SIMILAR PATTERNS OF AMINO ACIDS FOR 3Q95_B_ESLB700_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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 LEU A 435
ALA A 434
LEU A 462
ILE A 451
LEU A 653
 None
 1.07A 3q95B-1dtdA:
undetectable		 3q95B-1dtdA:
21.77
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.
1ef1 MOESIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 LEU A 125
ALA A 129
ILE A 115
GLY A 109
LEU A 111
 None
 0.93A 3q95B-1ef1A:
undetectable		 3q95B-1ef1A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		6 LEU A 278
LEU A 281
ALA A 282
LEU A   2
ILE A  41
GLY A  40
 None
 1.19A 3q95B-1fobA:
undetectable		 3q95B-1fobA:
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.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 MET A 250
LEU A 253
LEU A 256
ALA A 257
LEU A 293
 None
 0.94A 3q95B-1i0aA:
undetectable		 3q95B-1i0aA:
22.82
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.
1ih5 AQUAPORIN-1

(Homo sapiens) 		PF00230
(MIP) 		5 LEU A  19
ALA A  20
LEU A  63
ILE A  70
GLY A  72
 None
 0.98A 3q95B-1ih5A:
undetectable		 3q95B-1ih5A:
22.74
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.
1khy CLPB PROTEIN

(Escherichia
coli) 		PF02861
(Clp_N) 		5 LEU A 110
LEU A 113
ALA A 114
GLU A 117
LEU A  93
 None
 0.88A 3q95B-1khyA:
undetectable		 3q95B-1khyA:
22.26
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.
1n7g GDP-D-MANNOSE-4,6-DE
HYDRATASE

(Arabidopsis
thaliana) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A 354
ALA A 355
GLU A 358
ILE A 229
LEU A 298
 None
 1.02A 3q95B-1n7gA:
undetectable		 3q95B-1n7gA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nkl NK-LYSIN

(Sus scrofa) 		PF05184
(SapB_1) 		5 MET A  49
GLU A  24
LEU A  61
ILE A  69
LEU A  14
 None
 1.02A 3q95B-1nklA:
undetectable		 3q95B-1nklA:
14.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 MET A 343
LEU A 346
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.31A 3q95B-1pcgA:
37.4		 3q95B-1pcgA:
98.36
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.
1rr9 ATP-DEPENDENT
PROTEASE LA

(Escherichia
coli) 		PF05362
(Lon_C) 		5 LEU A 767
ALA A 770
LEU A 735
ILE A 707
GLY A 681
 None
 1.01A 3q95B-1rr9A:
undetectable		 3q95B-1rr9A:
24.79
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) 		5 ALA A 343
LEU A 380
ARG A 387
ILE A 499
GLY A 500
 MEI  A1001 (-3.3A)
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
None
 1.05A 3q95B-1uhlA:
25.2		 3q95B-1uhlA:
31.42
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.
1wue MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A1210
ALA A1211
ARG A1178
ILE A1135
GLY A1134
 None
 1.05A 3q95B-1wueA:
undetectable		 3q95B-1wueA:
21.39
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.
1wzz PROBABLE
ENDOGLUCANASE

(Komagataeibacter
xylinus) 		PF01270
(Glyco_hydro_8) 		5 LEU A 300
ALA A 301
GLU A 304
LEU A 314
ILE A  33
 None
 0.92A 3q95B-1wzzA:
undetectable		 3q95B-1wzzA:
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		5 LEU A 481
LEU A 484
ALA A 485
GLY A 503
LEU A 501
 None
 0.79A 3q95B-1x9sA:
undetectable		 3q95B-1x9sA:
15.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 324
LEU A 327
GLU A 331
LEU A 365
ARG A 372
HIS A 494
 None
 0.55A 3q95B-1xb7A:
28.0		 3q95B-1xb7A:
32.03
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
LEU A 283
ARG A 290
ILE A 402
GLY A 403
 9CR  A 201 (-3.6A)
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
None
None
 0.97A 3q95B-1xiuA:
22.7		 3q95B-1xiuA:
28.41
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) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
None
None
 1.04A 3q95B-1xlsA:
25.4		 3q95B-1xlsA:
30.48
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.
2aj4 GALACTOKINASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 LEU A 405
LEU A 429
ILE A  61
GLY A  58
LEU A  69
 None
 1.09A 3q95B-2aj4A:
undetectable		 3q95B-2aj4A:
17.85
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.
2dby GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 LEU A 137
LEU A 140
ALA A 141
GLU A 144
GLY A  86
 None
 0.79A 3q95B-2dbyA:
undetectable		 3q95B-2dbyA:
21.72
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.
2dh4 YPL069C

(Saccharomyces
cerevisiae) 		PF00348
(polyprenyl_synt) 		5 LEU A 185
ALA A 188
LEU A 128
ILE A  64
LEU A  57
 None
 1.09A 3q95B-2dh4A:
undetectable		 3q95B-2dh4A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 LEU A 106
ALA A 105
ILE A 142
GLY A  42
HIS A  94
 None
 0.98A 3q95B-2e4uA:
undetectable		 3q95B-2e4uA:
18.32
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.
2fe1 CONSERVED
HYPOTHETICAL PROTEIN
PAE0151

(Pyrobaculum
aerophilum) 		PF01850
(PIN) 		5 LEU A  36
LEU A  38
ALA A  39
GLU A  42
LEU A  75
 None
 1.08A 3q95B-2fe1A:
undetectable		 3q95B-2fe1A:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 268
LEU A 271
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 (-4.1A)
OHT  A 500 ( 4.4A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.57A 3q95B-2gpvA:
26.4		 3q95B-2gpvA:
36.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 MET A 343
LEU A 346
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.40A 3q95B-2ocfA:
36.3		 3q95B-2ocfA:
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.
2oi2 MEVALONATE KINASE

(Streptococcus
pneumoniae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 265
LEU A 219
ALA A 251
ILE A 289
LEU A 275
 None
 1.02A 3q95B-2oi2A:
undetectable		 3q95B-2oi2A:
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.
2pce PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 121
LEU A 313
ALA A 309
ILE A 112
GLY A  46
 None
 1.01A 3q95B-2pceA:
undetectable		 3q95B-2pceA:
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.
2qjt NICOTINAMIDE-NUCLEOT
IDE
ADENYLYLTRANSFERASE

(Francisella
tularensis) 		no annotation 5 LEU B 329
GLU B 330
ARG B 282
ILE B 247
GLY B 290
 None
 0.97A 3q95B-2qjtB:
undetectable		 3q95B-2qjtB:
20.26
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.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		5 LEU A 516
ALA A 464
MET A 442
ILE A 519
HIS A 549
 None
 1.09A 3q95B-2qzpA:
undetectable		 3q95B-2qzpA:
19.86
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 MET B 255
LEU B  35
LEU B  33
ALA B 103
GLY B  38
 None
 1.00A 3q95B-2w55B:
undetectable		 3q95B-2w55B:
16.71
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.
2x7x SENSOR PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13407
(Peripla_BP_4) 		5 ALA A 201
GLU A 204
LEU A 160
ILE A 247
GLY A 246
 None
 0.80A 3q95B-2x7xA:
undetectable		 3q95B-2x7xA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y0e UDP-GLUCOSE
DEHYDROGENASE

(Burkholderia
cepacia) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 MET A 228
LEU A 231
LEU A 234
ALA A 235
GLY A 248
 None
 0.73A 3q95B-2y0eA:
undetectable		 3q95B-2y0eA:
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.
2y4l MANNOSYLGLYCERATE
SYNTHASE

(Rhodothermus
marinus) 		no annotation 5 MET A 229
ALA A 236
LEU A 194
GLY A 164
LEU A 163
 MLI  A 402 ( 4.1A)
None
None
None
MLI  A 402 (-4.6A)
 1.06A 3q95B-2y4lA:
undetectable		 3q95B-2y4lA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zkj [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 4

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 GLU A 373
ARG A  64
ILE A 179
GLY A  44
LEU A  41
 None
 1.09A 3q95B-2zkjA:
undetectable		 3q95B-2zkjA:
19.64
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.
3anp TRANSCRIPTIONAL
REPRESSOR, TETR
FAMILY

(Thermus
thermophilus) 		no annotation 5 LEU C 139
ARG C 196
ILE C 132
GLY C 155
LEU C 151
 None
 1.09A 3q95B-3anpC:
undetectable		 3q95B-3anpC:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bhq TRANSCRIPTIONAL
REGULATOR

(Mesorhizobium
japonicum) 		PF00440
(TetR_N)
PF14246
(TetR_C_7) 		5 LEU A  91
LEU A  94
ALA A  95
LEU A 169
MET A 168
 None
 0.92A 3q95B-3bhqA:
undetectable		 3q95B-3bhqA:
20.50
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A7223 (-4.2A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
None
None
 1.01A 3q95B-3dzuA:
25.0		 3q95B-3dzuA:
20.40
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 MET A 231
LEU A 234
LEU A 237
ALA A 238
LEU A 170
 None
None
None
None
MYR  A 315 ( 4.7A)
 1.09A 3q95B-3ee4A:
3.1		 3q95B-3ee4A:
23.00
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.
3eno PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00814
(Peptidase_M22) 		5 LEU A 295
LEU A 296
ALA A 293
GLU A 113
GLY A  16
 None
 0.98A 3q95B-3enoA:
undetectable		 3q95B-3enoA:
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.
3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF00480
(ROK) 		5 LEU A 625
ALA A 624
LEU A 671
ILE A 678
GLY A 646
 None
 1.06A 3q95B-3eo3A:
undetectable		 3q95B-3eo3A:
23.53
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.
3f7c PROTEIN OF UNKNOWN
FUNCTION (DUF416)

(Marinobacter
hydrocarbonoclasticus) 		PF04222
(DUF416) 		5 LEU A  22
LEU A  23
ALA A  20
HIS A 113
LEU A  13
 None
 1.06A 3q95B-3f7cA:
undetectable		 3q95B-3f7cA:
20.80
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.
3gkb PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		5 LEU A 138
LEU A 175
GLU A 269
GLY A 153
LEU A 157
 None
 1.04A 3q95B-3gkbA:
undetectable		 3q95B-3gkbA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ilv GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Cytophaga
hutchinsonii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLU A  53
ARG A 603
ILE A 229
GLY A 222
LEU A 220
 None
 1.07A 3q95B-3ilvA:
undetectable		 3q95B-3ilvA:
17.40
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.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		5 LEU P 334
ALA P 335
LEU P 224
ILE P 213
GLY P 212
 None
 0.92A 3q95B-3izyP:
undetectable		 3q95B-3izyP:
18.92
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.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 ALA H 125
LEU H 100
ILE H  76
GLY H 103
HIS H 109
 None
 1.03A 3q95B-3jtlH:
undetectable		 3q95B-3jtlH:
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 LEU A 133
ALA A 136
LEU A 156
ILE A  95
LEU A 103
 None
 1.05A 3q95B-3kn1A:
undetectable		 3q95B-3kn1A:
23.53
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.
3pdk PHOSPHOGLUCOSAMINE
MUTASE

(Bacillus
anthracis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 348
ALA A 345
LEU A 246
ILE A 331
GLY A 339
 None
None
None
None
PO4  A 450 (-4.3A)
 1.04A 3q95B-3pdkA:
undetectable		 3q95B-3pdkA:
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.
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A  81
ALA A  80
ILE A 117
GLY A  17
HIS A  69
 None
 0.99A 3q95B-3sm9A:
undetectable		 3q95B-3sm9A:
19.04
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.
3u07 UNCHARACTERIZED
PROTEIN VPA0106

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		5 MET A 267
LEU A 270
LEU A 273
ALA A 274
LEU A 304
 None
 0.72A 3q95B-3u07A:
undetectable		 3q95B-3u07A:
19.95
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		5 LEU A 300
LEU A 303
ALA A 304
LEU A 320
GLY A  73
 None
 0.83A 3q95B-3uboA:
undetectable		 3q95B-3uboA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwp (S)-HYDROXYNITRILE
LYASE

(Baliospermum
montanum) 		PF00561
(Abhydrolase_1) 		5 LEU A  76
LEU A 100
ALA A  99
ILE A  68
HIS A   5
 None
 0.99A 3q95B-3wwpA:
undetectable		 3q95B-3wwpA:
22.26
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.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A

(Aspergillus
nidulans) 		PF07745
(Glyco_hydro_53) 		5 LEU A 278
LEU A 281
ALA A 282
LEU A   2
GLY A  40
 None
None
ZN  A 413 ( 4.7A)
None
None
 0.87A 3q95B-4bf7A:
undetectable		 3q95B-4bf7A:
22.87
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.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A

(Aspergillus
nidulans) 		PF07745
(Glyco_hydro_53) 		5 LEU A 278
LEU A 281
ALA A 282
LEU A   2
GLY A 331
 None
None
ZN  A 413 ( 4.7A)
None
None
 0.77A 3q95B-4bf7A:
undetectable		 3q95B-4bf7A:
22.87
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 LEU A 298
LEU A 301
ALA A 302
LEU A 318
GLY A  71
 None
 0.80A 3q95B-4e3aA:
undetectable		 3q95B-4e3aA:
22.34
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.
4g3m RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Bacillus
subtilis) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 LEU A  71
ALA A 130
GLU A 131
ARG A 142
ILE A 111
 None
 1.06A 3q95B-4g3mA:
undetectable		 3q95B-4g3mA:
21.00
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 311
ALA A 308
LEU A 341
ILE A 330
GLY A 334
 None
 1.05A 3q95B-4ihcA:
undetectable		 3q95B-4ihcA:
19.82
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 LEU A 187
LEU A 217
ALA A 216
LEU A 168
GLY A 171
 None
 0.98A 3q95B-4issA:
undetectable		 3q95B-4issA:
18.22
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
LEU D 309
ARG D 316
ILE D 345
LEU D 436
 None
 0.95A 3q95B-4j5xD:
23.9		 3q95B-4j5xD:
28.91
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
LEU D 309
ARG D 316
ILE D 428
GLY D 429
 None
 0.98A 3q95B-4j5xD:
23.9		 3q95B-4j5xD:
28.91
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.
4k2b NTD BIOSYNTHESIS
OPERON PROTEIN NTDA

(Bacillus
subtilis) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 159
ALA A 160
ILE A 220
GLY A 132
LEU A 134
 None
 0.97A 3q95B-4k2bA:
undetectable		 3q95B-4k2bA:
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.
4lds BICYCLOMYCIN
RESISTANCE PROTEIN
TCAB

(Staphylococcus
epidermidis) 		PF00083
(Sugar_tr) 		5 LEU A 356
LEU A 360
LEU A 380
ILE A 253
GLY A 254
 None
 1.02A 3q95B-4ldsA:
undetectable		 3q95B-4ldsA:
21.83
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.
4lu1 MAF-LIKE PROTEIN
YCEF

(Escherichia
coli) 		PF02545
(Maf) 		5 LEU A 108
ALA A  53
GLY A 114
HIS A 115
LEU A 116
 None
 0.97A 3q95B-4lu1A:
undetectable		 3q95B-4lu1A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mjz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Toxoplasma
gondii) 		PF00215
(OMPdecase) 		5 LEU A  40
LEU A 266
ILE A 254
GLY A 273
LEU A 274
 None
 1.07A 3q95B-4mjzA:
undetectable		 3q95B-4mjzA:
19.09
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 LEU A 182
ALA A 243
ARG A 261
ILE A 390
GLY A 173
 EDO  A 602 ( 4.8A)
None
None
None
None
 1.06A 3q95B-4n03A:
undetectable		 3q95B-4n03A:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		8 LEU A 283
LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
ILE A 361
GLY A 447
 None
 0.65A 3q95B-4n1yA:
30.7		 3q95B-4n1yA:
38.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 286
ALA A 287
GLU A 290
ARG A 331
ILE A 361
GLY A 444
 None
 1.46A 3q95B-4n1yA:
30.7		 3q95B-4n1yA:
38.58
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 LEU B 631
LEU B 643
GLY B 653
HIS B 654
LEU B 651
 None
None
None
CLA  B9022 ( 4.0A)
CLA  B9022 (-3.5A)
 1.07A 3q95B-4rkuB:
undetectable		 3q95B-4rkuB:
17.45
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.
4rm9 EZRIN

(Homo sapiens) 		PF00373
(FERM_M)
PF00769
(ERM)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 LEU A 125
ALA A 129
ILE A 115
GLY A 109
LEU A 111
 None
 0.87A 3q95B-4rm9A:
3.3		 3q95B-4rm9A:
16.41
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.
4s15 NUCLEAR RECEPTOR
ROR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 MET A 270
LEU A 273
LEU A 276
ALA A 277
LEU A 422
 None
 0.60A 3q95B-4s15A:
22.3		 3q95B-4s15A:
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 LEU A 406
ALA A 407
GLU A 410
HIS A 449
LEU A 447
 None
 1.08A 3q95B-4u98A:
undetectable		 3q95B-4u98A:
19.22
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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 769
LEU A 772
ALA A 773
LEU A 810
ARG A 817
 CV7  A1987 (-4.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.7A)
 0.33A 3q95B-4udbA:
27.0		 3q95B-4udbA:
27.40
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.
4y0a SHIKIMATE KINASE

(Acinetobacter
baumannii) 		PF01202
(SKI) 		5 LEU A  23
LEU A  90
ILE A 113
GLY A 112
LEU A 108
 None
 0.99A 3q95B-4y0aA:
undetectable		 3q95B-4y0aA:
24.79
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.
4yub NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		no annotation 5 LEU A  56
LEU A 114
ALA A 115
LEU A 109
GLY A  59
 None
 1.02A 3q95B-4yubA:
undetectable		 3q95B-4yubA:
19.89
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 MET A 416
LEU A 490
LEU A 489
MET A 514
GLY A 344
 None
 0.97A 3q95B-5bs5A:
undetectable		 3q95B-5bs5A:
20.81
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A  99
ALA A  98
ILE A 136
GLY A  35
HIS A  87
 None
 1.00A 3q95B-5cniA:
undetectable		 3q95B-5cniA:
18.55
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1

(Pseudomonas
stutzeri) 		PF00115
(COX1)
PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N) 		5 MET A 275
LEU A 280
ALA A 281
ILE C  70
LEU C  20
 None
 1.01A 3q95B-5djqA:
undetectable		 3q95B-5djqA:
18.63
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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		5 LEU A  56
LEU A  59
ALA A  60
LEU A 277
ILE A 143
 None
 1.08A 3q95B-5dpdA:
undetectable		 3q95B-5dpdA:
18.12
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		5 MET A 177
ALA A  82
ILE A 153
GLY A 265
HIS A 266
 None
None
None
HEM  A 501 (-3.2A)
None
 0.96A 3q95B-5e78A:
undetectable		 3q95B-5e78A:
20.43
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.
5eow 6-HYDROXYNICOTINATE
3-MONOOXYGENASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 LEU A 317
ALA A 315
LEU A  22
ILE A   9
GLY A  16
 None
 1.06A 3q95B-5eowA:
undetectable		 3q95B-5eowA:
21.39
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.
5et1 ESPIN

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 LEU A  89
LEU A  90
LEU A  83
GLY A  47
LEU A  49
 None
 1.08A 3q95B-5et1A:
undetectable		 3q95B-5et1A:
21.93
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.
5gk9 BRD1 PROTEIN
HISTONE
ACETYLTRANSFERASE
KAT7

(Homo sapiens) 		PF01853
(MOZ_SAS)
no annotation 		5 MET A 564
LEU A 575
LEU A 573
GLU B  58
LEU A 531
 None
 1.06A 3q95B-5gk9A:
undetectable		 3q95B-5gk9A:
20.72
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 LEU b 440
LEU b 437
ALA b 436
LEU b 102
GLY b  30
 None
 1.09A 3q95B-5gw5b:
undetectable		 3q95B-5gw5b:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		5 ALA A 283
ARG A 289
ILE A   8
GLY A  15
LEU A  14
 None
 1.09A 3q95B-5gz1A:
undetectable		 3q95B-5gz1A:
20.06
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		5 LEU A 323
ALA A 320
LEU A 266
GLY A 271
HIS A 313
 None
 1.05A 3q95B-5hh9A:
undetectable		 3q95B-5hh9A:
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 187
LEU A 217
ALA A 216
LEU A 168
GLY A 171
 None
 1.00A 3q95B-5i8iA:
undetectable		 3q95B-5i8iA:
9.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 LEU A 757
LEU A 754
ALA A 753
LEU A 697
HIS A 708
 None
 1.01A 3q95B-5j6sA:
undetectable		 3q95B-5j6sA:
16.17
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.
5jd3 LAE5

(uncultured
bacterium) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 158
MET A 159
ARG A 165
ILE A  90
GLY A  91
 None
 1.06A 3q95B-5jd3A:
undetectable		 3q95B-5jd3A:
21.95
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 LEU A 130
LEU A 128
LEU A 165
GLY A 243
LEU A 240
 None
 0.92A 3q95B-5kdxA:
undetectable		 3q95B-5kdxA:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 LEU A  99
ALA A  98
ILE A 136
GLY A  35
HIS A  87
 None
 0.89A 3q95B-5kznA:
undetectable		 3q95B-5kznA:
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.
5mlv -

(-) 		no annotation 5 MET G 202
LEU G 219
ALA G 223
LEU G 177
MET G 176
 None
 0.93A 3q95B-5mlvG:
undetectable		 3q95B-5mlvG:
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 5 LEU b 628
LEU b 640
GLY b 650
HIS b 651
LEU b 648
 None
None
None
CLA  b1806 ( 4.0A)
None
 0.99A 3q95B-5oy0b:
undetectable		 3q95B-5oy0b:
14.23
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.
5tcb PELA

(Pseudomonas
aeruginosa) 		PF03537
(Glyco_hydro_114) 		5 LEU A 142
LEU A 143
ALA A 140
GLY A 117
LEU A 114
 None
 0.89A 3q95B-5tcbA:
undetectable		 3q95B-5tcbA:
20.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 MET A 295
LEU A 298
LEU A 301
ALA A 302
GLU A 305
LEU A 339
MET A 340
ARG A 346
ILE A 376
GLY A 472
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.38A 3q95B-5toaA:
30.7		 3q95B-5toaA:
56.32
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.
5u4n FRUCTOSE-1

(Neisseria
gonorrhoeae) 		PF01116
(F_bP_aldolase) 		5 ALA A 193
GLU A 142
LEU A 146
GLY A 152
LEU A 149
 None
 1.04A 3q95B-5u4nA:
undetectable		 3q95B-5u4nA:
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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A 503 (-3.5A)
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
None
None
 1.09A 3q95B-5uanA:
24.9		 3q95B-5uanA:
24.74
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.
5ucm PROLINE--TRNA LIGASE

(Pseudomonas
aeruginosa) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		5 LEU A   7
LEU A   8
ILE A 527
GLY A 526
LEU A 524
 None
 1.02A 3q95B-5ucmA:
undetectable		 3q95B-5ucmA:
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.
5x8g 2-SUCCINYLBENZOATE--
COA LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 449
ALA A 450
GLU A  91
ILE A 388
GLY A 391
 None
None
None
None
S0N  A 501 (-4.0A)
 1.05A 3q95B-5x8gA:
undetectable		 3q95B-5x8gA:
19.40
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.
5xmj FUMARATE REDUCTASE
RESPIRATORY COMPLEX

(Desulfovibrio
gigas) 		no annotation 5 LEU C 165
LEU C 162
ALA C 163
ILE C 198
GLY C 199
 None
None
HEM  C 301 ( 4.0A)
None
None
 1.08A 3q95B-5xmjC:
undetectable		 3q95B-5xmjC:
15.65
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 5 LEU A 322
LEU A 342
ALA A 338
ARG A 272
ILE A 227
 None
 1.03A 3q95B-5yvsA:
undetectable		 3q95B-5yvsA:
15.29
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.
6ez8 FACTOR VIII INTRON
22 PROTEIN
HUNTINGTIN

(Homo sapiens) 		no annotation 5 LEU B  98
ALA B  94
LEU B 125
HIS A2771
LEU B  71
 None
 1.09A 3q95B-6ez8B:
undetectable		 3q95B-6ez8B:
15.06
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.
6f5d ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 5 LEU D 277
LEU D 276
ILE D  55
GLY D  64
LEU D  59
 None
 0.86A 3q95B-6f5dD:
undetectable		 3q95B-6f5dD:
15.19