SIMILAR PATTERNS OF AMINO ACIDS FOR 5W8A_A_SAMA300

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.
1a59 CITRATE SYNTHASE

(Antarctic
bacterium
DS2-3R) 		PF00285
(Citrate_synt) 		5 LEU A 286
MET A 229
VAL A 228
PHE A 232
GLU A 306
 None
 1.27A 5w8aA-1a59A:
0.0		 5w8aA-1a59A:
21.05
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.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A  34
VAL A 239
PHE A 238
SER A 128
ILE A 194
 None
 1.22A 5w8aA-1i0aA:
0.0		 5w8aA-1i0aA:
18.42
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A 143
LEU A 144
PHE A 104
ILE A  53
GLU A 139
 None
 1.25A 5w8aA-1knrA:
undetectable		 5w8aA-1knrA:
20.12
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 TYR A 439
SER A 388
ILE A 385
GLU A 419
THR A 376
 None
 1.30A 5w8aA-1lrwA:
undetectable		 5w8aA-1lrwA:
17.31
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.
1n47 ISOLECTIN B4

(Vicia villosa) 		PF00139
(Lectin_legB) 		5 LEU A  87
TYR A 157
MET A 155
PHE A 153
GLU A 123
 None
None
None
None
MN  A 253 (-2.7A)
 1.42A 5w8aA-1n47A:
0.0		 5w8aA-1n47A:
21.09
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.
1olx 2-OXOISOVALERATE
DEHYDROGENASE BETA
SUBUNIT

(Homo sapiens) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 THR B  57
LEU B  60
ILE B 179
GLU B  96
THR B 131
 None
None
None
None
K  B 502 (-4.4A)
 1.49A 5w8aA-1olxB:
0.2		 5w8aA-1olxB:
18.90
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.
1r6u TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 LEU A 158
MET A 143
VAL A 146
ILE A 120
THR A 124
 None
 1.32A 5w8aA-1r6uA:
0.0		 5w8aA-1r6uA:
17.95
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.
1u0u DIHYDROPINOSYLVIN
SYNTHASE

(Pinus
sylvestris) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 TRP A 303
THR A 330
LEU A 327
SER A 279
THR A 384
 None
 1.22A 5w8aA-1u0uA:
0.0		 5w8aA-1u0uA:
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.
1vpk DNA POLYMERASE III,
BETA SUBUNIT

(Thermotoga
maritima) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 MET A 289
VAL A 307
ILE A 284
GLU A 336
THR A 253
 None
 1.43A 5w8aA-1vpkA:
0.0		 5w8aA-1vpkA:
19.28
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 TYR A 439
SER A 388
ILE A 385
GLU A 419
THR A 376
 None
 1.27A 5w8aA-1w6sA:
undetectable		 5w8aA-1w6sA:
19.00
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.
1z2o INOSITOL
1,3,4-TRISPHOSPHATE
5/6-KINASE

(Entamoeba
histolytica) 		PF05770
(Ins134_P3_kin) 		5 LEU X 124
VAL X 114
PHE X 163
ILE X 161
GLU X 118
 None
 1.42A 5w8aA-1z2oX:
undetectable		 5w8aA-1z2oX:
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.
2btj GREEN TO RED
PHOTOCONVERTIBLE
GPF-LIKE PROTEIN
EOSFP

(Lobophyllia
hemprichii) 		PF01353
(GFP) 		5 THR A  58
MET A 159
PHE A 173
ILE A 157
THR A 175
 None
IEY  A  64 ( 3.5A)
None
IEY  A  64 ( 4.8A)
None
 1.22A 5w8aA-2btjA:
undetectable		 5w8aA-2btjA:
20.33
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.
2btv PROTEIN (VP3 CORE
PROTEIN)

(Bluetongue
virus) 		PF01700
(Orbi_VP3) 		5 LEU A 239
SER A 601
ILE A 599
GLU A 594
THR A 295
 None
 1.46A 5w8aA-2btvA:
undetectable		 5w8aA-2btvA:
14.27
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.
2gdj DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51) 		5 LEU A  91
PHE A 313
SER A 118
ILE A 320
GLU A  86
 None
 1.40A 5w8aA-2gdjA:
undetectable		 5w8aA-2gdjA:
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.
2gw4 KAEDE
KAEDE

(Trachyphyllia
geoffroyi;
Trachyphyllia
geoffroyi) 		PF01353
(GFP)
PF01353
(GFP) 		5 THR A  58
MET B 159
PHE B 173
ILE B 157
THR B 175
 None
RC7  B  63 ( 3.5A)
None
RC7  B  63 ( 4.7A)
None
 1.25A 5w8aA-2gw4A:
undetectable		 5w8aA-2gw4A:
13.82
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.
2ia2 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 LEU A 249
MET A 150
VAL A 153
SER A 112
GLU A 257
 None
 1.47A 5w8aA-2ia2A:
undetectable		 5w8aA-2ia2A:
26.28
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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 349
MET A 405
VAL A 375
ILE A 425
THR A 360
 None
 1.40A 5w8aA-2ipiA:
undetectable		 5w8aA-2ipiA:
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.
2pfz PUTATIVE EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF03480
(DctP) 		5 MET A 137
VAL A 134
SER A 179
ILE A 125
THR A 202
 None
 1.32A 5w8aA-2pfzA:
undetectable		 5w8aA-2pfzA:
23.95
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.
2vzx GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		5 THR A  58
MET A 159
PHE A 173
ILE A 157
THR A 175
 None
CR8  A  64 ( 3.4A)
None
CR8  A  64 ( 4.8A)
None
 1.25A 5w8aA-2vzxA:
undetectable		 5w8aA-2vzxA:
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.
3a5r BENZALACETONE
SYNTHASE

(Rheum palmatum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 TRP A 293
THR A 320
LEU A 317
PHE A 366
THR A 374
 None
 1.29A 5w8aA-3a5rA:
undetectable		 5w8aA-3a5rA:
20.88
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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 LEU X 358
MET X  16
VAL X  19
ILE X  27
GLU X 377
 None
 1.20A 5w8aA-3b8aX:
undetectable		 5w8aA-3b8aX:
18.44
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.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		5 VAL A 170
SER A 191
ILE A 194
GLU A 183
THR A 127
 None
 1.25A 5w8aA-3fxbA:
undetectable		 5w8aA-3fxbA:
20.86
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 THR A 441
LEU A 442
SER A 357
ARG A 400
GLU A 437
 None
 1.34A 5w8aA-3i8bA:
undetectable		 5w8aA-3i8bA:
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.
3jui TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Homo sapiens) 		PF02020
(W2) 		5 THR A 560
LEU A 561
TYR A 635
PHE A 553
SER A 597
 None
 1.42A 5w8aA-3juiA:
undetectable		 5w8aA-3juiA:
21.78
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.
3jui TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Homo sapiens) 		PF02020
(W2) 		5 THR A 560
LEU A 561
TYR A 635
SER A 597
GLU A 556
 None
 1.28A 5w8aA-3juiA:
undetectable		 5w8aA-3juiA:
21.78
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.
3p2f AHL SYNTHASE

(Burkholderia
glumae) 		PF00765
(Autoind_synth) 		5 TYR A  47
VAL A  82
PHE A  83
SER A 103
ARG A 104
 None
 0.59A 5w8aA-3p2fA:
20.2		 5w8aA-3p2fA:
29.69
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 MET A 454
PHE A 445
SER A 404
ILE A 406
GLU A 443
 None
None
None
None
OAN  A2000 (-2.6A)
 1.05A 5w8aA-3sutA:
undetectable		 5w8aA-3sutA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 TYR A 400
MET A 454
PHE A 445
ILE A 406
GLU A 443
 None
None
None
None
OAN  A2000 (-2.6A)
 1.44A 5w8aA-3sutA:
undetectable		 5w8aA-3sutA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uel POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Rattus
norvegicus) 		PF05028
(PARG_cat) 		5 LEU A 630
MET A 621
VAL A 691
PHE A 693
THR A 768
 None
 1.25A 5w8aA-3uelA:
undetectable		 5w8aA-3uelA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w0f ENDONUCLEASE 8-LIKE
3

(Mus musculus) 		PF06831
(H2TH) 		5 THR A  79
LEU A  84
TYR A  74
ILE A 105
GLU A  12
 None
None
None
IOD  A 305 ( 4.3A)
None
 1.47A 5w8aA-3w0fA:
undetectable		 5w8aA-3w0fA:
20.70
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.
3w25 GLYCOSIDE HYDROLASE
FAMILY 10

(Thermoanaerobacterium
saccharolyticum) 		PF00331
(Glyco_hydro_10) 		5 LEU A 278
MET A 220
VAL A 249
SER A 236
ILE A 247
 None
 1.35A 5w8aA-3w25A:
undetectable		 5w8aA-3w25A:
18.37
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.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 MET A 114
VAL A 104
PHE A  51
GLU A 137
THR A  70
 None
 1.41A 5w8aA-4cotA:
undetectable		 5w8aA-4cotA:
17.27
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.
4crn ERF1 IN
RIBOSOME-BOUND
ERF1-ERF3-GDPNP
COMPLEX

(Saccharomyces
cerevisiae) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 THR X 305
LEU X 306
VAL X 319
ARG X 327
ILE X 370
 None
 1.33A 5w8aA-4crnX:
undetectable		 5w8aA-4crnX:
17.78
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.
4dgw PRE-MRNA-SPLICING
FACTOR PRP9
PRE-MRNA-SPLICING
FACTOR PRP21

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF12171
(zf-C2H2_jaz)
PF16837
(SF3A3)
PF16958
(PRP9_N)
PF01805
(Surp) 		5 LEU A 116
TYR B 103
PHE B 124
ILE B  96
GLU B 119
 None
 1.35A 5w8aA-4dgwA:
undetectable		 5w8aA-4dgwA:
16.42
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.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A 569
SER A 248
ILE A 246
GLU A 566
THR A 559
 None
 1.43A 5w8aA-4dpgA:
undetectable		 5w8aA-4dpgA:
18.42
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.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 362
VAL A 483
PHE A 479
SER A 177
THR A 185
 None
 1.24A 5w8aA-4h7uA:
undetectable		 5w8aA-4h7uA:
18.10
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		5 LEU A  58
VAL A  66
PHE A  70
ILE A  92
THR A  97
 None
 1.41A 5w8aA-4ifqA:
undetectable		 5w8aA-4ifqA:
12.60
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.
4oy4 CHIMERA PROTEIN OF
CALMODULIN, GPF-LIKE
PROTEIN EOSFP, AND
MYOSIN LIGHT CHAIN
KINASE

(Gallus gallus;
Rattus
norvegicus;
Lobophyllia
hemprichii) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 THR A 298
MET A 166
PHE A 180
ILE A 164
THR A 182
 None
CR8  A 303 ( 3.4A)
None
CR8  A 303 ( 4.7A)
None
 1.25A 5w8aA-4oy4A:
undetectable		 5w8aA-4oy4A:
19.62
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.
4wd0 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Paenarthrobacter
aurescens) 		PF00977
(His_biosynth) 		5 LEU A  79
MET A  56
VAL A  15
ILE A  17
GLU A  41
 None
 1.40A 5w8aA-4wd0A:
undetectable		 5w8aA-4wd0A:
23.37
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.
4xzc NUCLEOPROTEIN

(Nairobi sheep
disease
orthonairovirus) 		PF02477
(Nairo_nucleo) 		5 MET A 236
VAL A 239
ILE A 251
GLU A 204
THR A 254
 None
 1.39A 5w8aA-4xzcA:
undetectable		 5w8aA-4xzcA:
19.08
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.
4zas CALS13

(Micromonospora
echinospora) 		PF01041
(DegT_DnrJ_EryC1) 		5 THR A 329
LEU A 322
VAL A 312
SER A 382
ILE A 289
 None
 1.40A 5w8aA-4zasA:
undetectable		 5w8aA-4zasA:
20.63
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.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		5 LEU A 721
VAL A 680
SER A 724
ILE A 748
GLU A 745
 None
 1.49A 5w8aA-4zmhA:
undetectable		 5w8aA-4zmhA:
13.38
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.
5exc GREEN FLUORESCENT
PROTEIN
GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002;
Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP)
PF01353
(GFP) 		5 THR A  58
MET I 159
PHE I 173
ILE I 157
THR I 175
 None
RC7  I  64 ( 3.3A)
None
RC7  I  64 ( 4.5A)
None
 1.28A 5w8aA-5excA:
undetectable		 5w8aA-5excA:
13.49
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.
5f4b NAD(P)H
DEHYDROGENASE
(QUINONE)

(Brucella
abortus) 		PF03358
(FMN_red) 		5 MET A  87
VAL A  38
PHE A  90
GLU A  65
THR A  94
 None
None
None
None
FMN  A 201 (-4.4A)
 1.27A 5w8aA-5f4bA:
undetectable		 5w8aA-5f4bA:
23.35
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.
5fcy RED CAROTENOID
PROTEIN (RCP)

(Nostoc sp. PCC
7120) 		PF09150
(Carot_N) 		5 LEU A 105
TYR A  90
MET A 153
VAL A 150
ILE A  79
 BCR  A 201 ( 3.9A)
None
None
None
None
 1.41A 5w8aA-5fcyA:
undetectable		 5w8aA-5fcyA:
20.27
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ZETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 THR z 521
LEU z 101
ILE z 444
GLU z 123
THR z 440
 None
 1.30A 5w8aA-5gw5z:
undetectable		 5w8aA-5gw5z:
17.83
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.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 LEU A 734
VAL A 743
SER A 350
ILE A 348
THR A 345
 None
 1.40A 5w8aA-5mpmA:
undetectable		 5w8aA-5mpmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o5a PEREGRIN

(Homo sapiens) 		no annotation 5 LEU A 729
TYR A 687
MET A 678
PHE A 675
ILE A 700
 None
 1.43A 5w8aA-5o5aA:
undetectable		 5w8aA-5o5aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o7g ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
coagulans) 		no annotation 5 TRP A 176
MET A 225
VAL A 222
SER A 140
GLU A 172
 None
 1.47A 5w8aA-5o7gA:
1.1		 5w8aA-5o7gA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uc5 CHS2 CHALCONE
SYNTHASE

(Malus domestica) 		no annotation 5 TRP A 300
THR A 327
LEU A 324
PHE A 373
THR A 381
 None
 1.26A 5w8aA-5uc5A:
undetectable		 5w8aA-5uc5A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w8d AUTOINDUCER SYNTHASE

(Bradyrhizobium
japonicum) 		PF00765
(Autoind_synth) 		5 MET A  78
VAL A  82
SER A 102
ARG A  69
ILE A 138
 MTA  A 301 (-3.6A)
MTA  A 301 (-4.7A)
None
None
MTA  A 301 (-4.2A)
 1.41A 5w8aA-5w8dA:
40.3		 5w8aA-5w8dA:
99.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w8d AUTOINDUCER SYNTHASE

(Bradyrhizobium
japonicum) 		PF00765
(Autoind_synth) 		12 TRP A  34
THR A  36
LEU A  37
TYR A  48
MET A  78
VAL A  82
PHE A  83
SER A 102
ARG A 103
ILE A 138
GLU A 164
THR A 168
 MTA  A 301 (-3.8A)
MTA  A 301 (-3.6A)
MTA  A 301 ( 4.9A)
MTA  A 301 (-4.8A)
MTA  A 301 (-3.6A)
MTA  A 301 (-4.7A)
MTA  A 301 (-4.6A)
None
MTA  A 301 ( 3.0A)
MTA  A 301 (-4.2A)
None
MTA  A 301 ( 4.5A)
 0.37A 5w8aA-5w8dA:
40.3		 5w8aA-5w8dA:
99.55
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.
5x5h CYSTATHIONINE
BETA-LYASES/CYSTATHI
ONINE
GAMMA-SYNTHASES

(Corynebacterium
glutamicum) 		PF01053
(Cys_Met_Meta_PP) 		5 THR A 110
VAL A 177
ILE A 147
GLU A 150
THR A 130
 None
None
None
PLP  A 401 ( 3.8A)
None
 1.23A 5w8aA-5x5hA:
undetectable		 5w8aA-5x5hA:
23.10
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.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 5 LEU A 367
TYR A 547
MET A 541
ILE A 482
GLU A 290
 None
 1.45A 5w8aA-5ykbA:
undetectable		 5w8aA-5ykbA:
17.34
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.
6chd LYSINE--TRNA LIGASE

(Homo sapiens) 		no annotation 5 LEU A 569
SER A 248
ILE A 246
GLU A 566
THR A 559
 None
 1.35A 5w8aA-6chdA:
undetectable		 5w8aA-6chdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6co0 STYRYLPYRONE
SYNTHASE 1

(Piper
methysticum) 		no annotation 5 TRP A 301
THR A 328
LEU A 325
PHE A 374
THR A 382
 None
 1.22A 5w8aA-6co0A:
undetectable		 5w8aA-6co0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6co0 STYRYLPYRONE
SYNTHASE 1

(Piper
methysticum) 		no annotation 5 TRP A 301
THR A 328
LEU A 325
SER A 277
THR A 382
 None
 1.18A 5w8aA-6co0A:
undetectable		 5w8aA-6co0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g1k TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY C
MEMBER 4A

(Danio rerio) 		no annotation 5 THR A 152
LEU A 148
VAL A 112
ILE A  78
GLU A 107
 None
 1.41A 5w8aA-6g1kA:
undetectable		 5w8aA-6g1kA:
undetectable