SIMILAR PATTERNS OF AMINO ACIDS FOR 1G50_A_ESTA600

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.
1d1z SAP SH2 DOMAIN

(Homo sapiens) 		PF00017
(SH2) 		5 LEU A1020
LEU A1021
ALA A1022
ILE A1011
HIS A1008
 None
 1.18A 1g50A-1d1zA:
undetectable		 1g50A-1d1zA:
18.03
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.
1eys PHOTOSYNTHETIC
REACTION CENTER

(Thermochromatium
tepidum) 		PF00124
(Photo_RC) 		5 LEU L 246
ALA L 245
ILE L 237
HIS L 198
LEU L 195
 None
BPH  L 606 ( 4.9A)
None
None
None
 1.26A 1g50A-1eysL:
undetectable		 1g50A-1eysL:
20.54
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 LEU A 278
LEU A 281
ALA A 282
LEU A   2
ILE A  41
 None
 0.99A 1g50A-1fobA:
undetectable		 1g50A-1fobA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		5 ALA A 212
GLU A 191
LEU A 298
ARG A 186
LEU A 223
 None
 1.15A 1g50A-1g0vA:
undetectable		 1g50A-1g0vA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g3n V-CYCLIN

(Human
gammaherpesvirus
8) 		PF00134
(Cyclin_N)
PF09080
(K-cyclin_vir_C) 		5 LEU C  79
LEU C  76
ALA C  75
LEU C 101
LEU C 138
 None
 1.23A 1g50A-1g3nC:
undetectable		 1g50A-1g3nC:
25.54
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.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A  49
ALA A  46
LEU A  60
ILE A 100
LEU A  67
 None
 1.12A 1g50A-1i0aA:
undetectable		 1g50A-1i0aA:
21.29
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.
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
 0.94A 1g50A-1khyA:
undetectable		 1g50A-1khyA:
24.89
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) 		11 LEU A 346
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
MET A 421
ILE A 424
HIS A 524
LEU A 525
 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 ( 4.3A)
EST  A   1 ( 4.5A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.36A 1g50A-1pcgA:
37.3		 1g50A-1pcgA:
98.77
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.
1pxt PEROXISOMAL
3-KETOACYL-COA
THIOLASE

(Saccharomyces
cerevisiae) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU A 129
ALA A 131
LEU A 121
MET A 402
ILE A 404
 None
 1.22A 1g50A-1pxtA:
undetectable		 1g50A-1pxtA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wpn MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH) 		5 ALA A  64
GLU A  67
LEU A   5
ARG A  59
HIS A  76
 None
 1.17A 1g50A-1wpnA:
undetectable		 1g50A-1wpnA:
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.
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 1g50A-1wzzA:
undetectable		 1g50A-1wzzA:
21.64
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
 0.76A 1g50A-1xb7A:
27.9		 1g50A-1xb7A:
33.20
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.
2c1d SOXX

(Paracoccus
pantotrophus) 		PF00034
(Cytochrom_C) 		5 LEU B 152
GLU B  92
ARG B  96
MET B  53
ILE B  52
 HEC  B1158 ( 4.9A)
None
None
None
None
 1.27A 1g50A-2c1dB:
undetectable		 1g50A-2c1dB:
21.49
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.
2dh4 YPL069C

(Saccharomyces
cerevisiae) 		PF00348
(polyprenyl_synt) 		5 LEU A 185
ALA A 188
LEU A 128
ILE A  64
LEU A  57
 None
 1.15A 1g50A-2dh4A:
undetectable		 1g50A-2dh4A:
21.65
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) 		6 LEU A 268
LEU A 271
ALA A 272
GLU A 275
LEU A 309
ARG A 316
 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)
 0.54A 1g50A-2gpvA:
26.8		 1g50A-2gpvA:
36.76
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) 		6 LEU A 271
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 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)
 0.70A 1g50A-2gpvA:
26.8		 1g50A-2gpvA:
36.76
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.
2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 ALA A  64
GLU A  67
LEU A   5
ARG A  59
HIS A  76
 None
 1.18A 1g50A-2hawA:
undetectable		 1g50A-2hawA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ido DNA POLYMERASE III
EPSILON SUBUNIT

(Escherichia
coli) 		PF00929
(RNase_T) 		5 LEU A 166
LEU A 165
ALA A 168
ILE A 154
LEU A 145
 None
 1.28A 1g50A-2idoA:
undetectable		 1g50A-2idoA:
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.
2l6p PHAC1, PHAC2 AND
PHAD GENES

(Pseudomonas
aeruginosa) 		PF06155
(DUF971) 		5 LEU A  88
LEU A  91
ALA A  92
LEU A  28
ILE A   8
 None
 1.22A 1g50A-2l6pA:
undetectable		 1g50A-2l6pA:
21.16
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		5 LEU A 295
LEU A 298
ALA A 299
LEU A 552
LEU A 579
 None
 1.07A 1g50A-2o36A:
undetectable		 1g50A-2o36A:
17.52
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) 		11 LEU A 346
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
MET A 421
ILE A 424
HIS A 524
LEU A 525
 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 (-4.5A)
EST  A 596 ( 4.7A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.53A 1g50A-2ocfA:
36.1		 1g50A-2ocfA:
99.60
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.
2ook HYPOTHETICAL PROTEIN

(Shewanella
frigidimarina) 		PF11964
(SpoIIAA-like) 		5 LEU A 124
LEU A 121
ALA A 120
GLU A 117
LEU A  90
 None
 1.22A 1g50A-2ookA:
undetectable		 1g50A-2ookA:
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.
2pyj DNA POLYMERASE

(Bacillus virus
phi29) 		PF03175
(DNA_pol_B_2) 		5 LEU A 185
ALA A 190
LEU A 384
ILE A 378
LEU A 126
 EDO  A2793 ( 4.8A)
None
None
None
None
 1.17A 1g50A-2pyjA:
undetectable		 1g50A-2pyjA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  32
LEU A  35
ALA A  36
ARG A  80
MET A 108
 1CA  A 247 (-4.0A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
 0.62A 1g50A-2q3yA:
28.1		 1g50A-2q3yA:
27.68
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.
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
 1.14A 1g50A-2qzpA:
undetectable		 1g50A-2qzpA:
18.96
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.
2x17 PUTATIVE FERRITIN
HOMOLOG

(Pyrococcus
furiosus) 		PF00210
(Ferritin) 		5 LEU 0 104
LEU 0 107
ALA 0 108
GLU 0 111
ILE 0  61
 None
 1.26A 1g50A-2x170:
undetectable		 1g50A-2x170:
24.50
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.
3bg2 DGTP
TRIPHOSPHOHYDROLASE

(Leeuwenhoekiella
blandensis) 		PF01966
(HD) 		5 LEU A  87
LEU A  94
GLU A   5
MET A   2
ILE A 329
 None
 1.28A 1g50A-3bg2A:
undetectable		 1g50A-3bg2A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 1g50A-3bhqA:
undetectable		 1g50A-3bhqA:
22.35
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.
3c3w TWO COMPONENT
TRANSCRIPTIONAL
REGULATORY PROTEIN
DEVR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 LEU A  79
ALA A  51
LEU A  76
ILE A 106
LEU A  65
 None
 1.23A 1g50A-3c3wA:
undetectable		 1g50A-3c3wA:
24.71
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.
3c4f BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 689
LEU A 690
LEU A 750
ILE A 639
HIS A 621
 None
 1.16A 1g50A-3c4fA:
undetectable		 1g50A-3c4fA:
22.76
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.
3d1l PUTATIVE NADP
OXIDOREDUCTASE
BF3122

(Bacteroides
fragilis) 		PF03807
(F420_oxidored)
PF10728
(DUF2520) 		5 ALA A 140
GLU A 139
ARG A 168
ILE A  70
LEU A  94
 None
 1.22A 1g50A-3d1lA:
undetectable		 1g50A-3d1lA:
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.
3f5x CYCLIN-A2

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		5 LEU B 262
LEU B 263
ALA B 264
ILE B 281
LEU B 227
 None
 1.28A 1g50A-3f5xB:
undetectable		 1g50A-3f5xB:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 1g50A-3f7cA:
undetectable		 1g50A-3f7cA:
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.
3fnr ARGINYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00750
(tRNA-synt_1d)
PF05746
(DALR_1) 		5 LEU A 477
LEU A 480
ALA A 481
MET A 520
ILE A 522
 None
 1.11A 1g50A-3fnrA:
undetectable		 1g50A-3fnrA:
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.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 LEU A  75
ALA A  97
GLU A  96
MET A 125
ILE A 101
 None
 1.01A 1g50A-3higA:
undetectable		 1g50A-3higA:
15.60
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.
3i6e MUCONATE
CYCLOISOMERASE I

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 114
LEU A 117
ALA A 118
LEU A   6
MET A  93
 None
 1.11A 1g50A-3i6eA:
undetectable		 1g50A-3i6eA:
21.74
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 LEU W  93
ALA W  92
LEU W  34
ILE W 131
LEU W 126
 None
 1.24A 1g50A-3iylW:
undetectable		 1g50A-3iylW:
11.12
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.
3jys SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 LEU A 263
ALA A 264
GLU A 284
LEU A 270
ILE A 359
 None
 1.28A 1g50A-3jysA:
undetectable		 1g50A-3jysA:
18.76
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		6 LEU A 133
ALA A 136
GLU A 135
LEU A 170
ARG A 176
LEU A  94
 None
 1.30A 1g50A-3kn1A:
undetectable		 1g50A-3kn1A:
23.15
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.
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
 1.13A 1g50A-3kn1A:
undetectable		 1g50A-3kn1A:
23.15
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.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 LEU A 268
ALA A 218
LEU A 260
ILE A  16
LEU A  19
 NAD  A 327 ( 4.4A)
NAD  A 327 (-4.9A)
None
None
None
 1.21A 1g50A-3ln3A:
undetectable		 1g50A-3ln3A:
23.62
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.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 LEU A 193
ALA A 196
GLU A 192
ILE A 146
LEU A 174
 None
 1.21A 1g50A-3mc1A:
undetectable		 1g50A-3mc1A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2b DIAMINOPIMELATE
DECARBOXYLASE

(Vibrio cholerae) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 257
LEU A 241
ILE A  56
HIS A  54
LEU A 272
 None
 1.24A 1g50A-3n2bA:
undetectable		 1g50A-3n2bA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n8u IMELYSIN PEPTIDASE

(Bacteroides
ovatus) 		PF09375
(Peptidase_M75) 		5 LEU A  57
LEU A  58
ALA A  55
LEU A 370
ILE A 338
 None
 1.29A 1g50A-3n8uA:
undetectable		 1g50A-3n8uA:
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.
3n9o PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF02373
(JmjC) 		6 LEU A 425
LEU A 484
ALA A 485
LEU A 576
MET A 382
ILE A 381
 None
 1.44A 1g50A-3n9oA:
undetectable		 1g50A-3n9oA:
17.26
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 ALA A 251
GLU A 250
LEU A 186
ILE A 238
LEU A 271
 None
 1.14A 1g50A-3nzpA:
undetectable		 1g50A-3nzpA:
18.34
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 LEU B 375
ALA B 378
LEU B 408
HIS B 575
LEU B 539
 None
 1.09A 1g50A-3p8cB:
undetectable		 1g50A-3p8cB:
12.89
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.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 316
GLU A 174
LEU A 275
ILE A 321
LEU A 267
 None
 1.30A 1g50A-3qfvA:
undetectable		 1g50A-3qfvA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT

(Bacillus cereus) 		PF02378
(PTS_EIIC) 		5 LEU A 419
LEU A 416
MET A 340
ILE A 342
LEU A 347
 None
 1.22A 1g50A-3qnqA:
undetectable		 1g50A-3qnqA:
18.96
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.
3qwb PROBABLE QUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 237
LEU A 234
ALA A 235
ILE A 177
LEU A 210
 None
 1.29A 1g50A-3qwbA:
undetectable		 1g50A-3qwbA:
20.00
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.
3sqn CONSERVED DOMAIN
PROTEIN

(Enterococcus
faecalis) 		PF05043
(Mga) 		5 LEU A 315
LEU A 318
LEU A 289
HIS A 283
LEU A 282
 None
 1.28A 1g50A-3sqnA:
undetectable		 1g50A-3sqnA:
19.34
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 LEU A 792
LEU A 791
ALA A 305
ILE A  71
LEU A  65
 None
 1.25A 1g50A-3tlmA:
undetectable		 1g50A-3tlmA:
13.39
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.
3tt0 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 689
LEU A 690
LEU A 750
ILE A 639
HIS A 621
 None
 1.23A 1g50A-3tt0A:
undetectable		 1g50A-3tt0A:
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.
3uar GLUTATHIONE
S-TRANSFERASE

(Methylococcus
capsulatus) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 LEU A  70
LEU A  73
ALA A  74
LEU A  82
LEU A  94
 None
 1.25A 1g50A-3uarA:
undetectable		 1g50A-3uarA:
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 LEU A  21
ALA A  19
GLU A  11
LEU A  76
ARG A   9
 None
 1.23A 1g50A-3ugkA:
undetectable		 1g50A-3ugkA:
19.68
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 222
ALA A 113
GLU A 116
ARG A 234
LEU A 187
 LEU  A 222 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 116 ( 0.5A)
ARG  A 234 ( 0.6A)
LEU  A 187 ( 0.5A)
 1.21A 1g50A-3wd7A:
undetectable		 1g50A-3wd7A:
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.
4bpx DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT,
DNA PRIMASE LARGE
SUBUNIT

(Homo sapiens) 		PF04104
(DNA_primase_lrg) 		5 LEU B 106
LEU B 108
LEU B 246
ILE B  47
LEU B 253
 None
 1.21A 1g50A-4bpxB:
undetectable		 1g50A-4bpxB:
23.16
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.
4fhn NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		5 LEU B 867
LEU B 895
ILE B 885
HIS B 901
LEU B 902
 None
 1.16A 1g50A-4fhnB:
undetectable		 1g50A-4fhnB:
11.64
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.
4g3f NF-KAPPA-BETA-INDUCI
NG KINASE

(Mus musculus) 		PF00069
(Pkinase) 		5 LEU A 498
LEU A 495
ALA A 494
GLU A 491
LEU A 592
 None
 1.29A 1g50A-4g3fA:
undetectable		 1g50A-4g3fA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3f NF-KAPPA-BETA-INDUCI
NG KINASE

(Mus musculus) 		PF00069
(Pkinase) 		5 LEU A 498
LEU A 495
ALA A 494
LEU A 592
LEU A 479
 None
 1.29A 1g50A-4g3fA:
undetectable		 1g50A-4g3fA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 1g50A-4g3mA:
undetectable		 1g50A-4g3mA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 LEU A 540
ALA A 542
LEU A 453
ILE A 484
LEU A 534
 None
 1.15A 1g50A-4hhrA:
undetectable		 1g50A-4hhrA:
17.58
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.
4id9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 LEU A 237
LEU A 238
ALA A 239
LEU A 157
LEU A  62
 None
 1.16A 1g50A-4id9A:
undetectable		 1g50A-4id9A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4idt MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 14

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 496
LEU A 493
ALA A 492
GLU A 489
LEU A 590
 None
 1.26A 1g50A-4idtA:
undetectable		 1g50A-4idtA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lqk PROTEIN A46

(Vaccinia virus) 		no annotation 5 LEU C 116
LEU C 119
ALA C 120
ILE C  99
LEU C 167
 None
 1.14A 1g50A-4lqkC:
undetectable		 1g50A-4lqkC:
23.17
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.
4mbg CAAX
FARNESYLTRANSFERASE
BETA SUBUNIT RAM1

(Aspergillus
fumigatus) 		PF00432
(Prenyltrans) 		5 LEU B 441
LEU B 438
ALA B 437
ILE B 121
LEU B 406
 None
 1.18A 1g50A-4mbgB:
undetectable		 1g50A-4mbgB:
18.55
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
MET A 358
ILE A 361
 None
 0.69A 1g50A-4n1yA:
31.0		 1g50A-4n1yA:
39.13
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.
4pfr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		5 LEU A 138
ALA A 260
GLU A 259
LEU A  48
ILE A  26
 None
 1.27A 1g50A-4pfrA:
undetectable		 1g50A-4pfrA:
21.92
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A 874
GLU A 559
LEU A 561
ILE A 882
LEU A 955
 None
 1.25A 1g50A-4ptfA:
undetectable		 1g50A-4ptfA:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		5 LEU A 229
ALA A 206
GLU A 208
ILE A 234
LEU A 191
 None
 1.23A 1g50A-4r10A:
undetectable		 1g50A-4r10A:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rm7 ACYL-COA
DEHYDROGENASE

(Slackia
heliotrinireducens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  91
LEU A  94
GLU A  98
ARG A 110
LEU A  67
 None
 1.01A 1g50A-4rm7A:
3.0		 1g50A-4rm7A:
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.
4rqm PROTEIN BICAUDAL C
HOMOLOG 1

(Homo sapiens) 		PF00536
(SAM_1) 		5 LEU A 927
LEU A 928
ALA A 929
LEU A 885
ILE A 917
 None
 1.13A 1g50A-4rqmA:
undetectable		 1g50A-4rqmA:
17.84
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.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 5 LEU A 579
LEU A 581
ALA A 612
LEU A 625
MET A 597
 None
 1.05A 1g50A-4ru5A:
undetectable		 1g50A-4ru5A:
17.42
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.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		5 LEU B 270
LEU B 267
ALA B 266
LEU B 441
LEU B 455
 None
 1.21A 1g50A-4tx2B:
undetectable		 1g50A-4tx2B:
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 LEU A 406
ALA A 407
GLU A 410
HIS A 449
LEU A 447
 None
 1.13A 1g50A-4u98A:
undetectable		 1g50A-4u98A:
19.65
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.
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)
 0.45A 1g50A-4udbA:
27.1		 1g50A-4udbA:
28.25
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU A 171
ALA A 170
LEU A 228
ILE A 204
LEU A 191
 None
 1.10A 1g50A-4zohA:
undetectable		 1g50A-4zohA:
15.21
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.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 172
MET A 220
MET A 264
ILE A 267
HIS A 105
 None
 1.27A 1g50A-4zyjA:
undetectable		 1g50A-4zyjA:
20.00
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF12862
(ANAPC5) 		5 LEU O 473
LEU O 470
ALA O 469
LEU O 445
MET O 444
 None
 1.25A 1g50A-5a31O:
undetectable		 1g50A-5a31O:
15.92
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 326
LEU A 323
GLU A 319
LEU A 246
LEU A 266
 None
 1.28A 1g50A-5cioA:
undetectable		 1g50A-5cioA:
14.21
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.
5d2e MLNE

(Bacillus
velezensis) 		PF08659
(KR) 		5 LEU A 475
ALA A 477
LEU A 481
ILE A 447
LEU A 285
 None
None
None
None
NAP  A 601 (-4.1A)
 1.15A 1g50A-5d2eA:
undetectable		 1g50A-5d2eA:
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.
5d8g TRYPTOPHANASE

(Escherichia
coli) 		PF01212
(Beta_elim_lyase) 		5 LEU A 210
LEU A 207
ALA A 208
GLU A 242
LEU A 173
 None
 1.27A 1g50A-5d8gA:
undetectable		 1g50A-5d8gA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e59 FRNE PROTEIN

(Deinococcus
radiodurans) 		PF01323
(DSBA) 		5 LEU A 133
ALA A 135
LEU A 152
ILE A 116
HIS A 113
 None
 1.15A 1g50A-5e59A:
undetectable		 1g50A-5e59A:
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.
5ftx SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 5 LEU A 786
LEU A 787
ALA A 784
ILE A 831
LEU A 774
 None
 1.03A 1g50A-5ftxA:
undetectable		 1g50A-5ftxA:
15.96
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 LEU B1305
LEU B1306
ALA B1303
LEU B1151
ILE B1258
 None
None
None
None
OS  B1803 (-4.1A)
 1.28A 1g50A-5hb4B:
undetectable		 1g50A-5hb4B:
10.46
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.
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
 1.06A 1g50A-5j6sA:
undetectable		 1g50A-5j6sA:
14.83
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
3
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus) 		PF00420
(Oxidored_q2)
PF00499
(Oxidored_q3)
PF00507
(Oxidored_q4) 		5 ALA K  68
GLU K  34
LEU A  63
ILE A  69
LEU J 161
 None
 1.24A 1g50A-5lc5K:
undetectable		 1g50A-5lc5K:
25.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m32 PROTEASOME SUBUNIT
BETA TYPE-2

(Homo sapiens) 		PF00227
(Proteasome) 		5 LEU J 104
LEU J 102
MET J  35
ILE J 183
LEU J 115
 None
 1.24A 1g50A-5m32J:
undetectable		 1g50A-5m32J:
21.65
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 769
LEU A 772
ALA A 773
ARG A 817
MET A 845
 ECV  A1101 (-4.7A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
 0.55A 1g50A-5mwpA:
27.3		 1g50A-5mwpA:
16.23
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.
5nkm PROTEIN SMG-8
PROTEIN SMG-9

(Caenorhabditis
elegans) 		PF10220
(Smg8_Smg9)
no annotation 		5 ALA D 185
LEU D 181
ILE E 172
HIS D 352
LEU D 351
 EDO  D 402 (-4.0A)
None
None
None
None
 1.18A 1g50A-5nkmD:
undetectable		 1g50A-5nkmD:
21.66
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.
5oqp CONDENSIN COMPLEX
SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 159
LEU A 158
MET A 145
ILE A 144
LEU A 138
 None
 1.23A 1g50A-5oqpA:
undetectable		 1g50A-5oqpA:
15.48
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) 		10 LEU A 298
LEU A 301
ALA A 302
GLU A 305
LEU A 339
MET A 340
ARG A 346
ILE A 376
HIS A 475
LEU A 476
 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 (-4.4A)
EST  A 601 (-3.5A)
 0.52A 1g50A-5toaA:
30.9		 1g50A-5toaA:
59.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 LEU A  96
GLU A 168
LEU A 195
ILE A  39
LEU A  34
 None
 1.11A 1g50A-5u4hA:
undetectable		 1g50A-5u4hA:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 ALA A 625
GLU A 626
LEU A 644
ILE A 637
LEU A 600
 None
 1.18A 1g50A-5ux5A:
undetectable		 1g50A-5ux5A:
13.17
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.
5v2m MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Enterococcus
faecalis) 		no annotation 5 LEU A 110
LEU A 113
ALA A 114
LEU A 133
ILE A  26
 None
None
None
None
SO4  A 401 ( 4.3A)
 1.12A 1g50A-5v2mA:
undetectable		 1g50A-5v2mA:
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.
5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 LEU A  50
LEU A  51
ALA A  52
LEU A  64
LEU A  98
 LEU  A  50 ( 0.6A)
LEU  A  51 ( 0.6A)
ALA  A  52 ( 0.0A)
LEU  A  64 ( 0.6A)
LEU  A  98 ( 0.6A)
 1.28A 1g50A-5wo6A:
undetectable		 1g50A-5wo6A:
16.44
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 LEU A 241
LEU A 242
ALA A 243
ILE A 184
LEU A 225
 None
 1.29A 1g50A-5x7uA:
undetectable		 1g50A-5x7uA:
16.95
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.
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
 1.01A 1g50A-5yvsA:
undetectable		 1g50A-5yvsA:
15.91
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 LEU A 137
ALA A 141
LEU A 455
MET A 312
ILE A 315
 None
 1.22A 1g50A-5z73A:
undetectable		 1g50A-5z73A:
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.
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
 1.12A 1g50A-6ez8B:
undetectable		 1g50A-6ez8B:
16.67