:
47.04
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.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		5 GLY A 328
ALA A 281
GLY A 279
GLY A 280
THR A  76
 None
ANP  A 700 (-4.5A)
ANP  A 700 (-3.7A)
ANP  A 700 (-3.6A)
None
 0.93A 4o33A-4a5aA:
undetectable		 4o33A-4a5aA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ALA A 125
GLY A 123
LEU A 183
GLY A 187
VAL A 188
 None
 0.82A 4o33A-4cczA:
undetectable		 4o33A-4cczA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 290
ALA A 289
GLY A 294
LEU A 298
GLY A 323
 None
 0.95A 4o33A-4cjaA:
undetectable		 4o33A-4cjaA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dg5 PHOSPHOGLYCERATE
KINASE

(Staphylococcus
aureus) 		PF00162
(PGK) 		7 GLY A 200
ALA A 201
GLY A 224
GLY A 225
PHE A 274
GLY A 322
VAL A 323
 None
 0.49A 4o33A-4dg5A:
49.5		 4o33A-4dg5A:
44.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		8 GLY A 191
GLY A 215
GLY A 216
LEU A 233
MET A 287
LEU A 289
GLY A 316
VAL A 317
 None
None
None
None
None
None
None
SO4  A 401 ( 4.5A)
 0.73A 4o33A-4ehjA:
47.1		 4o33A-4ehjA:
43.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		8 GLY A 191
GLY A 216
LEU A 233
PHE A 268
MET A 287
LEU A 289
GLY A 316
VAL A 317
 None
None
None
None
None
None
None
SO4  A 401 ( 4.5A)
 0.74A 4o33A-4ehjA:
47.1		 4o33A-4ehjA:
43.47
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.
4fk8 FERREDOXIN--NADP
REDUCTASE

(Burkholderia
thailandensis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLY A 131
GLY A 133
PHE A 137
LEU A 233
GLY A 235
 None
 0.85A 4o33A-4fk8A:
undetectable		 4o33A-4fk8A:
21.45
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.
4fwm PROPIONATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		5 GLY A 207
ALA A 208
GLY A 205
LEU A 204
GLY A 234
 ATP  A 405 ( 3.4A)
None
ATP  A 405 ( 3.8A)
None
None
 0.94A 4o33A-4fwmA:
undetectable		 4o33A-4fwmA:
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.
4fwm PROPIONATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		5 GLY A 207
ALA A 208
GLY A 205
LEU A 204
LEU A 279
 ATP  A 405 ( 3.4A)
None
ATP  A 405 ( 3.8A)
None
ATP  A 405 (-4.2A)
 0.93A 4o33A-4fwmA:
undetectable		 4o33A-4fwmA:
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		5 GLY L 566
GLY L 569
GLY L 568
THR N 367
LEU L 574
 None
 0.83A 4o33A-4heaL:
undetectable		 4o33A-4heaL:
22.65
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.
4lmp ALANINE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 GLY A 261
ALA A 262
GLY A 155
GLY A 157
VAL A 158
 None
 0.86A 4o33A-4lmpA:
5.0		 4o33A-4lmpA:
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 GLY A 113
GLY A 112
PHE A  29
THR A  82
GLY A  34
 None
 0.92A 4o33A-4mynA:
4.2		 4o33A-4mynA:
20.42
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.
4n3o PUTATIVE
D-GLYCERO-D-MANNO-HE
PTOSE 7-PHOSPHATE
KINASE

(Campylobacter
jejuni) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 296
ALA A 295
GLY A 298
GLY A 299
PHE A 203
 None
 0.81A 4o33A-4n3oA:
undetectable		 4o33A-4n3oA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n3o PUTATIVE
D-GLYCERO-D-MANNO-HE
PTOSE 7-PHOSPHATE
KINASE

(Campylobacter
jejuni) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 296
GLY A 298
GLY A 299
PHE A 203
GLY A 110
 None
 0.81A 4o33A-4n3oA:
undetectable		 4o33A-4n3oA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE

(Alicyclobacillus
acidocaldarius) 		PF00016
(RuBisCO_large) 		5 GLY A 369
ALA A 370
GLY A 373
PHE A 377
GLY A 365
 None
 0.80A 4o33A-4nasA:
undetectable		 4o33A-4nasA:
23.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ng4 PHOSPHOGLYCERATE
KINASE

(Coxiella
burnetii) 		PF00162
(PGK) 		6 GLY A 194
GLY A 218
GLY A 219
LEU A 236
GLY A 319
VAL A 320
 ADP  A 402 (-2.9A)
ADP  A 402 (-3.2A)
ADP  A 402 ( 4.6A)
ADP  A 402 ( 4.2A)
MG  A 401 (-3.2A)
ADP  A 402 ( 4.2A)
 0.68A 4o33A-4ng4A:
46.0		 4o33A-4ng4A:
42.79
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.
4ntd THIOREDOXIN
REDUCTASE

(Streptomyces
clavuligerus) 		PF07992
(Pyr_redox_2) 		5 GLY A  17
ALA A  18
GLY A  20
GLY A  19
LEU A  25
 FAD  A 402 (-3.5A)
FAD  A 402 (-4.7A)
None
FAD  A 402 (-3.7A)
None
 0.84A 4o33A-4ntdA:
2.8		 4o33A-4ntdA:
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.
4q4g PEPTIDOGLYCAN
ENDOPEPTIDASE RIPA

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 GLY X1118
GLY X1100
GLY X1101
THR X1034
GLY X1109
 None
 0.82A 4o33A-4q4gX:
undetectable		 4o33A-4q4gX:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 5 GLY A 453
GLY A 420
GLY A 421
THR A  96
GLY A 425
 None
 0.88A 4o33A-4tz5A:
undetectable		 4o33A-4tz5A:
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.
4w1t COPPER OXIDASE

(Streptomyces
sviceus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 162
GLY A 164
GLY A 165
LEU A 170
GLY A 158
 None
 0.97A 4o33A-4w1tA:
undetectable		 4o33A-4w1tA:
19.77
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.
5b58 PUTATIVE HEMIN ABC
TRANSPORT SYSTEM,
MEMBRANE PROTEIN

(Burkholderia
cenocepacia) 		PF01032
(FecCD) 		5 GLY A 121
GLY A 154
LEU A 155
GLY A 117
VAL A 116
 None
 0.80A 4o33A-5b58A:
undetectable		 4o33A-5b58A:
24.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bt8 PHOSPHOGLYCERATE
KINASE

(Acinetobacter
baumannii) 		PF00162
(PGK) 		6 GLY A 191
GLY A 215
GLY A 216
LEU A 233
MET A 292
LEU A 294
 None
 0.91A 4o33A-5bt8A:
44.0		 4o33A-5bt8A:
41.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bt8 PHOSPHOGLYCERATE
KINASE

(Acinetobacter
baumannii) 		PF00162
(PGK) 		6 GLY A 215
GLY A 216
LEU A 233
MET A 292
LEU A 294
VAL A 322
 None
 0.81A 4o33A-5bt8A:
44.0		 4o33A-5bt8A:
41.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bt8 PHOSPHOGLYCERATE
KINASE

(Acinetobacter
baumannii) 		PF00162
(PGK) 		6 GLY A 215
LEU A 233
MET A 292
LEU A 294
GLY A 321
VAL A 322
 None
 0.78A 4o33A-5bt8A:
44.0		 4o33A-5bt8A:
41.15
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.
5hpk E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE

(Homo sapiens) 		PF00632
(HECT) 		5 GLY A 698
ALA A 697
GLY A 694
MET A 804
LEU A 808
 None
 0.96A 4o33A-5hpkA:
undetectable		 4o33A-5hpkA:
21.98
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.
5jd5 MGS-MILE3

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A 200
GLY A 199
PHE A 198
LEU A 267
GLY A 171
 None
OAS  A 169 ( 3.4A)
OAS  A 169 ( 4.8A)
None
OAS  A 169 ( 3.8A)
 0.91A 4o33A-5jd5A:
undetectable		 4o33A-5jd5A:
22.22
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		5 GLY A 432
ALA A 426
GLY A 478
GLY A 477
GLY A 423
 None
 0.93A 4o33A-5l9wA:
undetectable		 4o33A-5l9wA:
21.36
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.
5m04 GTPASE OBGE/CGTA

(Escherichia
coli) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 GLY A  14
ALA A  67
GLY A  42
GLY A  43
GLY A  70
 None
 0.84A 4o33A-5m04A:
undetectable		 4o33A-5m04A:
23.71
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 GLY A  99
GLY A 102
GLY A 101
THR A  34
LEU A  32
 FAD  A 601 (-4.6A)
FAD  A 601 (-3.0A)
None
None
None
 0.92A 4o33A-5nitA:
undetectable		 4o33A-5nitA:
22.19
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 GLY A 638
GLY A 607
THR A 578
GLY A 359
VAL A 358
 None
 0.93A 4o33A-5nn8A:
undetectable		 4o33A-5nn8A:
19.03
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.
5oy0 PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI

(Synechocystis
sp. PCC 6803) 		no annotation 5 GLY 0 133
GLY 0 131
GLY 0 130
LEU 0  51
GLY 0  58
 BCR  0 205 (-3.5A)
None
None
CLA  0 201 ( 4.8A)
None
 0.90A 4o33A-5oy00:
undetectable		 4o33A-5oy00:
12.77
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 GLY A 471
ALA A 465
GLY A 517
GLY A 516
GLY A 462
 None
 0.91A 4o33A-5svcA:
undetectable		 4o33A-5svcA:
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.
5t57 SEMIALDEHYDE
DEHYDROGENASE
NAD-BINDING PROTEIN

(Cupriavidus
necator) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 GLY A   9
ALA A  10
GLY A  12
GLY A  11
LEU A  42
 NAD  A 301 (-3.4A)
None
NAD  A 301 (-3.2A)
NAD  A 301 (-4.3A)
None
 0.84A 4o33A-5t57A:
3.2		 4o33A-5t57A:
22.70
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ALA B 786
GLY B 784
LEU B 410
LEU B 938
VAL B 930
 None
 0.94A 4o33A-5vniB:
3.0		 4o33A-5vniB:
19.81
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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 GLY A  79
GLY A  81
THR A 195
GLY A 131
VAL A 132
 LLP  A  78 ( 2.4A)
LLP  A  78 ( 3.4A)
None
LLP  A  78 ( 4.9A)
None
 0.89A 4o33A-5ygrA:
undetectable		 4o33A-5ygrA:
12.96
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B

(Pyrococcus
furiosus) 		no annotation 5 GLY F  41
GLY F  38
GLY F  37
LEU F 123
GLY F 126
 None
 0.90A 4o33A-6cfwF:
undetectable		 4o33A-6cfwF:
10.32
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 GLY A 222
GLY A 225
PHE A 164
LEU A 229
VAL A  13
 None
None
None
MES  A 502 ( 4.5A)
None
 0.78A 4o33A-6eu6A:
undetectable		 4o33A-6eu6A:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f45 -

(-) 		no annotation 5 GLY D 195
ALA D 189
GLY D 169
GLY D 170
GLY D 186
 None
 0.82A 4o33A-6f45D:
undetectable		 4o33A-6f45D:
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.
6f45 -

(-) 		no annotation 5 GLY D 197
ALA D 205
GLY D 169
GLY D 168
GLY D 208
 None
 0.97A 4o33A-6f45D:
undetectable		 4o33A-6f45D:
undetectable