SIMILAR PATTERNS OF AMINO ACIDS FOR 4O3F_A_TZNA501

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)
 0.55A 4o3fA-13pkA:
45.9		 4o3fA-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.
1b3q PROTEIN (CHEMOTAXIS
PROTEIN CHEA)

(Thermotoga
maritima) 		PF01584
(CheW)
PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		5 GLY A 414
ALA A 410
GLY A 451
LEU A 432
GLY A 530
 None
 0.96A 4o3fA-1b3qA:
undetectable		 4o3fA-1b3qA:
22.94
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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 GLY A 125
ALA A 126
GLY A 128
GLY A 127
GLY A 148
 None
 0.91A 4o3fA-1dabA:
undetectable		 4o3fA-1dabA:
21.07
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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 GLY A 181
ALA A 182
GLY A 252
GLY A 253
PHE A 254
 None
 0.91A 4o3fA-1dabA:
undetectable		 4o3fA-1dabA:
21.07
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.
1ea9 CYCLOMALTODEXTRINASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 GLY C 169
PHE C 191
LEU C 171
GLY C 173
VAL C 174
 None
 0.92A 4o3fA-1ea9C:
undetectable		 4o3fA-1ea9C:
21.95
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
 0.49A 4o3fA-1fw8A:
30.7		 4o3fA-1fw8A:
52.03
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) 		11 GLY A 213
ALA A 214
GLY A 237
GLY A 238
PHE A 241
THR A 254
LEU A 256
PHE A 291
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
AMP  A 417 (-4.6A)
AMP  A 417 (-3.5A)
AMP  A 417 (-3.4A)
 0.38A 4o3fA-1hdiA:
60.1		 4o3fA-1hdiA:
90.56
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) 		11 GLY A 213
ALA A 214
GLY A 237
GLY A 238
PHE A 241
THR A 254
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
None
None
AMP  A 417 (-4.6A)
AMP  A 417 (-3.5A)
AMP  A 417 (-3.4A)
 0.39A 4o3fA-1hdiA:
60.1		 4o3fA-1hdiA:
90.56
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.
1i5a CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c) 		5 GLY A 414
ALA A 410
GLY A 451
LEU A 432
GLY A 530
 ACP  A 998 (-3.4A)
ACP  A 998 (-4.1A)
None
None
None
 0.92A 4o3fA-1i5aA:
undetectable		 4o3fA-1i5aA:
18.10
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 GLY A 232
ALA A 231
LEU A 228
MET A 243
LEU A 239
 A  D 914 ( 3.4A)
A  D 914 ( 4.6A)
None
None
None
 0.90A 4o3fA-1j2bA:
undetectable		 4o3fA-1j2bA:
23.24
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.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		5 GLY A 143
GLY A 148
GLY A 147
PHE A  86
GLY A 177
 None
 0.82A 4o3fA-1lgyA:
undetectable		 4o3fA-1lgyA:
21.50
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
PHE A 272
LEU A 293
GLY A 320
 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
None
ADP  A 396 (-3.2A)
 0.59A 4o3fA-1phpA:
50.2		 4o3fA-1phpA:
47.26
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
PHE A 272
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)
None
None
ADP  A 396 (-3.2A)
ADP  A 396 (-3.2A)
 0.63A 4o3fA-1phpA:
50.2		 4o3fA-1phpA:
47.26
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.
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)
 0.82A 4o3fA-1q51A:
2.0		 4o3fA-1q51A:
22.25
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)
 0.40A 4o3fA-1qpgA:
53.1		 4o3fA-1qpgA:
64.18
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.
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
 0.87A 4o3fA-1r3fA:
undetectable		 4o3fA-1r3fA:
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 GLY A 191
GLY A 193
GLY A 187
LEU A 186
GLY A  77
 None
 0.87A 4o3fA-1sgvA:
undetectable		 4o3fA-1sgvA:
21.20
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.
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)
 0.89A 4o3fA-1tqyA:
undetectable		 4o3fA-1tqyA:
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.
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
 0.85A 4o3fA-1tt7A:
3.3		 4o3fA-1tt7A:
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.
1udx THE GTP-BINDING
PROTEIN OBG

(Thermus
thermophilus) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1)
PF09269
(DUF1967) 		5 GLY A  13
ALA A  65
GLY A  41
GLY A  42
GLY A  68
 None
 0.85A 4o3fA-1udxA:
undetectable		 4o3fA-1udxA:
24.95
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.
1udx THE GTP-BINDING
PROTEIN OBG

(Thermus
thermophilus) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1)
PF09269
(DUF1967) 		5 GLY A 145
ALA A  12
GLY A 119
GLY A 118
GLY A  15
 None
 0.88A 4o3fA-1udxA:
undetectable		 4o3fA-1udxA:
24.95
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)
 0.43A 4o3fA-1vpeA:
49.3		 4o3fA-1vpeA:
47.97
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.
1w5f CELL DIVISION
PROTEIN FTSZ

(Thermotoga
maritima) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  33
ALA A  32
GLY A  30
GLY A  31
GLY A 120
 None
G2P  A 500 (-3.3A)
G2P  A 500 (-3.5A)
G2P  A 500 (-3.1A)
G2P  A 500 (-3.4A)
 0.86A 4o3fA-1w5fA:
5.0		 4o3fA-1w5fA:
25.56
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
 0.53A 4o3fA-1zmrA:
24.3		 4o3fA-1zmrA:
39.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 189
GLY A 187
LEU A 185
PHE A 198
GLY A 142
 None
 0.86A 4o3fA-1zr6A:
undetectable		 4o3fA-1zr6A:
22.80
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.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		5 GLY A  50
GLY A  82
PHE A 180
LEU A  77
VAL A  47
 None
 0.96A 4o3fA-2a9vA:
2.5		 4o3fA-2a9vA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		5 GLY A 279
GLY A 277
THR A  36
LEU A  19
VAL A 311
 None
 0.96A 4o3fA-2cu2A:
undetectable		 4o3fA-2cu2A:
24.94
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
 0.41A 4o3fA-2cunA:
41.9		 4o3fA-2cunA:
33.86
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase) 		6 ALA A 350
GLY A 348
THR A 342
LEU A 379
GLY A 383
VAL A 384
 None
 0.70A 4o3fA-2d6fA:
2.9		 4o3fA-2d6fA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eez ALANINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 GLY A 259
ALA A 260
GLY A 153
GLY A 155
VAL A 156
 None
 0.89A 4o3fA-2eezA:
4.7		 4o3fA-2eezA:
24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 GLY A 190
ALA A 191
GLY A 194
PHE A 157
GLY A 166
 None
 0.85A 4o3fA-2fncA:
undetectable		 4o3fA-2fncA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.78A 4o3fA-2gh4A:
undetectable		 4o3fA-2gh4A:
22.39
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.
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
 0.91A 4o3fA-2i4nA:
undetectable		 4o3fA-2i4nA:
21.83
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) 		9 GLY A 192
ALA A 193
GLY A 216
PHE A 220
LEU A 234
MET A 288
LEU A 290
GLY A 317
VAL A 318
 None
 0.60A 4o3fA-2ie8A:
49.7		 4o3fA-2ie8A:
42.18
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.
2o1s 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		5 GLY A 566
ALA A 565
GLY A 564
LEU A 437
LEU A 587
 None
 0.63A 4o3fA-2o1sA:
2.8		 4o3fA-2o1sA:
20.45
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)
 0.51A 4o3fA-2paaA:
55.8		 4o3fA-2paaA:
83.93
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 4o3fA-2paaA:
55.8		 4o3fA-2paaA:
83.93
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.
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
 0.88A 4o3fA-2w48A:
2.5		 4o3fA-2w48A:
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.
2wfx HEDGEHOG-INTERACTING
PROTEIN

(Homo sapiens) 		PF07995
(GSDH) 		5 ALA B 436
PHE B 554
PHE B 486
LEU B 491
GLY B 433
 None
None
None
None
CA  B1670 ( 4.7A)
 0.95A 4o3fA-2wfxB:
undetectable		 4o3fA-2wfxB:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.79A 4o3fA-2wscL:
undetectable		 4o3fA-2wscL:
18.80
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.
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
 0.77A 4o3fA-2xivA:
undetectable		 4o3fA-2xivA:
20.14
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.
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
 0.82A 4o3fA-3ekmA:
undetectable		 4o3fA-3ekmA:
23.50
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.
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
 0.89A 4o3fA-3fj4A:
undetectable		 4o3fA-3fj4A:
25.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ALA A 449
GLY A 339
LEU A 334
GLY A 332
VAL A 333
 None
 0.94A 4o3fA-3gmeA:
undetectable		 4o3fA-3gmeA:
22.07
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.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		5 GLY A 689
GLY A 692
THR A 874
GLY A 687
VAL A 686
 SO4  A  16 ( 3.9A)
None
SO4  A   3 (-3.7A)
None
None
 0.94A 4o3fA-3k7dA:
undetectable		 4o3fA-3k7dA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY A4012
ALA A4013
GLY A4015
GLY A4014
GLY A4021
 None
 0.78A 4o3fA-3kciA:
undetectable		 4o3fA-3kciA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		5 GLY A 337
ALA A 338
GLY A 335
LEU A 304
GLY A 306
 None
 0.95A 4o3fA-3menA:
3.6		 4o3fA-3menA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nek NITROGEN
REPRESSOR-LIKE
PROTEIN MJ0159

(Methanocaldococcus
jannaschii) 		PF01995
(DUF128) 		5 GLY A 457
ALA A 456
GLY A 415
GLY A 416
PHE A 444
 GOL  A   1 ( 4.7A)
None
None
None
None
 0.81A 4o3fA-3nekA:
undetectable		 4o3fA-3nekA:
21.38
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) 		7 GLY A 213
ALA A 214
GLY A 237
GLY A 238
THR A 254
LEU A 256
GLY A 340
 SO4  A 501 (-3.2A)
SO4  A 501 (-3.6A)
None
None
None
None
None
 0.76A 4o3fA-3oz7A:
52.1		 4o3fA-3oz7A:
59.57
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 4o3fA-3oz7A:
52.1		 4o3fA-3oz7A:
59.57
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
 0.57A 4o3fA-3oz7A:
52.1		 4o3fA-3oz7A:
59.57
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.
3p4s FUMARATE REDUCTASE
SUBUNIT D

(Escherichia
coli) 		PF02313
(Fumarate_red_D) 		5 GLY D  18
ALA D  19
GLY D  21
GLY D  20
LEU D  73
 None
 0.92A 4o3fA-3p4sD:
undetectable		 4o3fA-3p4sD:
16.46
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) 		8 GLY A 199
GLY A 223
GLY A 224
PHE A 227
LEU A 241
MET A 295
LEU A 297
GLY A 324
 None
FMT  A 403 (-3.9A)
FMT  A 403 ( 4.8A)
FMT  A 403 (-4.4A)
None
None
None
FMT  A 403 ( 3.8A)
 0.47A 4o3fA-3q3vA:
51.0		 4o3fA-3q3vA:
45.14
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) 		8 GLY A 199
GLY A 223
GLY A 224
PHE A 227
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
FMT  A 403 ( 3.8A)
None
 0.42A 4o3fA-3q3vA:
51.0		 4o3fA-3q3vA:
45.14
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.
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
 0.82A 4o3fA-3s5sA:
undetectable		 4o3fA-3s5sA:
23.61
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.
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
 0.87A 4o3fA-3stjA:
undetectable		 4o3fA-3stjA:
23.36
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 299
ALA A 298
GLY A 297
LEU A  84
GLY A 167
 None
 0.93A 4o3fA-3t6sA:
undetectable		 4o3fA-3t6sA:
22.20
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
 0.49A 4o3fA-3uwdA:
49.9		 4o3fA-3uwdA:
47.62
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)
 0.63A 4o3fA-3uwdA:
49.9		 4o3fA-3uwdA:
47.62
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)
 1.03A 4o3fA-3uwdA:
49.9		 4o3fA-3uwdA:
47.62
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)
 0.50A 4o3fA-3zlbA:
46.1		 4o3fA-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.
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
 0.92A 4o3fA-4cczA:
undetectable		 4o3fA-4cczA:
23.37
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
 0.54A 4o3fA-4dg5A:
47.2		 4o3fA-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) 		9 GLY A 191
GLY A 215
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
None
SO4  A 401 ( 4.5A)
 0.71A 4o3fA-4ehjA:
23.8		 4o3fA-4ehjA:
43.36
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) 		6 GLY A 191
GLY A 215
PHE A 268
MET A 287
LEU A 289
VAL A 317
 None
None
None
None
None
SO4  A 401 ( 4.5A)
 1.16A 4o3fA-4ehjA:
23.8		 4o3fA-4ehjA:
43.36
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.
4fdb PROBABLE PRIMOSOMAL
REPLICATION PROTEIN
N

(Ralstonia
solanacearum) 		no annotation 5 GLY A  57
ALA A  56
GLY A  55
LEU A  54
PHE A  77
 None
 0.90A 4o3fA-4fdbA:
undetectable		 4o3fA-4fdbA:
13.43
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 GLY A 147
ALA A 148
GLY A 150
LEU A 152
GLY A 111
 None
 0.86A 4o3fA-4fddA:
undetectable		 4o3fA-4fddA:
20.75
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.
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
 0.88A 4o3fA-4fk8A:
2.1		 4o3fA-4fk8A:
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.
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)
 0.77A 4o3fA-4fwmA:
undetectable		 4o3fA-4fwmA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  27
ALA A 281
GLY A  23
GLY A  22
THR A 244
 None
None
FED  A 801 ( 4.7A)
FED  A 801 (-3.3A)
None
 0.96A 4o3fA-4h7uA:
undetectable		 4o3fA-4h7uA:
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.
4he4 YELLOW FLUORESCENT
PROTEIN

(Phialidium sp.
SL-2003) 		PF01353
(GFP) 		5 GLY A 127
GLY A 102
PHE A  98
GLY A 125
VAL A  22
 None
 0.96A 4o3fA-4he4A:
undetectable		 4o3fA-4he4A:
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
 0.80A 4o3fA-4heaL:
undetectable		 4o3fA-4heaL:
22.85
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		5 GLY A 115
ALA A 114
GLY A 111
LEU A 110
GLY A 124
 None
 0.93A 4o3fA-4hxyA:
4.1		 4o3fA-4hxyA:
21.20
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.
4kdx GLUTATHIONE
S-TRANSFERASE DOMAIN

(Paraburkholderia
graminis) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 GLY A  75
ALA A  74
GLY A  78
GLY A  79
LEU A  82
 None
 0.91A 4o3fA-4kdxA:
undetectable		 4o3fA-4kdxA:
19.24
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.
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
 0.83A 4o3fA-4lmpA:
4.8		 4o3fA-4lmpA:
22.40
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.
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
 0.91A 4o3fA-4n3oA:
undetectable		 4o3fA-4n3oA:
22.48
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) 		5 GLY A 194
GLY A 218
GLY A 219
LEU A 236
VAL A 320
 ADP  A 402 (-2.9A)
ADP  A 402 (-3.2A)
ADP  A 402 ( 4.6A)
ADP  A 402 ( 4.2A)
ADP  A 402 ( 4.2A)
 0.72A 4o3fA-4ng4A:
44.1		 4o3fA-4ng4A:
42.33
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) 		5 GLY A 194
GLY A 218
LEU A 236
GLY A 319
VAL A 320
 ADP  A 402 (-2.9A)
ADP  A 402 (-3.2A)
ADP  A 402 ( 4.2A)
MG  A 401 (-3.2A)
ADP  A 402 ( 4.2A)
 0.53A 4o3fA-4ng4A:
44.1		 4o3fA-4ng4A:
42.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q4g PEPTIDOGLYCAN
ENDOPEPTIDASE RIPA

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 GLY X1118
GLY X1100
GLY X1101
THR X1034
GLY X1109
 None
 0.79A 4o3fA-4q4gX:
undetectable		 4o3fA-4q4gX:
23.43
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 GLY A 102
THR A  80
LEU A  97
GLY A  42
VAL A  43
 None
 0.95A 4o3fA-4qdgA:
undetectable		 4o3fA-4qdgA:
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.
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
 0.93A 4o3fA-4tz5A:
undetectable		 4o3fA-4tz5A:
22.75
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.
4xiv CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		5 GLY A 414
ALA A 410
GLY A 451
LEU A 432
GLY A 530
 ACP  A 601 (-3.4A)
ACP  A 601 ( 4.3A)
None
None
None
 0.86A 4o3fA-4xivA:
undetectable		 4o3fA-4xivA:
22.95
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) 		5 GLY A 191
GLY A 215
GLY A 216
LEU A 233
MET A 292
 None
 0.88A 4o3fA-5bt8A:
42.9		 4o3fA-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 191
GLY A 215
LEU A 233
MET A 292
LEU A 294
VAL A 322
 None
 0.82A 4o3fA-5bt8A:
42.9		 4o3fA-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
 0.71A 4o3fA-5bt8A:
42.9		 4o3fA-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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		5 GLY A 157
ALA A 152
GLY A 154
GLY A 153
VAL A 135
 None
 0.82A 4o3fA-5h6sA:
undetectable		 4o3fA-5h6sA:
23.39
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.
5hm2 3C PROTEINASE

(Foot-and-mouth
disease virus) 		PF00548
(Peptidase_C3) 		5 GLY A 157
ALA A 156
GLY A 187
THR A 135
GLY A 185
 None
 0.95A 4o3fA-5hm2A:
undetectable		 4o3fA-5hm2A:
22.78
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.
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
 0.94A 4o3fA-5hpkA:
undetectable		 4o3fA-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.
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
 0.90A 4o3fA-5l9wA:
undetectable		 4o3fA-5l9wA:
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.
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
 0.85A 4o3fA-5m04A:
undetectable		 4o3fA-5m04A:
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.
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
 0.96A 4o3fA-5nn8A:
undetectable		 4o3fA-5nn8A:
18.31
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.
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
 0.75A 4o3fA-5oy00:
undetectable		 4o3fA-5oy00:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 4o3fA-5svcA:
undetectable		 4o3fA-5svcA:
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.
5ver KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 3

(Mus musculus) 		no annotation 5 GLY A 134
ALA A 135
GLY A 137
LEU A 139
LEU A 303
 PLP  A 701 (-3.2A)
PLP  A 701 (-3.4A)
None
None
None
 0.83A 4o3fA-5verA:
undetectable		 4o3fA-5verA:
21.88
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 ALA A  81
GLY A  83
GLY A  82
GLY A  73
VAL A  70
 None
 0.94A 4o3fA-6bvgA:
undetectable		 4o3fA-6bvgA:
12.63
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 ALA A  81
GLY A  83
GLY A  82
LEU A  88
VAL A  70
 None
 0.84A 4o3fA-6bvgA:
undetectable		 4o3fA-6bvgA:
12.63
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.
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
 0.79A 4o3fA-6eu6A:
undetectable		 4o3fA-6eu6A:
12.05
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.
6f45 -

(-) 		no annotation 5 GLY D 158
ALA D 205
GLY D 156
GLY D 206
GLY D 119
 None
 0.96A 4o3fA-6f45D:
undetectable		 4o3fA-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 195
ALA D 189
GLY D 169
GLY D 170
GLY D 186
 None
 0.79A 4o3fA-6f45D:
undetectable		 4o3fA-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.
6gy5 -

(-) 		no annotation 5 GLY A 357
GLY A 594
GLY A 593
LEU A 592
GLY A 324
 None
EDO  A 710 (-3.2A)
EDO  A 710 (-3.6A)
EDO  A 702 (-4.1A)
None
 0.95A 4o3fA-6gy5A:
undetectable		 4o3fA-6gy5A:
undetectable