SIMILAR PATTERNS OF AMINO ACIDS FOR 4XLD_A_BRLA502_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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		5 GLY A 126
CYH A  79
LEU A 294
LEU A 370
TYR A 371
 None
 1.28A 4xldA-1h79A:
0.0		 4xldA-1h79A:
20.62
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.
1jiu DNA
BETA-GLUCOSYLTRANSFE
RASE

(Escherichia
virus T4) 		PF09198
(T4-Gluco-transf) 		5 GLY A   9
SER A  82
TYR A 121
LEU A 126
LEU A  42
 None
 1.36A 4xldA-1jiuA:
undetectable		 4xldA-1jiuA:
23.34
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.
1nez H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, TLA(C)
ALPHA CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 GLY A 162
SER A 167
TYR A  59
LEU A   5
TYR A   7
 None
 1.42A 4xldA-1nezA:
0.0		 4xldA-1nezA:
22.32
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.
1pio BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 GLY A 236
SER A  72
LEU A 190
PHE A 264
LEU A 169
 None
 1.39A 4xldA-1pioA:
undetectable		 4xldA-1pioA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ycd HYPOTHETICAL 27.3
KDA PROTEIN IN
AAP1-SMF2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF03959
(FSH1) 		5 PHE A 144
SER A 117
LEU A  11
PHE A  75
LEU A 194
 None
 1.42A 4xldA-1ycdA:
0.0		 4xldA-1ycdA:
24.44
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.
1ycq MDM2

(Xenopus laevis) 		PF02201
(SWIB) 		5 PHE A  82
GLY A  79
CYH A  73
PHE A  87
LEU A  33
 None
 1.32A 4xldA-1ycqA:
undetectable		 4xldA-1ycqA:
16.60
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.
1zzg GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF00342
(PGI) 		5 TYR A 362
LEU A 364
PHE A 261
HIS A 245
LEU A 388
 None
 1.40A 4xldA-1zzgA:
0.0		 4xldA-1zzgA:
22.33
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 PHE A 509
GLY A 531
LEU A 608
MET A 543
LEU A 449
 None
 1.39A 4xldA-2bklA:
0.0		 4xldA-2bklA:
17.76
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.
2cxe RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Pyrococcus
horikoshii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 PHE A 138
GLY A 139
LEU A 154
PHE A 146
MET A 147
 None
 1.35A 4xldA-2cxeA:
undetectable		 4xldA-2cxeA:
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.
2cxe RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Pyrococcus
horikoshii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 PHE A 138
GLY A 139
LEU A 184
PHE A 146
MET A 147
 None
 1.20A 4xldA-2cxeA:
undetectable		 4xldA-2cxeA:
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.
2i0z NAD(FAD)-UTILIZING
DEHYDROGENASES

(Bacillus cereus) 		PF03486
(HI0933_like) 		5 GLY A 243
TYR A 311
LEU A 213
PHE A 204
LEU A 220
 None
 1.48A 4xldA-2i0zA:
undetectable		 4xldA-2i0zA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 PHE A 273
CYH A 276
SER A 280
LEU A 321
MET A 355
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.81A 4xldA-2p54A:
36.7		 4xldA-2p54A:
61.94
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.
2qml BH2621 PROTEIN

(Bacillus
halodurans) 		PF13523
(Acetyltransf_8) 		5 PHE A 185
GLY A 161
CYH A 180
PHE A 134
LEU A 126
 None
 1.35A 4xldA-2qmlA:
undetectable		 4xldA-2qmlA:
22.33
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.
2vad RED FLUORESCENT
PROTEIN

(Discosoma sp.) 		PF01353
(GFP) 		5 SER A  62
PHE A 177
MET A  97
HIS A 163
LEU A 199
 None
None
None
CRQ  A  66 ( 3.9A)
CRQ  A  66 ( 4.0A)
 1.36A 4xldA-2vadA:
undetectable		 4xldA-2vadA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 PHE A  92
GLY A  94
LEU A 342
PHE A 332
LEU A 359
 None
 1.28A 4xldA-2wyoA:
undetectable		 4xldA-2wyoA:
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.
2z6b BASEPLATE STRUCTURAL
PROTEIN GP27

(Escherichia
virus T4) 		PF09096
(Phage-tail_2)
PF09097
(Phage-tail_1) 		5 PHE D 234
CYH D 310
LEU D 318
PHE D 326
MET D 211
 None
 0.99A 4xldA-2z6bD:
undetectable		 4xldA-2z6bD:
21.03
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 GLY B 200
CYH B 202
SER B 206
LEU B 321
TYR B 325
 None
 0.95A 4xldA-3aqcB:
undetectable		 4xldA-3aqcB:
22.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 PHE A 282
GLY A 284
CYH A 285
SER A 289
HIS A 323
TYR A 327
LEU A 330
MET A 364
HIS A 449
LEU A 469
TYR A 473
 MC5  A   1 (-4.4A)
MC5  A   1 ( 4.5A)
MC5  A   1 (-3.6A)
MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
None
MC5  A   1 (-4.4A)
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.48A 4xldA-3b0qA:
39.8		 4xldA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 PHE A 282
GLY A 284
CYH A 285
SER A 289
LEU A 330
PHE A 363
MET A 364
 MC5  A   1 (-4.4A)
MC5  A   1 ( 4.5A)
MC5  A   1 (-3.6A)
MC5  A   1 (-2.6A)
MC5  A   1 (-4.4A)
None
MC5  A   1 (-3.7A)
 0.87A 4xldA-3b0qA:
39.8		 4xldA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 SER A 289
HIS A 323
PHE A 282
HIS A 449
TYR A 473
 MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.9A)
 1.12A 4xldA-3b0qA:
39.8		 4xldA-3b0qA:
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.
3d54 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 1

(Thermotoga
maritima) 		PF13507
(GATase_5) 		5 GLY D  84
TYR D 159
LEU D 157
HIS D 142
LEU D 102
 None
 1.18A 4xldA-3d54D:
undetectable		 4xldA-3d54D:
21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 PHE A 282
CYH A 285
HIS A 323
LEU A 330
HIS A 449
LEU A 469
TYR A 473
 L41  A 501 ( 4.9A)
L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 (-3.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 0.65A 4xldA-3d5fA:
36.5		 4xldA-3d5fA:
62.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 GLY D 284
CYH D 285
TYR D 473
LEU D 469
HIS D 449
 PLB  D 701 (-3.3A)
PLB  D 701 (-3.2A)
None
None
None
 1.42A 4xldA-3dzuD:
37.2		 4xldA-3dzuD:
69.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 PHE D 282
CYH D 285
TYR D 327
LEU D 330
HIS D 449
 None
PLB  D 701 (-3.2A)
None
PLB  D 701 ( 4.1A)
None
 1.09A 4xldA-3dzuD:
37.2		 4xldA-3dzuD:
69.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 PHE D 282
GLY D 284
CYH D 285
LEU D 330
MET D 364
HIS D 449
 None
PLB  D 701 (-3.3A)
PLB  D 701 (-3.2A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
 0.96A 4xldA-3dzuD:
37.2		 4xldA-3dzuD:
69.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		8 PHE D 282
GLY D 284
SER D 289
LEU D 330
MET D 364
HIS D 449
LEU D 469
TYR D 473
 None
PLB  D 701 (-3.3A)
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
None
 0.79A 4xldA-3dzuD:
37.2		 4xldA-3dzuD:
69.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 PHE D 282
HIS D 323
TYR D 327
HIS D 449
TYR D 473
 None
 1.03A 4xldA-3dzuD:
37.2		 4xldA-3dzuD:
69.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 PHE D 282
TYR D 327
LEU D 330
HIS D 449
LEU D 469
TYR D 473
 None
None
PLB  D 701 ( 4.1A)
None
None
None
 0.86A 4xldA-3dzuD:
37.2		 4xldA-3dzuD:
69.12
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		5 GLY A 416
TYR A  89
LEU A 109
PHE A 471
LEU A  97
 None
 1.30A 4xldA-3gyxA:
undetectable		 4xldA-3gyxA:
18.11
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		5 PHE A1101
GLY A1147
LEU A1255
HIS A1468
LEU A1363
 None
None
None
None
WW2  A 193 (-3.8A)
 1.40A 4xldA-3k9bA:
undetectable		 4xldA-3k9bA:
19.41
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.
3m5w TRYPTOPHANYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00579
(tRNA-synt_1b) 		5 PHE A  19
GLY A  16
LEU A 207
PHE A 239
LEU A  67
 None
 1.07A 4xldA-3m5wA:
undetectable		 4xldA-3m5wA:
23.80
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.
3otl PUTATIVE
UNCHARACTERIZED
PROTEIN

(Rhizobium
leguminosarum) 		PF08327
(AHSA1) 		5 PHE A  25
LEU A 143
PHE A 108
MET A 117
TYR A  77
 None
 1.16A 4xldA-3otlA:
undetectable		 4xldA-3otlA:
19.18
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.
3qc0 SUGAR ISOMERASE

(Sinorhizobium
meliloti) 		PF01261
(AP_endonuc_2) 		5 GLY A 219
HIS A 144
TYR A 147
LEU A 215
HIS A 179
 None
None
UNL  A 300 ( 4.2A)
UNL  A 300 ( 4.5A)
UNL  A 300 ( 4.1A)
 1.38A 4xldA-3qc0A:
undetectable		 4xldA-3qc0A:
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.
3qqc DNA-DIRECTED RNA
POLYMERASE SUBUNIT
B, DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A', DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Pyrococcus
furiosus) 		PF04560
(RNA_pol_Rpb2_7)
PF04997
(RNA_pol_Rpb1_1) 		5 LEU A  77
PHE A 135
MET A  85
LEU A 365
TYR A 343
 None
 1.34A 4xldA-3qqcA:
undetectable		 4xldA-3qqcA:
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.
3sb4 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13306
(LRR_5) 		5 PHE A 289
GLY A 285
LEU A 332
PHE A 313
LEU A 281
 None
 1.30A 4xldA-3sb4A:
undetectable		 4xldA-3sb4A:
24.15
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.
3scy HYPOTHETICAL
BACTERIAL
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
fragilis) 		PF10282
(Lactonase) 		5 GLY A  42
CYH A 379
HIS A 181
LEU A 128
HIS A 238
 None
None
UNL  A 385 ( 4.0A)
None
None
 1.37A 4xldA-3scyA:
undetectable		 4xldA-3scyA:
22.81
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.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		5 GLY A 332
HIS A  61
LEU A 372
LEU A 287
TYR A 263
 None
 1.08A 4xldA-3sggA:
undetectable		 4xldA-3sggA:
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.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		5 GLY A 388
HIS A  61
LEU A 372
LEU A 287
TYR A 263
 None
 1.37A 4xldA-3sggA:
undetectable		 4xldA-3sggA:
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 480
TYR A 428
LEU A 385
HIS A 430
LEU A 451
 None
 1.23A 4xldA-3u4aA:
undetectable		 4xldA-3u4aA:
17.88
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		5 GLY A 165
HIS A 239
LEU A 204
MET A 222
LEU A 183
 None
 1.36A 4xldA-3vupA:
undetectable		 4xldA-3vupA:
19.78
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 GLY A 633
LEU A 419
PHE A 593
MET A 595
LEU A 524
 None
 1.46A 4xldA-3wkyA:
undetectable		 4xldA-3wkyA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 PHE A 165
GLY A 163
LEU A  17
HIS A 399
LEU A 192
 None
 1.40A 4xldA-3zq4A:
undetectable		 4xldA-3zq4A:
19.71
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		5 PHE A2023
CYH A2020
PHE A2047
MET A2051
LEU A1967
 None
 1.27A 4xldA-4c0dA:
undetectable		 4xldA-4c0dA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gyt UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF03695
(UPF0149) 		5 GLY A  34
CYH A  37
PHE A  89
MET A  82
LEU A 140
 None
 1.45A 4xldA-4gytA:
undetectable		 4xldA-4gytA:
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.
4irt UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF15892
(BNR_4) 		5 CYH A 117
SER A 106
HIS A 109
LEU A  63
LEU A 114
 None
 1.27A 4xldA-4irtA:
undetectable		 4xldA-4irtA:
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 PHE A 476
GLY A 475
PHE A 493
HIS A 793
TYR A 782
 None
 1.35A 4xldA-4lixA:
undetectable		 4xldA-4lixA:
17.43
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.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 PHE A 120
GLY A 122
CYH A 123
LEU A 174
PHE A 166
 None
 1.27A 4xldA-4weoA:
undetectable		 4xldA-4weoA:
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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 5 GLY A 108
CYH A 109
LEU A  74
LEU A 116
TYR A 126
 None
 1.27A 4xldA-4xlyA:
2.1		 4xldA-4xlyA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zpj EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Sphaerobacter
thermophilus) 		PF13458
(Peripla_BP_6) 		5 PHE A 409
GLY A 415
TYR A 365
LEU A 334
PHE A 407
 None
 1.46A 4xldA-4zpjA:
undetectable		 4xldA-4zpjA:
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.
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		5 PHE A2023
CYH A2020
PHE A2047
MET A2051
LEU A1967
 None
 1.19A 4xldA-5fu7A:
undetectable		 4xldA-5fu7A:
20.48
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.
5hdi CYTOCHROME P450 144

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 GLY A 189
LEU A 391
PHE A 151
MET A 148
LEU A 198
 None
HEM  A 501 ( 4.5A)
None
None
None
 1.31A 4xldA-5hdiA:
1.8		 4xldA-5hdiA:
20.78
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 SER A 290
HIS A  99
TYR A  85
LEU A 106
MET A 186
 None
 1.10A 4xldA-5jd4A:
undetectable		 4xldA-5jd4A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5my5 ABC TRANSPORTER
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Desulfovibrio
alaskensis) 		PF12849
(PBP_like_2) 		5 GLY A  17
SER A  12
LEU A  57
PHE A 246
MET A  80
 None
 1.50A 4xldA-5my5A:
undetectable		 4xldA-5my5A:
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.
5nnp PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00583
(Acetyltransf_1) 		5 GLY B  63
TYR B 132
LEU B 131
MET B 101
LEU B  22
 None
 1.34A 4xldA-5nnpB:
undetectable		 4xldA-5nnpB:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vg1 CHITINASE

(Jonesia
denitrificans) 		PF03067
(LPMO_10) 		5 GLY A  33
HIS A 139
TYR A 116
MET A 168
LEU A 137
 None
 1.25A 4xldA-5vg1A:
undetectable		 4xldA-5vg1A:
18.49
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 GLY A 255
CYH A 254
LEU A 187
MET A 225
LEU A 276
 None
 1.07A 4xldA-5xgsA:
undetectable		 4xldA-5xgsA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yo8 TETRAPRENYL-BETA-CUR
CUMENE SYNTHASE

(Bacillus
alcalophilus) 		no annotation 5 GLY A  60
HIS A 299
TYR A 237
LEU A  65
TYR A 219
 None
 1.43A 4xldA-5yo8A:
undetectable		 4xldA-5yo8A:
15.94
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.
6bs7 ADENYLOSUCCINATE
SYNTHETASE

(Legionella
pneumophila) 		no annotation 5 PHE A 158
GLY A 150
HIS A 111
LEU A  75
TYR A 110
 None
 1.25A 4xldA-6bs7A:
undetectable		 4xldA-6bs7A:
13.85
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 5 PHE A  34
GLY A  30
CYH A  29
TYR A  58
LEU A 128
 None
None
None
EWM  A 301 (-4.3A)
None
 1.42A 4xldA-6cc0A:
undetectable		 4xldA-6cc0A:
13.99