SIMILAR PATTERNS OF AMINO ACIDS FOR 5GTR_A_ESTA601_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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 ALA B 173
LEU B 153
LEU B 152
ILE B 493
GLY B 491
 None
 0.99A 5gtrA-1a6dB:
undetectable		 5gtrA-1a6dB:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE

(Streptomyces
antibioticus) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase) 		5 LEU A 510
GLU A 513
ARG A 339
ILE A 561
GLY A 487
 None
 1.12A 5gtrA-1e3hA:
undetectable		 5gtrA-1e3hA:
15.88
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 LEU A 199
ALA A 196
LEU A 248
LEU A 249
GLY A 242
 None
 1.00A 5gtrA-1ekqA:
0.0		 5gtrA-1ekqA:
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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		5 ALA A 212
GLU A 191
LEU A 298
ARG A 186
LEU A 223
 None
 1.07A 5gtrA-1g0vA:
undetectable		 5gtrA-1g0vA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyn FRUCTOSE-BISPHOSPHAT
E ALDOLASE II

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		5 LEU A 116
LEU A 115
ILE A  83
GLY A 121
LEU A 123
 None
 0.95A 5gtrA-1gynA:
undetectable		 5gtrA-1gynA:
20.94
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.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		6 LEU A  49
ALA A  46
LEU A  60
ILE A 100
GLY A  66
LEU A  67
 None
 1.19A 5gtrA-1i0aA:
0.1		 5gtrA-1i0aA:
21.43
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 263
LEU A 134
LEU A 132
ILE A 298
LEU A 270
 None
 1.09A 5gtrA-1ldnA:
undetectable		 5gtrA-1ldnA:
24.35
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.
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
 1.05A 5gtrA-1nklA:
0.7		 5gtrA-1nklA:
16.25
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.
1ope SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Sus scrofa) 		PF01144
(CoA_trans) 		5 LEU A  46
ALA A  48
LEU A 170
ILE A  30
GLY A  24
 None
 1.13A 5gtrA-1opeA:
undetectable		 5gtrA-1opeA:
18.28
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 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
MET A 421
ILE A 424
GLY A 521
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.6A)
 0.49A 5gtrA-1pcgA:
36.2		 5gtrA-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.
1pvt SUGAR-PHOSPHATE
ALDOLASE

(Thermotoga
maritima) 		PF00596
(Aldolase_II) 		5 ALA A 215
GLU A 216
LEU A 127
GLY A 193
LEU A 188
 None
 1.03A 5gtrA-1pvtA:
undetectable		 5gtrA-1pvtA:
22.66
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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		5 ALA A 175
LEU A 155
LEU A 154
ILE A 495
GLY A 493
 None
 1.01A 5gtrA-1q3sA:
2.5		 5gtrA-1q3sA:
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ALA A 231
GLU A 230
LEU A 226
LEU A 224
LEU A  63
 None
 1.04A 5gtrA-1sgvA:
undetectable		 5gtrA-1sgvA:
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ALA A 231
LEU A 226
LEU A 224
ILE A  51
LEU A  63
 None
 1.14A 5gtrA-1sgvA:
undetectable		 5gtrA-1sgvA:
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		5 LEU A 207
LEU A 206
ILE A  92
GLY A 239
LEU A 236
 None
 1.08A 5gtrA-1ybfA:
undetectable		 5gtrA-1ybfA:
21.26
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.
1z7s HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		5 LEU 2 186
ALA 2 187
LEU 2 181
LEU 2 177
GLY 2  77
 None
 1.11A 5gtrA-1z7s2:
undetectable		 5gtrA-1z7s2:
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.
2aao CALCIUM-DEPENDENT
PROTEIN KINASE,
ISOFORM AK1

(Arabidopsis
thaliana) 		PF13499
(EF-hand_7) 		5 LEU A  60
LEU A  68
MET A  32
ILE A  36
GLY A  52
 None
 1.07A 5gtrA-2aaoA:
undetectable		 5gtrA-2aaoA:
20.23
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.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		5 ALA A  66
GLU A  69
LEU A  40
ILE A  86
GLY A  85
 None
 1.04A 5gtrA-2c1hA:
undetectable		 5gtrA-2c1hA:
21.70
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.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 550
ALA A 546
MET A 680
GLY A 675
LEU A 673
 None
 1.14A 5gtrA-2f57A:
undetectable		 5gtrA-2f57A:
20.45
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) 		5 LEU A 271
ALA A 272
GLU A 275
LEU A 309
ARG A 316
 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)
 0.46A 5gtrA-2gpvA:
25.9		 5gtrA-2gpvA:
37.05
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.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		5 LEU D 103
LEU D 104
ARG D 221
ILE D 236
GLY D  96
 None
 0.90A 5gtrA-2j5gD:
undetectable		 5gtrA-2j5gD:
22.83
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 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
MET A 421
ILE A 424
GLY A 521
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-3.6A)
 0.63A 5gtrA-2ocfA:
34.5		 5gtrA-2ocfA:
99.59
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.
2pmp 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Arabidopsis
thaliana) 		PF02542
(YgbB) 		5 LEU A  86
ALA A  83
GLU A  82
GLY A 124
LEU A 123
 None
 0.99A 5gtrA-2pmpA:
undetectable		 5gtrA-2pmpA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  35
ALA A  36
LEU A  77
ARG A  80
MET A 108
 1CA  A 247 ( 4.4A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
 0.75A 5gtrA-2q3yA:
27.1		 5gtrA-2q3yA:
27.21
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.
2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Paraburkholderia
phytofirmans) 		PF13407
(Peripla_BP_4) 		5 ALA A  44
LEU A  92
LEU A  93
ILE A  86
GLY A  85
 None
 1.05A 5gtrA-2rjoA:
undetectable		 5gtrA-2rjoA:
22.90
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.
2wfd LEUCYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Homo sapiens) 		PF00133
(tRNA-synt_1) 		5 LEU A 449
ALA A 463
GLU A 462
ILE A 434
GLY A 471
 None
 1.14A 5gtrA-2wfdA:
undetectable		 5gtrA-2wfdA:
21.43
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.
2wnt RIBOSOMAL PROTEIN S6
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 512
LEU A 604
LEU A 603
GLY A 610
LEU A 686
 None
 1.06A 5gtrA-2wntA:
undetectable		 5gtrA-2wntA:
25.00
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.
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
 0.97A 5gtrA-2x7xA:
undetectable		 5gtrA-2x7xA:
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 MET A 503
ALA A 524
LEU A 493
MET A 492
GLY A 575
 PGR  A1764 ( 3.5A)
None
None
None
PGR  A1742 (-4.2A)
 0.88A 5gtrA-2xe4A:
undetectable		 5gtrA-2xe4A:
15.77
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.
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
 1.03A 5gtrA-2zkjA:
undetectable		 5gtrA-2zkjA:
20.44
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.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 LEU A 326
LEU A 311
ILE A 435
GLY A 316
LEU A 318
 None
 1.10A 5gtrA-3d1jA:
undetectable		 5gtrA-3d1jA:
21.58
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.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA X 319
GLU X 318
LEU X 314
ARG X  11
GLY X 220
 None
 1.11A 5gtrA-3e3bX:
undetectable		 5gtrA-3e3bX:
21.99
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.
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
 1.04A 5gtrA-3eo3A:
undetectable		 5gtrA-3eo3A:
24.17
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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 483
LEU A 341
LEU A 342
MET A 288
ILE A 291
 None
 1.07A 5gtrA-3g4gA:
3.1		 5gtrA-3g4gA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 LEU A 482
GLU A 485
ARG A 315
ILE A 533
GLY A 463
 None
 1.11A 5gtrA-3gmeA:
undetectable		 5gtrA-3gmeA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goa 3-KETOACYL-COA
THIOLASE

(Salmonella
enterica) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 246
LEU A  34
MET A  35
LEU A  38
ILE A  53
 None
 1.12A 5gtrA-3goaA:
undetectable		 5gtrA-3goaA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 5gtrA-3higA:
undetectable		 5gtrA-3higA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		6 LEU A 246
ALA A 247
LEU A 163
MET A 216
GLY A 213
LEU A 209
 None
 1.44A 5gtrA-3l0zA:
undetectable		 5gtrA-3l0zA:
20.23
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 ALA A 351
LEU A 202
LEU A 205
ILE A 297
GLY A 294
 NA  A 751 (-4.9A)
None
None
None
None
 1.08A 5gtrA-3mpnA:
undetectable		 5gtrA-3mpnA:
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 391
LEU A 249
LEU A 250
MET A 196
ILE A 199
 None
 1.08A 5gtrA-3o57A:
2.8		 5gtrA-3o57A:
20.44
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.
3pen TRANSLATION
INITIATION FACTOR 2
SUBUNIT GAMMA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 MET A 215
LEU A 246
ALA A 289
GLU A 288
GLY A 298
 None
None
None
None
5GP  A   1 (-3.7A)
 1.12A 5gtrA-3penA:
undetectable		 5gtrA-3penA:
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 218
LEU A 161
ILE A 263
GLY A 260
LEU A 259
 None
 0.95A 5gtrA-3qtpA:
undetectable		 5gtrA-3qtpA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r2h BACTERIOFERRITIN

(Pseudomonas
aeruginosa) 		PF00210
(Ferritin) 		5 LEU A  19
LEU A  59
LEU A  58
ILE A   8
GLY A  67
 None
 1.14A 5gtrA-3r2hA:
undetectable		 5gtrA-3r2hA:
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.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 317
LEU A 175
LEU A 176
MET A 122
ILE A 125
 ALA  A 317 ( 0.0A)
LEU  A 175 ( 0.6A)
LEU  A 176 ( 0.6A)
MET  A 122 ( 0.0A)
ILE  A 125 ( 0.6A)
 1.08A 5gtrA-3sl5A:
3.2		 5gtrA-3sl5A:
21.33
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.
3swh PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF10540
(Membr_traf_MHD) 		5 LEU A1477
ALA A1357
MET A1399
ILE A1403
GLY A1333
 None
 1.11A 5gtrA-3swhA:
undetectable		 5gtrA-3swhA:
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.
3tzt GLYCOSYL TRANSFERASE
FAMILY 8

(Anaerococcus
prevotii) 		PF01501
(Glyco_transf_8) 		5 LEU A   5
ALA A   4
LEU A 118
ILE A 122
LEU A 163
 None
EDO  A 302 (-4.5A)
EDO  A 302 (-4.3A)
None
None
 1.10A 5gtrA-3tztA:
undetectable		 5gtrA-3tztA:
23.76
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.
3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL

(Homo sapiens) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 LEU A 534
GLU A 537
ARG A 358
ILE A 585
GLY A 508
 None
 1.05A 5gtrA-3u1kA:
undetectable		 5gtrA-3u1kA:
17.52
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.
3wau 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Bacteroides
fragilis) 		PF04041
(Glyco_hydro_130) 		5 GLU A 314
LEU A 323
ARG A  35
ILE A 250
GLY A 274
 None
 1.10A 5gtrA-3wauA:
undetectable		 5gtrA-3wauA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		5 ALA A 290
GLU A 289
MET A  14
ILE A 268
GLY A 266
 None
None
None
None
MG  A 501 ( 4.4A)
 0.95A 5gtrA-3wbhA:
undetectable		 5gtrA-3wbhA:
18.50
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.
4bl0 CELL CYCLE ARREST
PROTEIN BUB3
CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF08171
(Mad3_BUB1_II) 		5 LEU B 340
ALA B 341
ILE A 104
GLY A  79
LEU A 102
 None
 1.01A 5gtrA-4bl0B:
undetectable		 5gtrA-4bl0B:
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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 LEU A 383
LEU A 272
ILE A 410
GLY A 266
LEU A 265
 None
 1.15A 5gtrA-4c9mA:
2.6		 5gtrA-4c9mA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 LEU A 357
ALA A 356
LEU A  35
GLY A 399
LEU A 397
 None
 0.96A 5gtrA-4ccdA:
undetectable		 5gtrA-4ccdA:
16.48
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.
4cok PYRUVATE
DECARBOXYLASE

(Gluconacetobacter
diazotrophicus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 460
LEU A 488
MET A 449
ILE A 450
GLY A 499
 None
 0.96A 5gtrA-4cokA:
undetectable		 5gtrA-4cokA:
17.20
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.
4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		6 MET A 114
LEU A 102
ALA A 106
LEU A  82
LEU A  81
ILE A  27
 None
 1.24A 5gtrA-4dqdA:
undetectable		 5gtrA-4dqdA:
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.
4g34 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A1016
LEU A1017
MET A1052
GLY A1010
LEU A1009
 None
 0.95A 5gtrA-4g34A:
undetectable		 5gtrA-4g34A:
20.66
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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		5 ALA A  56
LEU A 324
LEU A 327
ILE A 189
GLY A 214
 None
 1.01A 5gtrA-4gp1A:
2.4		 5gtrA-4gp1A:
22.10
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.
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
 1.02A 5gtrA-4ihcA:
undetectable		 5gtrA-4ihcA:
21.53
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.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		5 LEU A  19
ALA A  20
LEU A  62
GLY A 330
LEU A 312
 None
 1.13A 5gtrA-4j34A:
undetectable		 5gtrA-4j34A:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		5 LEU A 362
ALA A 363
GLU A 366
GLY A 289
LEU A 285
 HEM  A 502 ( 4.6A)
HEM  A 502 (-2.9A)
None
None
None
 1.07A 5gtrA-4j6cA:
undetectable		 5gtrA-4j6cA:
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.
4jjn HISTONE H2A.2
HISTONE H2B.2

(Saccharomyces
cerevisiae) 		PF00125
(Histone)
PF16211
(Histone_H2A_C) 		5 LEU D  83
ALA D  80
GLU D  79
GLY C  38
LEU C  35
 None
 1.07A 5gtrA-4jjnD:
undetectable		 5gtrA-4jjnD:
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.
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
 1.11A 5gtrA-4k2bA:
undetectable		 5gtrA-4k2bA:
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 ALA E 290
LEU E 288
LEU E 194
ILE E 245
GLY E 207
 None
 0.99A 5gtrA-4kprE:
undetectable		 5gtrA-4kprE:
18.26
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		6 ALA A 263
GLU A 262
LEU A 210
ARG A 255
ILE A 183
GLY A 184
 None
 1.47A 5gtrA-4llsA:
undetectable		 5gtrA-4llsA:
23.91
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.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA E 318
GLU E 317
LEU E 313
ARG E  10
GLY E 219
 None
 1.10A 5gtrA-4md8E:
undetectable		 5gtrA-4md8E:
19.49
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
LEU A 324
ARG A 331
GLY A 444
 None
 1.07A 5gtrA-4n1yA:
30.4		 5gtrA-4n1yA:
39.36
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) 		7 LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
ILE A 361
GLY A 447
 None
 0.60A 5gtrA-4n1yA:
30.4		 5gtrA-4n1yA:
39.36
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) 		7 LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
MET A 358
ILE A 361
 None
 0.71A 5gtrA-4n1yA:
30.4		 5gtrA-4n1yA:
39.36
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.
4p3h KSHV PROTEASE

(Human
gammaherpesvirus
8) 		PF00716
(Peptidase_S21) 		5 ALA A 154
GLU A 155
LEU A 173
GLY A  57
LEU A  56
 None
 1.12A 5gtrA-4p3hA:
undetectable		 5gtrA-4p3hA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk1 RIBOSE
TRANSCRIPTIONAL
REGULATOR

(Enterococcus
faecium) 		PF13377
(Peripla_BP_3) 		5 LEU A 308
LEU A 309
ILE A  88
GLY A 302
LEU A 301
 None
 1.14A 5gtrA-4rk1A:
undetectable		 5gtrA-4rk1A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 772
ALA A 773
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.39A 5gtrA-4udbA:
26.7		 5gtrA-4udbA:
26.79
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.
4umz CYTOCHROME P450
HYDROXYLASE PIKC

(Streptomyces
venezuelae) 		PF00067
(p450) 		5 LEU A 359
ALA A 360
GLU A 363
GLY A 288
LEU A 284
 HEM  A1407 ( 4.6A)
HEM  A1407 (-3.3A)
None
None
None
 1.08A 5gtrA-4umzA:
2.4		 5gtrA-4umzA:
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 MET A 403
LEU A 410
LEU A 445
LEU A 443
GLY A 450
 None
 0.98A 5gtrA-4uwaA:
undetectable		 5gtrA-4uwaA:
5.22
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 563
LEU A 421
LEU A 422
MET A 368
ILE A 371
 None
 1.07A 5gtrA-4wziA:
3.3		 5gtrA-4wziA:
19.02
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA
PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT DELTA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 ALA C 299
LEU G 363
LEU G 364
ILE G 326
GLY G 357
 None
 0.90A 5gtrA-5b04C:
undetectable		 5gtrA-5b04C:
20.47
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.
5bvr ALPHA-ACTININ-LIKE
PROTEIN 1

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		5 MET A  84
LEU A  76
LEU A  43
ILE A  50
GLY A  51
 None
 1.10A 5gtrA-5bvrA:
undetectable		 5gtrA-5bvrA:
20.38
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.
5c8a LIGHT-DEPENDENT
TRANSCRIPTIONAL
REGULATOR CARH

(Thermus
thermophilus) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 LEU A 152
LEU A 124
LEU A 121
GLY A  84
LEU A  87
 None
B12  A 300 (-4.1A)
B12  A 300 (-4.3A)
None
None
 1.07A 5gtrA-5c8aA:
undetectable		 5gtrA-5c8aA:
22.05
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.
5cwe CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 LEU A 349
ALA A 350
GLU A 353
GLY A 278
LEU A 274
 HEM  A 403 ( 4.9A)
HEM  A 403 (-3.3A)
None
None
None
 1.13A 5gtrA-5cweA:
2.1		 5gtrA-5cweA:
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.
5e4y HOMOSERINE
O-ACETYLTRANSFERASE

(Pseudomonas
veronii) 		PF00561
(Abhydrolase_1) 		5 ALA A 163
LEU A 336
MET A  63
ILE A  66
GLY A 327
 None
 1.15A 5gtrA-5e4yA:
undetectable		 5gtrA-5e4yA:
18.93
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.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 LEU A  24
LEU A  60
LEU A 101
GLY A  93
LEU A  89
 None
 1.15A 5gtrA-5e7pA:
undetectable		 5gtrA-5e7pA:
17.81
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.
5gam PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08082
(PRO8NT)
PF08083
(PROCN) 		5 MET A 622
LEU A 175
LEU A 176
ILE A 719
LEU A 168
 None
None
None
C  U 111 ( 4.4A)
None
 1.11A 5gtrA-5gamA:
undetectable		 5gtrA-5gamA:
17.37
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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 LEU A 337
ALA A 248
LEU A 322
GLY A 302
LEU A 301
 None
None
None
GOL  A 502 ( 3.8A)
GOL  A 502 (-4.0A)
 1.01A 5gtrA-5hwqA:
undetectable		 5gtrA-5hwqA:
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.
5ijb TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF00560
(LRR_1)
PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A 207
LEU A 194
LEU A 197
GLY A 251
LEU A 249
 None
 0.94A 5gtrA-5ijbA:
undetectable		 5gtrA-5ijbA:
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 ALA A1016
GLU A1053
MET A1441
ILE A1486
GLY A 973
 None
None
None
GLC  A1708 ( 4.2A)
GLC  A1708 ( 3.5A)
 1.14A 5gtrA-5jbeA:
undetectable		 5gtrA-5jbeA:
13.48
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A  96
LEU A  53
ILE A 395
GLY A 267
LEU A 146
 None
 1.11A 5gtrA-5lnqA:
undetectable		 5gtrA-5lnqA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III

(Methanococcoides
burtonii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 315
ALA A 316
LEU A 109
ILE A 266
GLY A 265
 None
 1.11A 5gtrA-5macA:
undetectable		 5gtrA-5macA:
19.19
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.
5mji BRAMP DOMAIN PROTEIN

(Streptomyces
davaonensis) 		PF03358
(FMN_red) 		5 LEU A   8
LEU A 104
LEU A 107
GLY A 150
LEU A 146
 None
 1.07A 5gtrA-5mjiA:
undetectable		 5gtrA-5mjiA:
20.51
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 772
ALA A 773
LEU A 814
ARG A 817
MET A 845
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
 0.74A 5gtrA-5mwpA:
26.2		 5gtrA-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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ALA A  22
LEU A  19
ILE A 267
GLY A 223
LEU A 219
 None
 0.92A 5gtrA-5od2A:
undetectable		 5gtrA-5od2A:
14.41
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 ALA A 563
LEU A 421
LEU A 422
MET A 368
ILE A 371
 None
 1.07A 5gtrA-5ohjA:
3.2		 5gtrA-5ohjA:
17.70
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) 		6 LEU A 301
ALA A 302
GLU A 305
ARG A 346
ILE A 373
LEU A 476
 EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-4.1A)
None
EST  A 601 (-3.5A)
 1.23A 5gtrA-5toaA:
29.9		 5gtrA-5toaA:
59.84
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) 		11 MET A 295
LEU A 301
ALA A 302
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
ILE A 376
GLY A 472
LEU A 476
 EST  A 601 ( 4.4A)
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 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-3.5A)
 0.61A 5gtrA-5toaA:
29.9		 5gtrA-5toaA:
59.84
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.
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
 1.13A 5gtrA-5u4hA:
undetectable		 5gtrA-5u4hA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 5gtrA-5u4nA:
undetectable		 5gtrA-5u4nA:
20.11
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 MET A  74
LEU A  30
LEU A  35
ILE A 376
GLY A 135
 None
 1.14A 5gtrA-5x2qA:
undetectable		 5gtrA-5x2qA:
19.74
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.
5xgc RAP1 GTPASE-GDP
DISSOCIATION
STIMULATOR 1

(Homo sapiens) 		PF00514
(Arm) 		5 LEU A 149
LEU A 136
LEU A 140
MET A 194
GLY A 158
 None
 1.13A 5gtrA-5xgcA:
undetectable		 5gtrA-5xgcA:
20.32
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 MET A 248
LEU A 245
LEU A 184
ILE A 238
GLY A 235
 None
None
None
None
FAD  A 701 (-3.5A)
 1.07A 5gtrA-5xmjA:
undetectable		 5gtrA-5xmjA:
13.47
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.
5xx9 BACTERIOFERRITIN

(Streptomyces
coelicolor) 		no annotation 5 LEU A  19
LEU A  58
ILE A   8
GLY A  67
LEU A  68
 None
 1.08A 5gtrA-5xx9A:
undetectable		 5gtrA-5xx9A:
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 LEU A  58
LEU A 104
LEU A 105
GLY A  44
LEU A  94
 None
None
None
RFH  A 502 ( 4.7A)
None
 1.07A 5gtrA-6c7sA:
undetectable		 5gtrA-6c7sA:
15.23
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.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 5 LEU A 484
GLU A 487
ARG A 317
ILE A 535
GLY A 465
 None
 1.02A 5gtrA-6d6kA:
undetectable		 5gtrA-6d6kA:
14.71
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.
6gk6 -

(-) 		no annotation 5 LEU A 359
ALA A 360
GLU A 363
GLY A 288
LEU A 284
 HEM  A 501 ( 4.5A)
HEM  A 501 (-3.5A)
HEM  A 501 ( 4.5A)
None
None
 1.14A 5gtrA-6gk6A:
undetectable		 5gtrA-6gk6A:
undetectable