SIMILAR PATTERNS OF AMINO ACIDS FOR 1GWR_A_ESTA600_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.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		5 LEU A 148
LEU A 179
LEU A  53
ARG A  63
HIS A 136
 None
 1.19A 1gwrA-1eg3A:
0.0		 1gwrA-1eg3A:
22.52
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.
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
 1.09A 1gwrA-1g3nC:
0.0		 1gwrA-1g3nC:
25.63
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.
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 1gwrA-1i0aA:
0.1		 1gwrA-1i0aA:
21.34
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		5 LEU A  57
LEU A  54
ALA A  53
LEU A  44
LEU A  33
 None
 1.26A 1gwrA-1iduA:
0.0		 1gwrA-1iduA:
14.52
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		5 LEU A 312
LEU A 313
ALA A 310
LEU A 326
LEU A 264
 None
 1.22A 1gwrA-1ituA:
0.0		 1gwrA-1ituA:
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.
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
 0.87A 1gwrA-1khyA:
0.7		 1gwrA-1khyA:
24.55
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.15A 1gwrA-1loxA:
0.0		 1gwrA-1loxA:
17.10
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.
1mvl PPC DECARBOXYLASE
ATHAL3A

(Arabidopsis
thaliana) 		PF02441
(Flavoprotein) 		5 LEU A  23
ALA A  25
LEU A 122
LEU A 121
LEU A 135
 None
 1.11A 1gwrA-1mvlA:
0.0		 1gwrA-1mvlA:
21.96
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) 		7 MET A 342
LEU A 346
LEU A 349
GLU A 353
LEU A 387
LEU A 391
ARG A 394
 None
EST  A   1 (-4.4A)
EST  A   1 ( 4.8A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
 1.40A 1gwrA-1pcgA:
37.2		 1gwrA-1pcgA:
98.77
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) 		10 MET A 343
LEU A 346
LEU A 349
ALA A 350
GLU A 353
LEU A 387
LEU A 391
ARG A 394
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)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.31A 1gwrA-1pcgA:
37.2		 1gwrA-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.
1t6o PHOSPHOPROTEIN

(Measles
morbillivirus) 		PF03210
(Paramyx_P_V_C)
no annotation 		5 MET B 501
LEU B 498
LEU B 495
ALA B 494
LEU A 485
 None
 1.34A 1gwrA-1t6oB:
undetectable		 1gwrA-1t6oB:
7.21
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.
1tj5 SUCROSE-PHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF05116
(S6PP) 		5 LEU A  37
ALA A  38
LEU A   5
LEU A   4
LEU A 193
 None
 1.28A 1gwrA-1tj5A:
undetectable		 1gwrA-1tj5A:
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.
1ugo BCL2-ASSOCIATED
ATHANOGENE 5

(Mus musculus) 		PF02179
(BAG) 		5 ALA A  79
GLU A  83
LEU A  57
LEU A  53
LEU A  20
 None
 1.14A 1gwrA-1ugoA:
undetectable		 1gwrA-1ugoA:
16.88
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.
1wxx HYPOTHETICAL PROTEIN
TTHA1280

(Thermus
thermophilus) 		PF10672
(Methyltrans_SAM) 		5 LEU A  97
LEU A  80
ALA A  79
LEU A 105
HIS A 362
 None
 1.19A 1gwrA-1wxxA:
undetectable		 1gwrA-1wxxA:
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.
1wzz PROBABLE
ENDOGLUCANASE

(Komagataeibacter
xylinus) 		PF01270
(Glyco_hydro_8) 		5 LEU A 300
ALA A 301
GLU A 304
LEU A 314
LEU A 317
 None
 1.19A 1gwrA-1wzzA:
undetectable		 1gwrA-1wzzA:
21.89
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
 0.52A 1gwrA-1xb7A:
28.7		 1gwrA-1xb7A:
33.33
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 LEU A 165
ALA A 168
LEU A 148
HIS A 104
LEU A 103
 None
 1.21A 1gwrA-1z7eA:
undetectable		 1gwrA-1z7eA:
17.80
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.
1zh8 OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A 305
LEU A 308
ALA A 309
GLU A 312
LEU A 327
 None
 1.17A 1gwrA-1zh8A:
undetectable		 1gwrA-1zh8A:
20.91
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.
2atc ASPARTATE
CARBAMOYLTRANSFERASE
, CATALYTIC CHAIN

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A  30
ALA A 293
LEU A 297
LEU A 303
LEU A  24
 None
 1.26A 1gwrA-2atcA:
undetectable		 1gwrA-2atcA:
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		5 MET A  65
LEU A  68
LEU A  71
ALA A  72
LEU A 319
 None
 0.93A 1gwrA-2cxnA:
undetectable		 1gwrA-2cxnA:
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.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		5 LEU A 278
LEU A 281
ALA A 282
LEU A 259
LEU A  93
 None
 1.14A 1gwrA-2ef4A:
undetectable		 1gwrA-2ef4A:
22.77
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.
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
 1.03A 1gwrA-2fe1A:
undetectable		 1gwrA-2fe1A:
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.
2fe1 CONSERVED
HYPOTHETICAL PROTEIN
PAE0151

(Pyrobaculum
aerophilum) 		PF01850
(PIN) 		5 LEU A  38
ALA A  39
GLU A  42
HIS A  34
LEU A  75
 None
 1.13A 1gwrA-2fe1A:
undetectable		 1gwrA-2fe1A:
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 MET A 381
LEU A 384
LEU A 387
ALA A 388
LEU A 322
 None
 1.16A 1gwrA-2fgeA:
undetectable		 1gwrA-2fgeA:
13.57
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)
 0.63A 1gwrA-2gpvA:
26.7		 1gwrA-2gpvA:
36.90
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.
2hx0 PUTATIVE DNA-BINDING
PROTEIN

(Salmonella
enterica) 		PF03479
(DUF296) 		5 ALA A  40
GLU A 117
LEU A  37
ARG A 141
LEU A  28
 None
 1.29A 1gwrA-2hx0A:
undetectable		 1gwrA-2hx0A:
22.92
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.
2ja2 GLUTAMYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00749
(tRNA-synt_1c) 		5 LEU A  23
ALA A  27
LEU A  65
LEU A  61
LEU A 284
 None
 1.32A 1gwrA-2ja2A:
undetectable		 1gwrA-2ja2A:
19.88
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.
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
 1.20A 1gwrA-2o36A:
undetectable		 1gwrA-2o36A:
17.58
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) 		6 MET A 342
LEU A 346
LEU A 349
GLU A 353
LEU A 391
ARG A 394
 None
EST  A 596 (-4.4A)
EST  A 596 ( 4.1A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
 1.48A 1gwrA-2ocfA:
36.6		 1gwrA-2ocfA:
99.59
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) 		10 MET A 343
LEU A 346
LEU A 349
ALA A 350
GLU A 353
LEU A 387
LEU A 391
ARG A 394
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)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.44A 1gwrA-2ocfA:
36.6		 1gwrA-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.
2oga TRANSAMINASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 MET A 147
LEU A 150
LEU A 153
ALA A 154
HIS A 139
 None
 1.30A 1gwrA-2ogaA:
undetectable		 1gwrA-2ogaA:
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.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  32
LEU A  35
ALA A  36
LEU A  77
ARG A  80
 1CA  A 247 (-4.0A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
 0.39A 1gwrA-2q3yA:
28.2		 1gwrA-2q3yA:
27.72
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.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE

(Thermobacillus
xylanilyticus) 		PF06964
(Alpha-L-AF_C) 		5 MET A  63
LEU A  60
LEU A  57
LEU A  38
LEU A 365
 None
 1.12A 1gwrA-2vrkA:
undetectable		 1gwrA-2vrkA:
18.24
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.
2wzm ALDO-KETO REDUCTASE

(Mycolicibacterium
smegmatis) 		PF00248
(Aldo_ket_red) 		5 MET A 261
LEU A 264
LEU A 267
LEU A 203
LEU A 231
 None
 1.27A 1gwrA-2wzmA:
undetectable		 1gwrA-2wzmA:
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.
2yzm D-ALANINE--D-ALANINE
LIGASE

(Thermus
thermophilus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 LEU A  53
LEU A  50
ALA A  49
LEU A   5
HIS A  14
 None
 1.30A 1gwrA-2yzmA:
undetectable		 1gwrA-2yzmA:
23.68
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.
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)
 1.08A 1gwrA-3ee4A:
undetectable		 1gwrA-3ee4A:
20.36
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.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

(Bacillus
subtilis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ALA A 217
GLU A 216
LEU A 280
LEU A 283
LEU A 180
 None
 1.34A 1gwrA-3egoA:
undetectable		 1gwrA-3egoA:
22.19
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.
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
 1.08A 1gwrA-3f7cA:
undetectable		 1gwrA-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.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 150
ALA A 151
LEU A 127
LEU A  97
LEU A 134
 None
 1.28A 1gwrA-3fhtA:
undetectable		 1gwrA-3fhtA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fnr ARGINYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00750
(tRNA-synt_1d)
PF05746
(DALR_1) 		5 LEU A  82
LEU A  85
ALA A  86
LEU A 508
LEU A 443
 None
 1.33A 1gwrA-3fnrA:
undetectable		 1gwrA-3fnrA:
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 LEU A 133
ALA A 136
GLU A 135
LEU A 170
LEU A  94
 None
 1.22A 1gwrA-3kn1A:
undetectable		 1gwrA-3kn1A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 361
ALA A 359
GLU A 358
ARG A 351
HIS A 139
 None
 1.33A 1gwrA-3nzgA:
undetectable		 1gwrA-3nzgA:
20.25
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.
3o7j OHCU DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF09349
(OHCU_decarbox) 		5 GLU A 161
LEU A 158
ARG A  49
HIS A  80
LEU A  83
 None
 1.31A 1gwrA-3o7jA:
undetectable		 1gwrA-3o7jA:
23.57
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.
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
 1.16A 1gwrA-3p8cB:
undetectable		 1gwrA-3p8cB:
12.88
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.
3q4g NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Vibrio cholerae) 		PF02540
(NAD_synthase) 		5 LEU A  56
LEU A  59
ALA A  60
GLU A  63
LEU A 164
 None
 1.29A 1gwrA-3q4gA:
undetectable		 1gwrA-3q4gA:
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.07A 1gwrA-3rdeA:
undetectable		 1gwrA-3rdeA:
20.46
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.
3s8d COENZYME A
TRANSFERASE

(Yersinia pestis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 LEU A  40
LEU A  43
ALA A  44
LEU A  75
LEU A  71
 None
 1.22A 1gwrA-3s8dA:
undetectable		 1gwrA-3s8dA:
18.82
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		5 LEU A 238
LEU A 235
ALA A 234
LEU A 489
LEU A 203
 None
 1.33A 1gwrA-3slkA:
undetectable		 1gwrA-3slkA:
14.76
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.
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
 1.24A 1gwrA-3sqnA:
undetectable		 1gwrA-3sqnA:
19.88
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.
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
 0.71A 1gwrA-3u07A:
undetectable		 1gwrA-3u07A:
18.89
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.
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
 1.26A 1gwrA-3uarA:
undetectable		 1gwrA-3uarA:
23.86
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 LEU A 190
ALA A 193
LEU A 197
LEU A 600
LEU A 163
 None
 1.33A 1gwrA-3ummA:
undetectable		 1gwrA-3ummA:
11.36
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.
3un6 HYPOTHETICAL PROTEIN
SAOUHSC_00137

(Staphylococcus
aureus) 		PF13379
(NMT1_2) 		5 LEU A  93
LEU A  96
ALA A  97
LEU A  78
HIS A 114
 None
None
None
None
ZN  A 325 ( 4.9A)
 1.09A 1gwrA-3un6A:
undetectable		 1gwrA-3un6A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		5 LEU A  77
ALA A  78
GLU A  81
LEU A 167
LEU A 159
 None
 1.19A 1gwrA-3wrtA:
undetectable		 1gwrA-3wrtA:
20.49
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.
3zzz POLYPYRIMIDINE
TRACT-BINDING
PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 226
ALA A 224
LEU A 253
HIS A 201
LEU A 197
 None
 1.21A 1gwrA-3zzzA:
undetectable		 1gwrA-3zzzA:
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.
4cad RAS AND A-FACTOR
CONVERTING ENZYME 1,
RCE1

(Methanococcus
maripaludis) 		PF02517
(Abi) 		5 LEU C 132
LEU C 135
ALA C 136
LEU C  48
LEU C  45
 None
 0.89A 1gwrA-4cadC:
undetectable		 1gwrA-4cadC:
22.42
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.
4dg8 PA1221

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 LEU A 206
ALA A 255
LEU A 261
HIS A 298
LEU A 301
 None
 1.18A 1gwrA-4dg8A:
undetectable		 1gwrA-4dg8A:
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.
4dmg PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1493

(Thermus
thermophilus) 		PF02475
(Met_10) 		5 LEU A 316
LEU A 313
ALA A 312
LEU A 286
HIS A 283
 None
 1.33A 1gwrA-4dmgA:
undetectable		 1gwrA-4dmgA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 1gwrA-4g3fA:
undetectable		 1gwrA-4g3fA:
22.62
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.
4g8k 2-5A-DEPENDENT
RIBONUCLEASE

(Homo sapiens) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 LEU A 278
LEU A 279
ALA A 280
LEU A 292
LEU A 320
 None
 1.30A 1gwrA-4g8kA:
undetectable		 1gwrA-4g8kA:
24.08
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.
4gbs PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		PF14064
(HmuY) 		5 MET A 190
LEU A 187
ALA A 197
HIS A  71
LEU A  70
 None
 1.22A 1gwrA-4gbsA:
undetectable		 1gwrA-4gbsA:
20.77
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.
4idt MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 14

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 496
LEU A 493
ALA A 492
LEU A 590
LEU A 477
 None
 1.18A 1gwrA-4idtA:
undetectable		 1gwrA-4idtA:
21.94
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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 LEU A 286
LEU A 289
ALA A 290
LEU A 276
LEU A 275
 None
 1.05A 1gwrA-4iuwA:
undetectable		 1gwrA-4iuwA:
16.59
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.
4j1l TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27) 		5 MET A 245
LEU A 242
ALA A 114
LEU A 107
LEU A 350
 None
 1.14A 1gwrA-4j1lA:
undetectable		 1gwrA-4j1lA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kkj TRANSCOBALAMIN-1

(Homo sapiens) 		PF01122
(Cobalamin_bind)
PF14478
(DUF4430) 		5 LEU A 126
LEU A 129
ALA A 130
LEU A  36
LEU A  72
 None
 1.29A 1gwrA-4kkjA:
undetectable		 1gwrA-4kkjA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 LEU A1295
ALA A1296
GLU A1299
LEU A1389
LEU A1388
 None
 0.90A 1gwrA-4logA:
14.6		 1gwrA-4logA:
15.90
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 283
LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
 None
 0.45A 1gwrA-4n1yA:
30.9		 1gwrA-4n1yA:
39.29
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 LEU A 236
LEU A 235
ALA A 234
LEU A 162
LEU A 109
 HEM  A 501 ( 4.5A)
None
None
None
None
 1.32A 1gwrA-4oqsA:
undetectable		 1gwrA-4oqsA:
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.
4oyd APOPTOSIS REGULATOR
BHRF1

(Human
gammaherpesvirus
4) 		PF00452
(Bcl-2) 		5 LEU A  31
ALA A  33
LEU A  10
HIS A  26
LEU A  25
 None
 1.34A 1gwrA-4oydA:
undetectable		 1gwrA-4oydA:
24.80
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.
4q5n GLUTHATIONE
S-TRANSFERASE BLO T
8 ISOFORM

(Blomia
tropicalis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 MET A  90
GLU A 105
LEU A 171
HIS A  24
LEU A  21
 None
 1.30A 1gwrA-4q5nA:
undetectable		 1gwrA-4q5nA:
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 328
ALA A 329
LEU A 336
LEU A 309
LEU A 384
 None
 1.10A 1gwrA-4q73A:
undetectable		 1gwrA-4q73A:
15.90
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.
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
 0.68A 1gwrA-4s15A:
22.6		 1gwrA-4s15A:
25.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		5 MET B 259
LEU B 262
ALA B 265
LEU B 319
LEU B 441
 None
 0.99A 1gwrA-4tx2B:
undetectable		 1gwrA-4tx2B:
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 LEU A 406
ALA A 407
GLU A 410
HIS A 449
LEU A 447
 None
 1.01A 1gwrA-4u98A:
2.3		 1gwrA-4u98A:
19.44
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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 769
LEU A 772
ALA A 773
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 (-4.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.37A 1gwrA-4udbA:
27.9		 1gwrA-4udbA:
26.95
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 305
LEU A 296
LEU A 286
ARG A 272
LEU A 159
 None
None
None
None
VFV  A 580 (-4.5A)
 1.27A 1gwrA-4uhiA:
undetectable		 1gwrA-4uhiA:
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii) 		PF08514
(STAG) 		5 LEU A 773
LEU A 776
ALA A 777
LEU A 825
LEU A 826
 None
 1.01A 1gwrA-4uvkA:
undetectable		 1gwrA-4uvkA:
14.45
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.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 LEU A 249
ALA A 248
LEU A 231
LEU A   3
LEU A 258
 None
 1.31A 1gwrA-4wa8A:
undetectable		 1gwrA-4wa8A:
22.71
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.
4y5f BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 LEU A 121
ALA A  44
LEU A  42
LEU A  41
LEU A  85
 None
 1.19A 1gwrA-4y5fA:
undetectable		 1gwrA-4y5fA:
22.49
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.
4ybq SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Rattus
norvegicus) 		PF00083
(Sugar_tr) 		5 LEU A 233
ALA A 232
LEU A 219
LEU A 220
LEU A 152
 None
 1.08A 1gwrA-4ybqA:
undetectable		 1gwrA-4ybqA:
19.42
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 MET A 708
LEU A 695
ALA A 647
GLU A 651
LEU A 577
 None
 1.29A 1gwrA-4z7gA:
undetectable		 1gwrA-4z7gA:
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.
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
 1.23A 1gwrA-5d8gA:
undetectable		 1gwrA-5d8gA:
17.70
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.
5ekd TRYPTOPHAN--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 LEU A  99
LEU A 100
ALA A  97
LEU A 331
LEU A 335
 None
 1.14A 1gwrA-5ekdA:
undetectable		 1gwrA-5ekdA:
20.45
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 MET B 165
LEU B 172
ALA B 174
LEU B  67
LEU B 113
 None
 1.26A 1gwrA-5g5gB:
undetectable		 1gwrA-5g5gB:
20.25
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.
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
 1.04A 1gwrA-5gk9A:
undetectable		 1gwrA-5gk9A:
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.
5it1 PUTATIVE CYTOCHROME
P450

(Streptomyces
peucetius) 		PF00067
(p450) 		5 LEU A 253
LEU A 254
ALA A 251
LEU A 365
LEU A 281
 None
 1.29A 1gwrA-5it1A:
undetectable		 1gwrA-5it1A:
20.59
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.
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 1gwrA-5j6sA:
undetectable		 1gwrA-5j6sA:
14.45
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.
5jxm PRIB

(Streptomyces
sp. RM-5-8) 		PF11991
(Trp_DMAT) 		5 LEU A 223
LEU A 182
LEU A 152
HIS A 205
LEU A 200
 None
 1.34A 1gwrA-5jxmA:
undetectable		 1gwrA-5jxmA:
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.
5la0 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 LEU A 165
LEU A 210
GLU A 167
LEU A 308
HIS A 163
 None
 1.32A 1gwrA-5la0A:
undetectable		 1gwrA-5la0A:
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N) 		5 LEU M  39
LEU M 446
LEU M 447
HIS M 440
LEU M 439
 None
 1.11A 1gwrA-5lc5M:
undetectable		 1gwrA-5lc5M:
21.86
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 769
LEU A 772
ALA A 773
LEU A 814
ARG A 817
 ECV  A1101 (-4.7A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
 0.31A 1gwrA-5mwpA:
25.0		 1gwrA-5mwpA:
16.23
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 MET A 294
LEU A 298
LEU A 301
GLU A 305
LEU A 343
ARG A 346
 None
EST  A 601 (-4.1A)
EST  A 601 ( 4.3A)
EST  A 601 (-2.4A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 1.42A 1gwrA-5toaA:
31.5		 1gwrA-5toaA:
59.76
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 MET A 295
LEU A 298
LEU A 301
ALA A 302
GLU A 305
LEU A 339
LEU A 343
ARG A 346
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 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.37A 1gwrA-5toaA:
31.5		 1gwrA-5toaA:
59.76
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 5 LEU A 131
LEU A 132
ALA A 129
LEU A  96
LEU A  94
 None
 1.20A 1gwrA-5ty7A:
undetectable		 1gwrA-5ty7A:
16.75
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.
5ux2 ALDEHYDE
DECARBONYLASE

(Synechococcus
sp. RS9917) 		no annotation 5 LEU A 199
ALA A 203
GLU A 146
LEU A 106
LEU A 218
 None
 1.25A 1gwrA-5ux2A:
2.1		 1gwrA-5ux2A:
17.55
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		5 ALA A 178
GLU A 181
LEU A 150
HIS A 232
LEU A 229
 None
 1.26A 1gwrA-5vwsA:
undetectable		 1gwrA-5vwsA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1gwrA-5wo6A:
undetectable		 1gwrA-5wo6A:
16.52
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 MET A 270
LEU A 336
LEU A 335
GLU A 108
ARG A 393
 None
 1.33A 1gwrA-6axeA:
undetectable		 1gwrA-6axeA:
17.15
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.
6ei3 PROTON-DEPENDENT
OLIGOPEPTIDE
TRANSPORTER FAMILY
PROTEIN

(Xanthomonas
campestris) 		no annotation 5 MET A 355
LEU A 352
LEU A 349
ALA A 348
LEU A 172
 78M  A 613 (-4.4A)
78M  A 610 ( 3.8A)
78M  A 610 (-4.3A)
78M  A 610 (-3.7A)
78M  A 612 ( 4.3A)
 1.28A 1gwrA-6ei3A:
undetectable		 1gwrA-6ei3A:
19.44
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.
6fn0 -

(-) 		no annotation 5 LEU A 271
LEU A 272
ALA A 269
LEU A 136
LEU A 222
 None
 1.13A 1gwrA-6fn0A:
undetectable		 1gwrA-6fn0A:
undetectable