SIMILAR PATTERNS OF AMINO ACIDS FOR 3E00_A_9CRA7223_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.
1akm ORNITHINE
TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A  65
ALA A  66
GLN A  69
ASN A  46
ILE A 103
 None
 0.99A 3e00A-1akmA:
undetectable		 3e00A-1akmA:
22.11
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ALA B 185
ALA B 186
ASN B 192
PHE B 139
ILE B 216
 None
 1.09A 3e00A-1e9yB:
undetectable		 3e00A-1e9yB:
21.15
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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 132
ASN A 141
ALA A 107
VAL A 239
ILE A 243
 None
 0.98A 3e00A-1hygA:
undetectable		 3e00A-1hygA:
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.
1i4e CASPASE-8

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 ASN B2240
PHE B2244
ARG B2248
ALA B2245
ILE B2323
 None
 1.00A 3e00A-1i4eB:
undetectable		 3e00A-1i4eB:
19.49
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.
1l8w VLSE1

(Borreliella
burgdorferi) 		PF00921
(Lipoprotein_2) 		5 ILE A 174
PHE A  74
ALA A  78
VAL A 236
ILE A 235
 None
 1.02A 3e00A-1l8wA:
undetectable		 3e00A-1l8wA:
24.62
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.
1lfb LIVER TRANSCRIPTION
FACTOR (LFB1)

(Rattus
norvegicus) 		PF00046
(Homeobox) 		5 PHE A  78
ARG A  82
ALA A  79
ILE A  23
CYH A  46
 None
 0.93A 3e00A-1lfbA:
undetectable		 3e00A-1lfbA:
11.40
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.
1n94 PROTEIN
FARNESYLTRANSFERASE
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 ALA B 258
ALA B 257
ALA B 204
VAL B 408
ILE B 403
 None
 1.06A 3e00A-1n94B:
undetectable		 3e00A-1n94B:
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		5 ILE A 179
ALA A 182
ALA A 183
ALA A 169
ILE A 200
 None
 0.91A 3e00A-1nmoA:
undetectable		 3e00A-1nmoA:
18.36
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.
1onf GLUTATHIONE
REDUCTASE

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  16
ALA A  17
VAL A 295
ILE A 293
CYH A 312
 None
 0.96A 3e00A-1onfA:
undetectable		 3e00A-1onfA:
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.
1ort ORNITHINE
TRANSCARBAMOYLASE

(Pseudomonas
aeruginosa) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A  66
ALA A  67
GLN A  70
ASN A  47
ILE A 104
 None
 0.91A 3e00A-1ortA:
undetectable		 3e00A-1ortA:
19.96
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.
1s2n EXTRACELLULAR
SUBTILISIN-LIKE
SERINE PROTEINASE

(Vibrio sp.
PA-44) 		PF00082
(Peptidase_S8) 		5 ALA A 231
ALA A 230
ALA A  86
VAL A 115
ILE A  36
 None
 1.00A 3e00A-1s2nA:
undetectable		 3e00A-1s2nA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdf THIOREDOXIN
REDUCTASE

(Escherichia
coli) 		PF07992
(Pyr_redox_2) 		5 ILE A 110
ALA A 284
ALA A  16
VAL A  87
ILE A 251
 None
None
FAD  A 500 (-3.4A)
None
FAD  A 500 ( 4.3A)
 1.03A 3e00A-1tdfA:
undetectable		 3e00A-1tdfA:
21.19
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.
1u7n FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Enterococcus
faecalis) 		PF02504
(FA_synthesis) 		5 ALA A 219
ASN A 216
ARG A 167
VAL A 232
ILE A 236
 None
 1.01A 3e00A-1u7nA:
undetectable		 3e00A-1u7nA:
21.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 ILE A 339
ALA A 342
ALA A 343
GLN A 346
TRP A 376
ASN A 377
PHE A 384
ARG A 387
ALA A 398
VAL A 413
ILE A 416
CYH A 503
 MEI  A1001 (-3.8A)
MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
None
None
None
MEI  A1001 (-4.5A)
MEI  A1001 (-3.6A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.1A)
None
MEI  A1001 (-4.0A)
 0.72A 3e00A-1uhlA:
33.5		 3e00A-1uhlA:
66.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		12 ILE A 242
ALA A 245
ALA A 246
GLN A 249
TRP A 279
ASN A 280
PHE A 287
ARG A 290
ALA A 301
VAL A 316
ILE A 319
CYH A 406
 9CR  A 201 ( 4.4A)
9CR  A 201 (-3.6A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
None
None
9CR  A 201 (-4.7A)
9CR  A 201 (-2.8A)
9CR  A 201 (-3.4A)
9CR  A 201 (-4.2A)
None
9CR  A 201 (-3.6A)
 0.47A 3e00A-1xiuA:
31.1		 3e00A-1xiuA:
62.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 ILE A 268
ALA A 271
ALA A 272
GLN A 275
TRP A 305
ASN A 306
PHE A 313
ARG A 316
ALA A 327
VAL A 342
ILE A 345
CYH A 432
 9CR  A 801 (-3.9A)
9CR  A 801 (-3.6A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.7A)
None
None
9CR  A 801 (-4.3A)
9CR  A 801 (-2.6A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 4.3A)
9CR  A 801 ( 4.5A)
9CR  A 801 ( 3.7A)
 0.42A 3e00A-1xlsA:
33.3		 3e00A-1xlsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ILE A 268
ALA A 271
GLN A 275
PHE A 313
VAL A 342
ILE A 345
 9CR  A 801 (-3.9A)
9CR  A 801 (-3.6A)
9CR  A 801 (-4.7A)
9CR  A 801 (-4.3A)
9CR  A 801 ( 4.3A)
9CR  A 801 ( 4.5A)
 1.37A 3e00A-1xlsA:
33.3		 3e00A-1xlsA:
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		5 ILE B 318
ALA B 317
ASN B 199
PHE B 333
ILE B  20
 None
None
None
FAD  B 800 ( 4.9A)
None
 1.07A 3e00A-1y56B:
undetectable		 3e00A-1y56B:
20.96
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.
1yt5 INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Thermotoga
maritima) 		PF01513
(NAD_kinase) 		5 ILE A 134
ALA A 148
ASN A 210
ALA A 184
ILE A 224
 None
 1.08A 3e00A-1yt5A:
undetectable		 3e00A-1yt5A:
18.57
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 ALA A 452
ALA A 451
GLN A 453
ALA A 435
VAL A 356
ILE A 418
 None
None
GOL  A3003 ( 3.8A)
None
None
None
 1.18A 3e00A-1zk7A:
undetectable		 3e00A-1zk7A:
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.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Aquifex
aeolicus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 174
ALA A 176
ALA A 223
VAL A 165
ILE A   5
 None
 0.97A 3e00A-2ebdA:
undetectable		 3e00A-2ebdA:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 TRP A  84
PHE A  92
ARG A  95
ALA A 106
VAL A 121
ILE A 124
CYH A 211
 None
 0.71A 3e00A-2gl8A:
27.5		 3e00A-2gl8A:
48.28
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.
2isj BLUB

(Sinorhizobium
meliloti) 		PF00881
(Nitroreductase) 		5 ILE A 168
ALA A  91
ARG A 104
ALA A  92
ILE A 111
 FMN  A 502 (-4.5A)
None
None
None
None
 0.90A 3e00A-2isjA:
undetectable		 3e00A-2isjA:
18.90
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.
2jli YOP PROTEINS
TRANSLOCATION
PROTEIN

(Yersinia pestis) 		PF01312
(Bac_export_2) 		5 ILE A 269
GLN A 330
ALA A 315
VAL A 295
ILE A 306
 None
 1.08A 3e00A-2jliA:
undetectable		 3e00A-2jliA:
15.48
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.
2mpk CHITIN SYNTHASE 1

(Saprolegnia
monoica) 		PF04212
(MIT) 		5 ILE A  37
ALA A  40
ALA A  41
ASN A  51
VAL A  60
 None
 0.95A 3e00A-2mpkA:
undetectable		 3e00A-2mpkA:
10.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q60 RETINOID X RECEPTOR

(Polyandrocarpa
misakiensis) 		PF00104
(Hormone_recep) 		8 TRP A 180
ASN A 181
PHE A 188
ARG A 191
ALA A 202
VAL A 217
ILE A 220
CYH A 307
 None
 0.59A 3e00A-2q60A:
27.1		 3e00A-2q60A:
43.07
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.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 ILE A 728
ALA A 732
ALA A 731
ALA A 600
ILE A 479
 None
None
B12  A 800 ( 4.4A)
None
None
 1.06A 3e00A-2xijA:
undetectable		 3e00A-2xijA:
21.61
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.
3ce1 SUPEROXIDE DISMUTASE
[CU-ZN]

(Naganishia
liquefaciens) 		PF00080
(Sod_Cu) 		5 ILE A 123
ALA A 149
ASN A  40
ALA A 146
VAL A 101
 None
 0.90A 3e00A-3ce1A:
undetectable		 3e00A-3ce1A:
16.81
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.
3cqf THIOL-ACTIVATED
CYTOLYSIN

(Bacillus
anthracis) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 ILE A 499
ALA A 417
GLN A 418
TRP A 441
ILE A 510
 None
 1.07A 3e00A-3cqfA:
undetectable		 3e00A-3cqfA:
23.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 ALA A 271
ALA A 272
GLN A 275
TRP A 305
ASN A 306
PHE A 313
ARG A 316
VAL A 342
ILE A 345
 9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
None
9CR  A7223 (-3.9A)
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.5A)
9CR  A7223 ( 4.9A)
 0.74A 3e00A-3dzuA:
34.6		 3e00A-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		10 ILE A 268
ALA A 271
ALA A 272
GLN A 275
TRP A 305
PHE A 313
ARG A 316
ALA A 327
VAL A 342
CYH A 432
 9CR  A7223 (-3.9A)
9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
None
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.7A)
9CR  A7223 ( 4.5A)
9CR  A7223 (-3.8A)
 0.60A 3e00A-3dzuA:
34.6		 3e00A-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		10 ILE A 268
ALA A 271
ALA A 272
GLN A 275
TRP A 305
PHE A 313
ARG A 316
VAL A 342
ILE A 345
CYH A 432
 9CR  A7223 (-3.9A)
9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
None
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.5A)
9CR  A7223 ( 4.9A)
9CR  A7223 (-3.8A)
 0.51A 3e00A-3dzuA:
34.6		 3e00A-3dzuA:
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.
3e82 PUTATIVE
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ALA A 340
ALA A 341
GLN A 351
ASN A 209
ILE A 235
 None
 0.83A 3e00A-3e82A:
undetectable		 3e00A-3e82A:
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.
3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)

(Streptococcus
mutans) 		PF00215
(OMPdecase) 		6 ILE A 199
ALA A 208
ALA A 206
ASN A  29
ALA A 211
ILE A  34
 None
 1.35A 3e00A-3exsA:
undetectable		 3e00A-3exsA:
18.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eyb NUCLEAR HORMONE
RECEPTOR RXR

(Branchiostoma
floridae) 		PF00104
(Hormone_recep) 		5 ASN A 335
PHE A 342
VAL A 371
ILE A 374
CYH A 461
 None
 0.76A 3e00A-3eybA:
28.2		 3e00A-3eybA:
84.14
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.
3fg2 PUTATIVE RUBREDOXIN
REDUCTASE

(Rhodopseudomonas
palustris) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 ILE P 273
ALA P  12
ALA P  17
VAL P 259
ILE P 257
 None
FAD  P 449 (-3.1A)
None
None
None
 0.99A 3e00A-3fg2P:
undetectable		 3e00A-3fg2P:
21.19
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.
3fi8 CHOLINE KINASE

(Plasmodium
falciparum) 		PF01633
(Choline_kinase) 		5 ILE A 323
ALA A 319
ALA A 385
GLN A 384
ALA A 316
 OPE  A 442 ( 4.8A)
None
OPE  A 442 ( 4.0A)
None
None
 1.03A 3e00A-3fi8A:
undetectable		 3e00A-3fi8A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fq8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		5 ILE A1275
PHE A1119
ALA A1312
VAL A1111
ILE A1114
 None
 1.07A 3e00A-3fq8A:
undetectable		 3e00A-3fq8A:
22.31
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.
3h9j MCCB PROTEIN

(Escherichia
coli) 		PF00899
(ThiF) 		5 ALA A 300
ALA A 299
ASN A 128
VAL A 118
ILE A 142
 None
 1.01A 3e00A-3h9jA:
undetectable		 3e00A-3h9jA:
21.19
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.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ALA A 268
ALA A 215
VAL A 344
ILE A 298
CYH A 227
 None
None
None
NAD  A 438 (-4.4A)
None
 1.09A 3e00A-3h9uA:
undetectable		 3e00A-3h9uA:
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.
3ic6 PUTATIVE METHYLASE
FAMILY PROTEIN

(Neisseria
gonorrhoeae) 		PF00588
(SpoU_methylase) 		5 ILE A  28
ALA A  31
ALA A  32
ASN A  89
ILE A  92
 None
 1.04A 3e00A-3ic6A:
undetectable		 3e00A-3ic6A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  17
ALA A  18
VAL A 277
ILE A 275
CYH A 294
 None
 0.94A 3e00A-3iwaA:
undetectable		 3e00A-3iwaA:
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.
3jvd TRANSCRIPTIONAL
REGULATORS

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		5 ILE A 196
ALA A 199
ALA A 200
ASN A 176
VAL A 181
 None
 0.87A 3e00A-3jvdA:
undetectable		 3e00A-3jvdA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 176
ALA A 266
ALA A 265
ALA A 143
VAL A 245
 None
 1.06A 3e00A-3l8kA:
undetectable		 3e00A-3l8kA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lqy PUTATIVE
ISOCHORISMATASE
HYDROLASE

(Oleispira
antarctica) 		PF00857
(Isochorismatase) 		5 ALA A 146
ALA A  35
GLN A  38
ALA A 182
ILE A  77
 None
 0.98A 3e00A-3lqyA:
undetectable		 3e00A-3lqyA:
16.89
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 ILE A 343
ALA A 342
TRP A 469
ALA A 338
ILE A 562
 None
 1.08A 3e00A-3n05A:
undetectable		 3e00A-3n05A:
21.78
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.
3o85 RIBOSOMAL PROTEIN
L7AE

(Giardia
intestinalis) 		PF01248
(Ribosomal_L7Ae) 		5 ILE A 101
ALA A  99
ALA A  39
VAL A 110
ILE A 114
 None
 1.07A 3e00A-3o85A:
undetectable		 3e00A-3o85A:
16.21
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ILE A 141
ALA A 143
GLN A  14
VAL A  91
ILE A 187
 None
 1.01A 3e00A-3pfeA:
undetectable		 3e00A-3pfeA:
23.98
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ALA C 184
ALA C 185
ASN C 191
PHE C 138
ILE C 215
 None
 1.04A 3e00A-3qgkC:
undetectable		 3e00A-3qgkC:
21.11
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.
3qr8 BASEPLATE ASSEMBLY
PROTEIN V

(Escherichia
virus P2) 		PF04717
(Phage_base_V) 		5 ILE A  69
ALA A  71
ALA A  79
ILE A  23
CYH A  33
 None
 1.04A 3e00A-3qr8A:
undetectable		 3e00A-3qr8A:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uma HYPOTHETICAL
PEROXIREDOXIN
PROTEIN

(Sinorhizobium
meliloti) 		PF08534
(Redoxin) 		5 ILE A 110
ALA A 109
ASN A  11
ALA A 104
VAL A 137
 None
 1.09A 3e00A-3umaA:
undetectable		 3e00A-3umaA:
19.06
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		5 ALA A 177
PHE A  87
ALA A  86
VAL A 335
ILE A 332
 None
 1.02A 3e00A-3wc3A:
undetectable		 3e00A-3wc3A:
23.05
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		5 ALA A 178
ALA A 177
PHE A  87
ALA A  86
ILE A 332
 None
 0.95A 3e00A-3wc3A:
undetectable		 3e00A-3wc3A:
23.05
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.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ALA A  48
ALA A  47
GLN A  49
ALA A  71
VAL A 126
 None
None
None
None
NAD  A 301 (-3.8A)
 1.08A 3e00A-4cqlA:
undetectable		 3e00A-4cqlA:
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.
4di5 5-EPI-ARISTOLOCHENE
SYNTHASE

(Nicotiana
tabacum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ILE A 432
ALA A 435
ASN A 511
ALA A 487
VAL A 501
 None
 1.08A 3e00A-4di5A:
undetectable		 3e00A-4di5A:
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.
4ds3 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Brucella
melitensis) 		PF00551
(Formyl_trans_N) 		5 ALA A  24
ALA A  23
GLN A  25
VAL A 139
ILE A 110
 None
 0.89A 3e00A-4ds3A:
undetectable		 3e00A-4ds3A:
20.67
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.
4e6u ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ILE A 221
ALA A 231
GLN A 234
VAL A 184
ILE A 196
 None
 1.02A 3e00A-4e6uA:
undetectable		 3e00A-4e6uA:
19.92
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.
4fdw LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF07523
(Big_3)
PF13306
(LRR_5) 		5 ALA A 290
GLN A 269
VAL A 280
ILE A 277
CYH A 297
 None
 1.08A 3e00A-4fdwA:
undetectable		 3e00A-4fdwA:
20.89
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.
4gk6 DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE

(Mycobacteroides
abscessus) 		PF00692
(dUTPase) 		5 ILE A 107
ALA A 108
GLN A 109
VAL A  31
ILE A  33
 None
 1.07A 3e00A-4gk6A:
undetectable		 3e00A-4gk6A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7o SERINE
ACETYLTRANSFERASE

(Vibrio cholerae) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 ILE A 150
ALA A 148
ALA A 117
VAL A 174
ILE A 176
 None
 0.98A 3e00A-4h7oA:
undetectable		 3e00A-4h7oA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hsc STREPTOLYSIN O

(Streptococcus
pyogenes) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 ILE X 557
ALA X 475
GLN X 476
TRP X 499
ILE X 568
 None
 1.00A 3e00A-4hscX:
undetectable		 3e00A-4hscX:
21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 11 ILE D 268
ALA D 271
ALA D 272
GLN D 275
TRP D 305
ASN D 306
PHE D 313
ALA D 327
VAL D 342
ILE D 345
CYH D 432
 None
 0.67A 3e00A-4j5xD:
32.2		 3e00A-4j5xD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 11 ILE D 268
ALA D 271
ALA D 272
GLN D 275
TRP D 305
PHE D 313
ARG D 316
ALA D 327
VAL D 342
ILE D 345
CYH D 432
 None
 0.58A 3e00A-4j5xD:
32.2		 3e00A-4j5xD:
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		5 ILE A 526
ALA A 522
ALA A 515
VAL A 606
ILE A 635
 None
 1.01A 3e00A-4jc8A:
undetectable		 3e00A-4jc8A:
20.39
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.
4jqo ORNITHINE
CARBAMOYLTRANSFERASE

(Vibrio
vulnificus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A  67
ALA A  68
GLN A  71
ASN A  48
ILE A 105
 None
 0.97A 3e00A-4jqoA:
undetectable		 3e00A-4jqoA:
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.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		5 ALA A 822
ALA A 821
VAL A 915
ILE A 840
CYH A 837
 None
 0.96A 3e00A-4kf7A:
undetectable		 3e00A-4kf7A:
18.40
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 ALA A 202
ALA A 171
ALA A 215
VAL A 147
ILE A 261
 None
 1.00A 3e00A-4kzkA:
undetectable		 3e00A-4kzkA:
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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 ALA A 267
ALA A  42
ALA A 264
VAL A  53
ILE A  89
 PEG  A 410 (-3.6A)
PEG  A 410 (-3.4A)
None
None
None
 1.08A 3e00A-4lrsA:
undetectable		 3e00A-4lrsA:
20.74
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.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ALA A 310
ALA A 257
ALA A 306
VAL A 384
ILE A 340
 None
None
None
None
NAD  A 503 (-4.3A)
 0.94A 3e00A-4lvcA:
undetectable		 3e00A-4lvcA:
21.42
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.
4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A  90
GLN A  93
ALA A  52
VAL A 134
CYH A 103
 None
 1.03A 3e00A-4nhdA:
undetectable		 3e00A-4nhdA:
22.15
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.
4nn1 TRANSCRIPTIONAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		5 ILE A  12
ALA A  15
ALA A  16
GLN A  19
ALA A  35
 None
 0.56A 3e00A-4nn1A:
undetectable		 3e00A-4nn1A:
18.87
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.
4pfm 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Shewanella
benthica) 		PF00701
(DHDPS) 		5 ILE A  74
ALA A  38
ASN A   3
ALA A   8
ILE A 158
 None
None
None
KPI  A 161 ( 3.4A)
None
 1.04A 3e00A-4pfmA:
undetectable		 3e00A-4pfmA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pq9 BETA-1,3-GLUCANASE

(Mycobacterium
marinum) 		PF00722
(Glyco_hydro_16) 		6 ILE A  90
ALA A 101
ALA A  92
ARG A  55
VAL A 252
ILE A 120
 None
 1.38A 3e00A-4pq9A:
undetectable		 3e00A-4pq9A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ILE A 244
GLN A 265
ASN A 258
VAL A 189
ILE A 198
 None
 0.92A 3e00A-4tqkA:
undetectable		 3e00A-4tqkA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 ILE A 585
ALA A 586
GLN A 587
ALA A 564
ILE A 156
 None
 1.06A 3e00A-4txgA:
undetectable		 3e00A-4txgA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w8b EXO-XYLOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		5 ALA A 381
ALA A 386
GLN A 374
ASN A 400
PHE A 375
 None
 1.08A 3e00A-4w8bA:
undetectable		 3e00A-4w8bA:
21.18
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.
4wzs SIMILARITY TO
HELICASE MOT1

(Encephalitozoon
cuniculi) 		no annotation 5 ILE C 263
ALA C 227
ALA C 264
ALA C 226
ILE C 293
 None
 1.08A 3e00A-4wzsC:
undetectable		 3e00A-4wzsC:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xi8 BARTONELLA EFFECTOR
PROTEIN (BEP)
SUBSTRATE OF VIRB
T4SS

(Bartonella
clarridgeiae) 		PF02661
(Fic) 		5 ILE A 163
ALA A 166
ALA A 167
VAL A 138
ILE A 116
 None
 1.08A 3e00A-4xi8A:
undetectable		 3e00A-4xi8A:
20.98
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.
4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A

(Thermotoga
maritima) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ALA B 155
ALA B 156
ASN B 206
ALA B 452
VAL B 213
 None
None
None
None
FAD  B 503 (-3.9A)
 1.00A 3e00A-4yryB:
undetectable		 3e00A-4yryB:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dle PTS SYSTEM,
FRUCTOSE-SPECIFIC
IIABC COMPONENT

(Borreliella
burgdorferi) 		PF02302
(PTS_IIB) 		5 ALA A 182
ALA A 183
ASN A 209
ALA A 225
ILE A 205
 None
 1.01A 3e00A-5dleA:
undetectable		 3e00A-5dleA:
14.22
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.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1

(Fervidobacterium
islandicum) 		PF02074
(Peptidase_M32) 		5 ALA A 415
GLN A 416
ASN A 411
VAL A 174
ILE A 171
 None
 1.08A 3e00A-5e3xA:
undetectable		 3e00A-5e3xA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 ILE A 240
ALA A 196
ASN A 207
VAL A 247
ILE A 226
 None
 1.04A 3e00A-5eefA:
undetectable		 3e00A-5eefA:
19.29
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.
5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN

(Snake
atadenovirus A) 		PF01696
(Adeno_E1B_55K) 		5 ILE A 179
ALA A 145
VAL A 165
ILE A 132
CYH A 127
 None
 0.99A 3e00A-5g5nA:
undetectable		 3e00A-5g5nA:
18.75
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 151
ALA A 192
GLN A 152
VAL A 250
ILE A 261
 None
 0.96A 3e00A-5h3kA:
undetectable		 3e00A-5h3kA:
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		5 ILE A 276
PHE A 120
ALA A 313
VAL A 112
ILE A 115
 None
 1.05A 3e00A-5hdmA:
undetectable		 3e00A-5hdmA:
23.32
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.
5huj NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptococcus
pyogenes) 		PF02540
(NAD_synthase) 		5 ALA A 110
PHE A 108
ALA A 107
VAL A  35
ILE A  31
 None
 1.06A 3e00A-5hujA:
undetectable		 3e00A-5hujA:
21.14
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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A 163
ALA A  57
ARG A  63
ALA A  13
ILE A  75
 None
 1.09A 3e00A-5hwqA:
undetectable		 3e00A-5hwqA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jvh 50S RIBOSOMAL
PROTEIN L13

(Deinococcus
radiodurans) 		PF00572
(Ribosomal_L13) 		5 ILE G  58
ALA G  55
ASN G  84
ALA G 130
VAL G  42
 None
None
None
G  X1149 ( 3.2A)
None
 0.99A 3e00A-5jvhG:
undetectable		 3e00A-5jvhG:
18.65
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.
5l6m RIBONUCLEASE VAPC

(Caulobacter
vibrioides) 		PF01850
(PIN) 		5 ILE B  82
ALA B 100
ALA B  99
GLN B 101
ALA B  75
 None
 1.04A 3e00A-5l6mB:
undetectable		 3e00A-5l6mB:
15.35
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.
5tgn UNCHARACTERIZED
PROTEIN

(Sphaerobacter
thermophilus) 		PF12680
(SnoaL_2) 		5 ALA A  52
PHE A  49
ALA A  48
VAL A  77
ILE A  87
 None
None
None
None
GOL  A 202 ( 4.5A)
 1.08A 3e00A-5tgnA:
undetectable		 3e00A-5tgnA:
12.36
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.
5u63 THIOREDOXIN
REDUCTASE

(Haemophilus
influenzae) 		PF07992
(Pyr_redox_2) 		5 ILE A 111
ALA A 284
ALA A  17
VAL A  88
ILE A 251
 None
None
FAD  A 401 (-3.4A)
None
FAD  A 401 ( 4.8A)
 1.07A 3e00A-5u63A:
undetectable		 3e00A-5u63A:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 7 ALA A 271
ALA A 272
GLN A 275
PHE A 313
ARG A 316
ALA A 327
ILE A 428
 9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.8A)
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-3.4A)
None
 1.32A 3e00A-5uanA:
33.5		 3e00A-5uanA:
78.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 12 ILE A 268
ALA A 271
ALA A 272
GLN A 275
TRP A 305
ASN A 306
PHE A 313
ARG A 316
ALA A 327
VAL A 342
ILE A 345
CYH A 432
 9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.8A)
None
None
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-3.4A)
None
None
9CR  A 503 (-3.3A)
 0.56A 3e00A-5uanA:
33.5		 3e00A-5uanA:
78.16
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.
5v6d NUCLEOSIDE
DIPHOSPHATE KINASE

(Neisseria
gonorrhoeae) 		PF00334
(NDK) 		6 ILE A  23
ALA A 115
ALA A  14
ASN A  18
PHE A 107
ALA A 108
 None
 1.38A 3e00A-5v6dA:
undetectable		 3e00A-5v6dA:
16.70
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.
5xxu RIBOSOMAL PROTEIN
US10
RIBOSOMAL PROTEIN
US14
RIBOSOMAL PROTEIN
US3

(Toxoplasma
gondii) 		PF00189
(Ribosomal_S3_C)
PF00338
(Ribosomal_S10)
PF07650
(KH_2) 		5 ALA D  21
GLN D  20
ASN d  46
VAL d  29
ILE U 177
 None
None
None
G  21194 ( 4.4A)
None
 1.02A 3e00A-5xxuD:
undetectable		 3e00A-5xxuD:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c2h CYSTATHIONINE
BETA-SYNTHASE

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A  39
ALA A 315
ALA A  41
PHE A 294
ALA A 293
 None
 1.01A 3e00A-6c2hA:
undetectable		 3e00A-6c2hA:
11.18
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 ALA A  20
ALA A  21
ALA A 329
VAL A 126
ILE A 137
 None
 0.97A 3e00A-6cmzA:
undetectable		 3e00A-6cmzA:
12.69
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.
6ewj PUTATIVE CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 ILE A  65
ALA A  61
ALA A 209
ALA A  58
VAL A 166
 None
 1.03A 3e00A-6ewjA:
undetectable		 3e00A-6ewjA:
12.44
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.
6g0c UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA

(Legionella
pneumophila) 		no annotation 5 ILE A 326
ALA A 329
ASN A 404
VAL A 293
ILE A 315
 None
None
1PS  A1001 (-2.9A)
None
None
 1.07A 3e00A-6g0cA:
2.7		 3e00A-6g0cA:
10.96
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.
6gdg TRXA,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ALA A 203
ALA A 204
GLN A 207
VAL A 239
ILE A 238
 None
 1.07A 3e00A-6gdgA:
undetectable		 3e00A-6gdgA:
8.57