SIMILAR PATTERNS OF AMINO ACIDS FOR 4OLT_A_GCSA302_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.
1e6z CHITINASE B

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		4 THR A  15
THR A  66
ASP A  63
TYR A  99
 None
 1.50A 4oltA-1e6zA:
0.0		 4oltA-1e6zA:
19.63
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.
1h7k CATALASE

(Proteus
mirabilis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ARG A 152
THR A 153
ASP A 150
TYR A 160
 None
 1.47A 4oltA-1h7kA:
0.0		 4oltA-1h7kA:
19.55
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 THR A  22
THR A  46
ASP A  43
TYR A 167
 None
 1.23A 4oltA-1j0aA:
0.0		 4oltA-1j0aA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		4 THR A 415
THR A  68
ASP A 416
TYR A 206
 None
 1.37A 4oltA-1ks8A:
0.0		 4oltA-1ks8A:
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.
1lyb CATHEPSIN D

(Homo sapiens) 		PF00026
(Asp) 		4 THR A  66
THR A  91
ASP A  90
TYR A  59
 None
 1.25A 4oltA-1lybA:
undetectable		 4oltA-1lybA:
19.26
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.
1ogq POLYGALACTURONASE
INHIBITING PROTEIN

(Phaseolus
vulgaris) 		PF08263
(LRRNT_2) 		4 THR A 155
THR A 180
ASP A 157
TYR A 134
 None
 1.46A 4oltA-1ogqA:
0.0		 4oltA-1ogqA:
20.92
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.
1ohf NUDAURELIA CAPENSIS
OMEGA VIRUS CAPSID
PROTEIN

(Nudaurelia
capensis omega
virus) 		PF03566
(Peptidase_A21) 		4 THR A 355
THR A 356
ASP A 353
TYR A 351
 None
 1.45A 4oltA-1ohfA:
0.0		 4oltA-1ohfA:
16.69
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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		4 ARG A 365
THR A 364
ASP A 367
TYR A 443
 None
 1.44A 4oltA-1oltA:
0.0		 4oltA-1oltA:
22.83
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.
1rms RIBONUCLEASE MS

(Aspergillus
phoenicis) 		PF00545
(Ribonuclease) 		4 THR A  92
THR A  90
ASP A  75
TYR A  12
 None
 1.37A 4oltA-1rmsA:
0.0		 4oltA-1rmsA:
18.40
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 THR A 167
THR A 170
ASP A 174
TYR A 266
 None
 1.47A 4oltA-1tqyA:
undetectable		 4oltA-1tqyA:
23.34
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.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		4 THR A 346
THR A 293
ASP A 290
TYR A 285
 None
 0.97A 4oltA-1ur1A:
undetectable		 4oltA-1ur1A:
20.34
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.
1ux4 BNI1 PROTEIN

(Saccharomyces
cerevisiae) 		PF02181
(FH2) 		4 THR A1603
THR A1604
ASP A1602
TYR A1612
 None
 1.37A 4oltA-1ux4A:
undetectable		 4oltA-1ux4A:
21.79
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.
1wk9 VALYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1) 		4 THR A 219
THR A 272
ASP A 223
TYR A 202
 TSB  A 999 (-3.8A)
TSB  A 999 (-2.5A)
None
None
 1.19A 4oltA-1wk9A:
undetectable		 4oltA-1wk9A:
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		4 ARG A  90
THR A  96
THR A  92
ASP A  93
 NLG  A1302 (-4.3A)
None
None
None
 1.31A 4oltA-2bufA:
undetectable		 4oltA-2bufA:
21.97
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.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 THR A 392
THR A 225
ASP A 209
TYR A 321
 None
 1.42A 4oltA-2ph5A:
undetectable		 4oltA-2ph5A:
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		4 THR A  72
THR A  98
ASP A  97
TYR A  65
 None
 1.26A 4oltA-2qzwA:
undetectable		 4oltA-2qzwA:
23.32
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		4 THR A  72
THR A  98
ASP A  97
TYR A  65
 None
 1.37A 4oltA-2qzxA:
undetectable		 4oltA-2qzxA:
21.84
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.
2wmh FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		4 THR A 230
THR A 219
ASP A 231
TYR A 374
 None
 1.35A 4oltA-2wmhA:
undetectable		 4oltA-2wmhA:
15.81
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.
3ago RIBONUCLEASE U2

(Ustilago
sphaerogena) 		PF00545
(Ribonuclease) 		4 THR A 102
THR A 100
ASP A  84
TYR A  14
 None
 1.45A 4oltA-3agoA:
undetectable		 4oltA-3agoA:
19.52
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.
3bde MLL5499 PROTEIN

(Mesorhizobium
japonicum) 		PF07876
(Dabb) 		4 ARG A   3
THR A   5
ASP A  93
TYR A  65
 None
EDO  A 109 (-3.1A)
None
EDO  A 104 (-3.3A)
 1.49A 4oltA-3bdeA:
undetectable		 4oltA-3bdeA:
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 ARG A 285
THR A 262
THR A 282
ASP A 264
 None
 1.37A 4oltA-3griA:
undetectable		 4oltA-3griA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kh5 PROTEIN MJ1225

(Methanocaldococcus
jannaschii) 		PF00571
(CBS) 		4 ARG A 181
THR A 195
THR A 197
ASP A 198
 ADP  A 284 ( 3.5A)
AMP  A 282 (-3.1A)
AMP  A 282 (-3.9A)
AMP  A 282 (-3.1A)
 1.49A 4oltA-3kh5A:
undetectable		 4oltA-3kh5A:
19.14
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.
3pf2 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		4 THR A 391
THR A 393
ASP A 389
TYR A 478
 None
 1.24A 4oltA-3pf2A:
undetectable		 4oltA-3pf2A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 THR A1150
THR A1196
ASP A1194
TYR A1446
 None
 1.02A 4oltA-3topA:
undetectable		 4oltA-3topA:
15.51
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.
3zw6 RIBULOSE
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E ACTIVASE 1,
CHLOROPLASTIC

(Nicotiana
tabacum) 		PF00004
(AAA) 		4 ARG A 266
THR A 267
ASP A 268
TYR A 298
 None
 1.46A 4oltA-3zw6A:
undetectable		 4oltA-3zw6A:
21.73
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		4 THR A 767
THR A 769
ASP A 765
TYR A 258
 None
None
GOL  A1798 (-4.9A)
GOL  A1798 (-4.6A)
 1.19A 4oltA-4bq4A:
undetectable		 4oltA-4bq4A:
15.45
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.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 124
THR A 149
THR A 152
ASP A 157
 None
 1.16A 4oltA-4bruA:
undetectable		 4oltA-4bruA:
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.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		4 THR A 505
THR A 506
ASP A 503
TYR A 538
 None
 1.25A 4oltA-4m00A:
undetectable		 4oltA-4m00A:
17.98
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.
4m02 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		4 THR A 505
THR A 506
ASP A 503
TYR A 538
 None
 1.32A 4oltA-4m02A:
undetectable		 4oltA-4m02A:
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.
4m8r HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF16023
(DUF4784) 		4 ARG A 101
THR A 204
ASP A 201
TYR A 252
 None
None
None
EDO  A 505 (-3.3A)
 1.38A 4oltA-4m8rA:
undetectable		 4oltA-4m8rA:
21.50
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.
4m8r HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF16023
(DUF4784) 		4 ARG A 101
THR A 204
ASP A 201
TYR A 252
 None
None
None
EDO  A 505 (-3.3A)
 1.44A 4oltA-4m8rA:
undetectable		 4oltA-4m8rA:
21.50
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.
4mjd KETOSTEROID
ISOMERASE FOLD
PROTEIN HMUK_0747

(Halomicrobium
mukohataei) 		PF12680
(SnoaL_2) 		4 ARG A  34
THR A 105
ASP A  91
TYR A  10
 None
 1.21A 4oltA-4mjdA:
undetectable		 4oltA-4mjdA:
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.
4mjd KETOSTEROID
ISOMERASE FOLD
PROTEIN HMUK_0747

(Halomicrobium
mukohataei) 		PF12680
(SnoaL_2) 		4 ARG A  34
THR A 105
ASP A  91
TYR A  11
 None
 1.26A 4oltA-4mjdA:
undetectable		 4oltA-4mjdA:
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.
4mjd KETOSTEROID
ISOMERASE FOLD
PROTEIN HMUK_0747

(Halomicrobium
mukohataei) 		PF12680
(SnoaL_2) 		4 ARG A  34
THR A 105
ASP A  91
TYR A  11
 None
 1.27A 4oltA-4mjdA:
undetectable		 4oltA-4mjdA:
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		4 THR A 165
THR A 151
ASP A 167
TYR A 416
 None
 1.13A 4oltA-4n03A:
1.0		 4oltA-4n03A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nuz ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F2

(Streptococcus
pyogenes) 		no annotation 4 ARG A 608
THR A 605
ASP A 600
TYR A 685
 None
 1.33A 4oltA-4nuzA:
undetectable		 4oltA-4nuzA:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oq1 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 THR A 269
THR A 271
ASP A 266
TYR A 329
 None
 1.22A 4oltA-4oq1A:
undetectable		 4oltA-4oq1A:
22.38
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.
4pxg TYPE-2 RESTRICTION
ENZYME SAU3AI

(Staphylococcus
aureus) 		PF02976
(MutH) 		4 ARG A 415
THR A 410
ASP A 412
TYR A 464
 None
 1.34A 4oltA-4pxgA:
undetectable		 4oltA-4pxgA:
18.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qwp CHITOSANASE

(Pseudomonas sp.
A-01) 		PF01374
(Glyco_hydro_46) 		5 ARG A  45
THR A  55
THR A  58
ASP A  60
TYR A 125
 GCS  A 302 (-4.0A)
GCS  A 302 ( 4.2A)
GCS  A 302 ( 3.4A)
GCS  A 302 (-3.0A)
None
 0.14A 4oltA-4qwpA:
41.9		 4oltA-4qwpA:
99.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 ARG A 125
THR A 123
THR A  95
ASP A  94
 None
 1.05A 4oltA-4u63A:
undetectable		 4oltA-4u63A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 THR A 219
THR A 217
ASP A 250
TYR A  85
 None
 1.44A 4oltA-4v1yA:
undetectable		 4oltA-4v1yA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		4 THR A1040
THR A1082
ASP A1042
TYR A 511
 None
 1.40A 4oltA-5a42A:
undetectable		 4oltA-5a42A:
10.37
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ARG B 163
THR B 171
THR B 167
ASP B 169
 None
 1.31A 4oltA-5a8rB:
undetectable		 4oltA-5a8rB:
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 ARG A 330
THR A 329
THR A 327
ASP A 328
 None
 1.39A 4oltA-5az4A:
undetectable		 4oltA-5az4A:
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.
5b6t GLYCOSYL HYDROLASE
FAMILY 62 PROTEIN

(Coprinopsis
cinerea) 		PF03664
(Glyco_hydro_62) 		4 ARG A 203
THR A 189
THR A 200
TYR A 180
 None
 1.32A 4oltA-5b6tA:
undetectable		 4oltA-5b6tA:
24.37
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		4 THR A 230
THR A 207
ASP A 260
TYR A 329
 None
 1.36A 4oltA-5c3uA:
undetectable		 4oltA-5c3uA:
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.
5c59 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		PF12704
(MacB_PCD) 		4 ARG A 179
THR A  15
THR A 177
ASP A  17
 None
 1.41A 4oltA-5c59A:
undetectable		 4oltA-5c59A:
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.
5c7q NUDF PROTEIN

(Bdellovibrio
bacteriovorus) 		PF00293
(NUDIX) 		4 THR A  11
THR A   8
ASP A  25
TYR A  39
 None
 1.14A 4oltA-5c7qA:
undetectable		 4oltA-5c7qA:
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.
5gai PORTAL PROTEIN

(Salmonella
virus P22) 		PF16510
(P22_portal) 		4 THR A 100
THR A 138
ASP A 101
TYR A 447
 None
 1.05A 4oltA-5gaiA:
undetectable		 4oltA-5gaiA:
15.52
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 ARG Y 266
THR Y 158
THR Y 183
ASP Y 160
 None
 1.05A 4oltA-5gaiY:
undetectable		 4oltA-5gaiY:
19.24
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.
5gyq SPIKE GLYCOPROTEIN

(Rousettus bat
coronavirus
HKU9) 		PF09408
(Spike_rec_bind) 		4 THR A 157
THR A  67
ASP A  69
TYR A  94
 None
 1.42A 4oltA-5gyqA:
undetectable		 4oltA-5gyqA:
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		4 THR A  66
THR A  93
ASP A  92
TYR A  59
 None
 1.19A 4oltA-5hctA:
undetectable		 4oltA-5hctA:
20.97
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.
5miy E3 UBIQUITIN LIGASE
RAVN

(Legionella
pneumophila) 		no annotation 4 THR A  48
THR A  49
ASP A  46
TYR A  22
 None
 1.13A 4oltA-5miyA:
undetectable		 4oltA-5miyA:
16.05
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.
5mm2 CAPSID PROTEIN VP4A
CAPSID PROTEIN VP4B
CAPSID PROTEIN VP4C

(Nora virus) 		no annotation 4 ARG A 279
THR C 153
ASP A 278
TYR B  58
 None
 1.44A 4oltA-5mm2A:
undetectable		 4oltA-5mm2A:
18.18
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.
5n2b PUTATIVE FIMBRIAL
SUBUNIT TYPE 1

(Burkholderia
pseudomallei) 		no annotation 4 THR A 125
THR A 127
ASP A 123
TYR A 138
 None
None
EDO  A 202 (-4.2A)
EDO  A 202 (-3.3A)
 1.20A 4oltA-5n2bA:
undetectable		 4oltA-5n2bA:
14.88
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		4 THR A  66
THR A  93
ASP A  92
TYR A  59
 None
 1.20A 4oltA-5p60A:
undetectable		 4oltA-5p60A:
23.92
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.
5u5i HTPA REDUCTASE

(Selaginella
moellendorffii) 		no annotation 4 THR A  90
THR A 113
ASP A  88
TYR A 102
 NAD  A 301 (-4.0A)
NAD  A 301 (-4.2A)
None
None
 1.22A 4oltA-5u5iA:
undetectable		 4oltA-5u5iA:
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.
5ua0 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 THR A  98
THR A 121
ASP A  96
TYR A 110
 None
 1.21A 4oltA-5ua0A:
undetectable		 4oltA-5ua0A:
13.89
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.
5ud7 TRIGGERING RECEPTOR
EXPRESSED ON MYELOID
CELLS 2

(Homo sapiens) 		no annotation 4 ARG A  47
THR A  66
ASP A  86
TYR A  38
 None
 1.46A 4oltA-5ud7A:
undetectable		 4oltA-5ud7A:
12.10
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 4 THR A  66
THR A  91
ASP A  90
TYR A  59
 None
 1.21A 4oltA-5ux4A:
undetectable		 4oltA-5ux4A:
15.70
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.
5vqd BETA-GLUCOSIDE
PHOSPHORYLASE BGLX

(unidentified) 		no annotation 4 THR A 164
THR A 160
ASP A 150
TYR A 223
 None
 1.37A 4oltA-5vqdA:
undetectable		 4oltA-5vqdA:
15.93
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.
6ave ACID-SENSING ION
CHANNEL 1

(Gallus gallus) 		no annotation 4 ARG A 325
THR A 315
ASP A 312
TYR A 301
 None
 1.43A 4oltA-6aveA:
undetectable		 4oltA-6aveA:
16.73
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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 4 ARG A2514
THR A2145
THR A2143
ASP A2144
 None
 1.46A 4oltA-6b3rA:
undetectable		 4oltA-6b3rA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6brk DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Mus musculus) 		no annotation 4 ARG A 252
THR A 430
ASP A 431
TYR A 497
 None
 1.15A 4oltA-6brkA:
0.6		 4oltA-6brkA:
16.94
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.
6en3 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE
F2,MULTIFUNCTIONAL-A
UTOPROCESSING
REPEATS-IN-TOXIN

(Streptococcus
pyogenes;
Vibrio cholerae) 		no annotation 4 ARG A 608
THR A 605
ASP A 600
TYR A 685
 None
 1.33A 4oltA-6en3A:
undetectable		 4oltA-6en3A:
15.29