SIMILAR PATTERNS OF AMINO ACIDS FOR 5LF3_Y_BO2Y305

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 ALA B  98
THR B  97
GLY B 104
GLY B 103
ALA B 102
 None
 1.03A 5lf3Y-1a6dB:
undetectable
5lf3Z-1a6dB:
undetectable		 5lf3Y-1a6dB:
16.35
5lf3Z-1a6dB:
17.92
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.
1aur CARBOXYLESTERASE

(Pseudomonas
fluorescens) 		PF02230
(Abhydrolase_2) 		5 THR A 123
ALA A 124
GLY A 116
GLY A 117
ALA A 118
 None
 0.98A 5lf3Y-1aurA:
undetectable
5lf3Z-1aurA:
undetectable		 5lf3Y-1aurA:
21.93
5lf3Z-1aurA:
22.36
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.
1i8a ENDO-1,4-BETA-XYLANA
SE A

(Thermotoga
maritima) 		PF06452
(CBM9_1) 		5 ALA A  39
THR A  40
ALA A  41
GLY A 125
GLY A 126
 None
 0.74A 5lf3Y-1i8aA:
undetectable
5lf3Z-1i8aA:
undetectable		 5lf3Y-1i8aA:
21.92
5lf3Z-1i8aA:
19.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
ALA H  20
THR H  21
LYS H  33
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.34A 5lf3Y-1j2qH:
30.1
5lf3Z-1j2qH:
26.5		 5lf3Y-1j2qH:
33.01
5lf3Z-1j2qH:
29.91
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.
1m4y ATP-DEPENDENT
PROTEASE HSLV

(Thermotoga
maritima) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  33
GLY A  48
TYR A 161
 None
 0.93A 5lf3Y-1m4yA:
9.4
5lf3Z-1m4yA:
18.3		 5lf3Y-1m4yA:
23.56
5lf3Z-1m4yA:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 ALA A 247
GLY A  71
GLY A  70
ALA A  67
ASP A 213
 None
 1.03A 5lf3Y-1mhsA:
undetectable
5lf3Z-1mhsA:
undetectable		 5lf3Y-1mhsA:
12.50
5lf3Z-1mhsA:
13.28
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.
1pzs SUPEROXIDE DISMUTASE
[CU-ZN]

(Mycobacterium
tuberculosis) 		PF00080
(Sod_Cu) 		5 ALA A 122
THR A 121
GLY A  74
GLY A  73
TYR A  76
 None
 0.84A 5lf3Y-1pzsA:
undetectable
5lf3Z-1pzsA:
undetectable		 5lf3Y-1pzsA:
22.27
5lf3Z-1pzsA:
22.18
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H   1
ALA H  20
THR H  21
LYS H  33
GLY H  47
 None
 0.83A 5lf3Y-1q5qH:
26.8
5lf3Z-1q5qH:
23.4		 5lf3Y-1q5qH:
29.57
5lf3Z-1q5qH:
24.41
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
ALA H  20
THR H  21
LYS H  33
GLY H  47
ALA H  49
 None
 0.39A 5lf3Y-1q5qH:
26.8
5lf3Z-1q5qH:
23.4		 5lf3Y-1q5qH:
29.57
5lf3Z-1q5qH:
24.41
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.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		5 ALA A 249
THR A 248
ALA A 276
GLY A 280
GLY A 281
 None
 1.01A 5lf3Y-1qzzA:
undetectable
5lf3Z-1qzzA:
undetectable		 5lf3Y-1qzzA:
21.45
5lf3Z-1qzzA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rhy IMIDAZOLE GLYCEROL
PHOSPHATE
DEHYDRATASE

(Cryptococcus
neoformans) 		PF00475
(IGPD) 		5 ALA A  49
THR A  48
GLY A  55
GLY A  54
ALA A 178
 None
 1.04A 5lf3Y-1rhyA:
undetectable
5lf3Z-1rhyA:
undetectable		 5lf3Y-1rhyA:
21.66
5lf3Z-1rhyA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t35 HYPOTHETICAL PROTEIN
YVDD, PUTATIVE
LYSINE DECARBOXYLASE

(Bacillus
subtilis) 		PF03641
(Lysine_decarbox) 		5 ALA A  52
ALA A  50
GLY A  57
GLY A  58
ALA A  30
 None
 1.02A 5lf3Y-1t35A:
undetectable
5lf3Z-1t35A:
undetectable		 5lf3Y-1t35A:
21.60
5lf3Z-1t35A:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 ALA A 111
THR A 112
ALA A 113
GLY A 105
GLY A 106
 None
 0.94A 5lf3Y-2d0dA:
undetectable
5lf3Z-2d0dA:
undetectable		 5lf3Y-2d0dA:
19.73
5lf3Z-2d0dA:
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
THR H 321
LYS H 333
GLY H 347
ALA H 349
 None
 0.45A 5lf3Y-2fhgH:
25.9
5lf3Z-2fhgH:
23.1		 5lf3Y-2fhgH:
29.34
5lf3Z-2fhgH:
23.08
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.
2fuv PHOSPHOGLUCOMUTASE

(Salmonella
enterica) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ALA A 328
ALA A 326
GLY A 388
GLY A 389
ALA A 395
 None
 1.03A 5lf3Y-2fuvA:
undetectable
5lf3Z-2fuvA:
undetectable		 5lf3Y-2fuvA:
18.97
5lf3Z-2fuvA:
19.71
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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		5 THR A  83
ALA A  82
GLY A  90
GLY A  89
ALA A  88
 None
 0.92A 5lf3Y-2fvmA:
undetectable
5lf3Z-2fvmA:
undetectable		 5lf3Y-2fvmA:
18.65
5lf3Z-2fvmA:
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.
2h9f HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF04303
(PrpF) 		5 ALA A 328
ALA A 346
GLY A 341
GLY A 340
ALA A 339
 None
GOL  A 404 (-4.4A)
None
None
None
 0.99A 5lf3Y-2h9fA:
undetectable
5lf3Z-2h9fA:
undetectable		 5lf3Y-2h9fA:
20.60
5lf3Z-2h9fA:
21.41
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.
2iyf OLEANDOMYCIN
GLYCOSYLTRANSFERASE

(Streptomyces
antibioticus) 		PF00201
(UDPGT) 		5 THR A 304
ALA A 241
GLY A 310
GLY A 309
ALA A 308
 None
UDP  A1401 (-4.3A)
UDP  A1401 (-3.6A)
UDP  A1401 (-3.5A)
UDP  A1401 (-4.3A)
 0.98A 5lf3Y-2iyfA:
undetectable
5lf3Z-2iyfA:
undetectable		 5lf3Y-2iyfA:
20.77
5lf3Z-2iyfA:
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.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 THR A 414
ALA A 434
ALA A 365
GLY A 417
GLY A 418
 None
 0.87A 5lf3Y-2olsA:
undetectable
5lf3Z-2olsA:
undetectable		 5lf3Y-2olsA:
14.85
5lf3Z-2olsA:
14.32
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.
2p5u UDP-GLUCOSE
4-EPIMERASE

(Thermus
thermophilus) 		PF01370
(Epimerase) 		5 ALA A  74
THR A   6
GLY A  97
GLY A  96
ASP A  51
 NAD  A1118 (-3.5A)
None
None
None
NAD  A1118 (-3.0A)
 0.98A 5lf3Y-2p5uA:
undetectable
5lf3Z-2p5uA:
undetectable		 5lf3Y-2p5uA:
24.58
5lf3Z-2p5uA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ALA A 294
ALA A 281
GLY A 289
GLY A 290
ASP A 254
 None
EDO  A 331 ( 3.7A)
None
None
None
 0.80A 5lf3Y-2rbcA:
3.1
5lf3Z-2rbcA:
undetectable		 5lf3Y-2rbcA:
18.60
5lf3Z-2rbcA:
24.00
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 THR A 183
ALA A 203
ALA A   9
GLY A 186
GLY A 187
 None
 0.95A 5lf3Y-2wqdA:
undetectable
5lf3Z-2wqdA:
undetectable		 5lf3Y-2wqdA:
15.93
5lf3Z-2wqdA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 5 ALA A 671
GLY A  67
GLY A  68
ALA A  71
TYR A 654
 None
FAD  A 801 (-3.4A)
None
None
None
 1.01A 5lf3Y-2yr5A:
undetectable
5lf3Z-2yr5A:
undetectable		 5lf3Y-2yr5A:
14.72
5lf3Z-2yr5A:
14.49
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.
2zu0 PROTEIN SUFD

(Escherichia
coli) 		PF01458
(UPF0051) 		5 ALA A 239
THR A 240
ALA A 241
GLY A 180
ALA A 208
 None
 0.96A 5lf3Y-2zu0A:
undetectable
5lf3Z-2zu0A:
undetectable		 5lf3Y-2zu0A:
16.83
5lf3Z-2zu0A:
19.36
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.
3a8u OMEGA-AMINO
ACID--PYRUVATE
AMINOTRANSFERASE

(Pseudomonas
putida) 		PF00202
(Aminotran_3) 		5 ALA X 341
THR X 291
ALA X 294
GLY X  63
ALA X  64
 None
 1.04A 5lf3Y-3a8uX:
undetectable
5lf3Z-3a8uX:
undetectable		 5lf3Y-3a8uX:
18.22
5lf3Z-3a8uX:
20.84
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.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		5 ALA A 117
THR A 118
ALA A 119
GLY A  54
GLY A  84
 None
 0.89A 5lf3Y-3aarA:
undetectable
5lf3Z-3aarA:
undetectable		 5lf3Y-3aarA:
21.07
5lf3Z-3aarA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 ALA A 653
GLY A 833
GLY A 832
ALA A 831
ASP A 792
 None
 1.03A 5lf3Y-3c10A:
undetectable
5lf3Z-3c10A:
undetectable		 5lf3Y-3c10A:
20.75
5lf3Z-3c10A:
19.29
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.
3c5w PP2A-SPECIFIC
METHYLESTERASE PME-1

(Homo sapiens) 		PF12697
(Abhydrolase_6) 		5 THR P 165
ALA P 166
GLY P 158
GLY P 159
ALA P 160
 None
 0.88A 5lf3Y-3c5wP:
undetectable
5lf3Z-3c5wP:
undetectable		 5lf3Y-3c5wP:
23.70
5lf3Z-3c5wP:
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.
3cn7 CARBOXYLESTERASE

(Pseudomonas
aeruginosa) 		PF02230
(Abhydrolase_2) 		5 THR A 122
ALA A 123
GLY A 115
GLY A 116
ALA A 117
 None
 1.02A 5lf3Y-3cn7A:
undetectable
5lf3Z-3cn7A:
undetectable		 5lf3Y-3cn7A:
24.14
5lf3Z-3cn7A:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		5 ALA A 320
THR A 321
ALA A 322
GLY A 261
ALA A 263
 None
 0.90A 5lf3Y-3h4xA:
undetectable
5lf3Z-3h4xA:
undetectable		 5lf3Y-3h4xA:
21.07
5lf3Z-3h4xA:
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.
3jwe MGLL PROTEIN

(Homo sapiens) 		PF12146
(Hydrolase_4) 		5 THR A 141
ALA A 142
GLY A 134
GLY A 135
ALA A 136
 None
 0.91A 5lf3Y-3jweA:
undetectable
5lf3Z-3jweA:
undetectable		 5lf3Y-3jweA:
20.31
5lf3Z-3jweA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3krt CROTONYL COA
REDUCTASE

(Streptomyces
coelicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 246
ALA A 245
GLY A 253
GLY A 252
ALA A 251
 None
 1.01A 5lf3Y-3krtA:
undetectable
5lf3Z-3krtA:
undetectable		 5lf3Y-3krtA:
17.69
5lf3Z-3krtA:
20.81
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
THR N  21
LYS N  33
GLY N  47
ALA N  49
 None
 0.63A 5lf3Y-3mg6N:
29.8
5lf3Z-3mg6N:
26.8		 5lf3Y-3mg6N:
27.23
5lf3Z-3mg6N:
23.94
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.
3oth CALG1

(Micromonospora
echinospora) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		5 ALA A  23
THR A  22
ALA A  21
GLY A  28
ALA A  27
 None
 1.03A 5lf3Y-3othA:
undetectable
5lf3Z-3othA:
undetectable		 5lf3Y-3othA:
19.42
5lf3Z-3othA:
18.36
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.
3p8l GERANYLTRANSTRANSFER
ASE

(Enterococcus
faecalis) 		PF00348
(polyprenyl_synt) 		5 THR A 203
ALA A 206
GLY A 189
GLY A 188
ALA A 187
 None
 1.03A 5lf3Y-3p8lA:
undetectable
5lf3Z-3p8lA:
undetectable		 5lf3Y-3p8lA:
21.50
5lf3Z-3p8lA:
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.
3qoy 50S RIBOSOMAL
PROTEIN L1

(Aquifex
aeolicus) 		PF00687
(Ribosomal_L1) 		5 ALA A 120
THR A 121
GLY A  99
GLY A 100
TYR A  86
 None
 0.94A 5lf3Y-3qoyA:
3.3
5lf3Z-3qoyA:
undetectable		 5lf3Y-3qoyA:
20.08
5lf3Z-3qoyA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qsl PUTATIVE EXPORTED
PROTEIN

(Bordetella
bronchiseptica) 		PF13379
(NMT1_2) 		5 THR A 150
ALA A  77
GLY A 174
ALA A 175
ASP A  70
 CIT  A 347 (-3.2A)
None
None
None
None
 0.90A 5lf3Y-3qslA:
undetectable
5lf3Z-3qslA:
undetectable		 5lf3Y-3qslA:
20.00
5lf3Z-3qslA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 ALA A 192
ALA A 188
GLY A 132
ALA A 128
TYR A 431
 None
 0.94A 5lf3Y-3rhaA:
undetectable
5lf3Z-3rhaA:
undetectable		 5lf3Y-3rhaA:
19.13
5lf3Z-3rhaA:
19.16
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.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		5 ALA A 191
THR A 190
ALA A 145
GLY A 233
ALA A 229
 None
None
None
SO4  A 543 (-4.6A)
None
 1.04A 5lf3Y-3sqlA:
undetectable
5lf3Z-3sqlA:
undetectable		 5lf3Y-3sqlA:
15.88
5lf3Z-3sqlA:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uf0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Beutenbergia
cavernae) 		PF13561
(adh_short_C2) 		5 ALA A  59
ALA A  26
GLY A  56
GLY A  55
ALA A  53
 None
 1.03A 5lf3Y-3uf0A:
undetectable
5lf3Z-3uf0A:
undetectable		 5lf3Y-3uf0A:
26.12
5lf3Z-3uf0A:
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
ALA H  20
THR H  21
LYS H  33
GLY H  47
ALA H  49
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
 0.53A 5lf3Y-3unfH:
31.8
5lf3Z-3unfH:
27.0		 5lf3Y-3unfH:
26.52
5lf3Z-3unfH:
26.25
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H 193
THR H 160
ALA H 161
GLY H 171
GLY H 170
ASP H 166
 None
 1.47A 5lf3Y-3unfH:
31.8
5lf3Z-3unfH:
27.0		 5lf3Y-3unfH:
26.52
5lf3Z-3unfH:
26.25
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.
3w94 ENTEROPEPTIDASE-1

(Oryzias latipes) 		PF00089
(Trypsin) 		5 ALA A1013
ALA A1011
GLY A 981
GLY A 980
ALA A 834
 None
 0.93A 5lf3Y-3w94A:
undetectable
5lf3Z-3w94A:
undetectable		 5lf3Y-3w94A:
22.22
5lf3Z-3w94A:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ALA A 695
GLY A 718
GLY A 717
ALA A 714
ASP A 688
 None
 0.92A 5lf3Y-3wfaA:
undetectable
5lf3Z-3wfaA:
undetectable		 5lf3Y-3wfaA:
14.16
5lf3Z-3wfaA:
15.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR L   1
ALA L  20
ALA L  22
LYS L  33
GLY L  47
GLY L  48
ALA L  49
TYR L 170
 None
 0.76A 5lf3Y-3wxrL:
35.1
5lf3Z-3wxrL:
24.1		 5lf3Y-3wxrL:
65.38
5lf3Z-3wxrL:
24.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		7 THR L   1
ALA L  20
THR L  21
ALA L  22
LYS L  33
ALA L  49
TYR L 170
 None
 0.50A 5lf3Y-3wxrL:
35.1
5lf3Z-3wxrL:
24.1		 5lf3Y-3wxrL:
65.38
5lf3Z-3wxrL:
24.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR L   1
ALA L  20
THR L  21
LYS L  33
GLY L  47
TYR L 170
 None
 0.90A 5lf3Y-3wxrL:
35.1
5lf3Z-3wxrL:
24.1		 5lf3Y-3wxrL:
65.38
5lf3Z-3wxrL:
24.33
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.
4b98 BETA-ALANINE--PYRUVA
TE TRANSAMINASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		5 ALA A 341
THR A 291
ALA A 294
GLY A  64
ALA A  65
 None
 1.04A 5lf3Y-4b98A:
undetectable
5lf3Z-4b98A:
undetectable		 5lf3Y-4b98A:
16.19
5lf3Z-4b98A:
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 THR B3212
ALA B3213
GLY B3083
GLY B3084
ALA B3085
 None
 0.98A 5lf3Y-4bedB:
undetectable
5lf3Z-4bedB:
undetectable		 5lf3Y-4bedB:
7.45
5lf3Z-4bedB:
9.18
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ALA A1490
THR A1489
GLY A1496
GLY A1495
ALA A1494
 None
 0.96A 5lf3Y-4c6oA:
undetectable
5lf3Z-4c6oA:
undetectable		 5lf3Y-4c6oA:
18.95
5lf3Z-4c6oA:
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.
4dje CORRINOID/IRON-SULFU
R PROTEIN SMALL
SUBUNIT

(Moorella
thermoacetica) 		PF03599
(CdhD) 		5 ALA D 290
THR D 289
ALA D 288
GLY D 295
ALA D 294
 None
 0.99A 5lf3Y-4djeD:
undetectable
5lf3Z-4djeD:
undetectable		 5lf3Y-4djeD:
18.84
5lf3Z-4djeD:
21.71
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 ALA A  64
ALA A 274
GLY A  58
GLY A  59
ALA A  60
 None
None
M7B  A 502 (-3.4A)
M7B  A 502 (-3.6A)
None
 1.00A 5lf3Y-4e84A:
undetectable
5lf3Z-4e84A:
undetectable		 5lf3Y-4e84A:
22.13
5lf3Z-4e84A:
20.79
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.
4g1u HEMIN TRANSPORT
SYSTEM PERMEASE
PROTEIN HMUU

(Yersinia pestis) 		PF01032
(FecCD) 		5 THR A 293
ALA A 294
GLY A 286
GLY A 287
ALA A 288
 None
 0.99A 5lf3Y-4g1uA:
undetectable
5lf3Z-4g1uA:
undetectable		 5lf3Y-4g1uA:
20.56
5lf3Z-4g1uA:
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		7 THR A   1
ALA A  20
THR A  21
LYS A  33
GLY A  48
GLY A  49
TYR A 161
 None
 0.70A 5lf3Y-4g4eA:
21.7
5lf3Z-4g4eA:
18.8		 5lf3Y-4g4eA:
26.42
5lf3Z-4g4eA:
24.77
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		5 ALA L 174
ALA L 205
GLY L 181
ALA L 178
TYR L 124
 None
 1.03A 5lf3Y-4heaL:
undetectable
5lf3Z-4heaL:
undetectable		 5lf3Y-4heaL:
15.53
5lf3Z-4heaL:
16.97
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		5 ALA A 367
ALA A 365
GLY A 379
GLY A 300
ALA A 301
 None
 0.89A 5lf3Y-4hvlA:
undetectable
5lf3Z-4hvlA:
undetectable		 5lf3Y-4hvlA:
21.59
5lf3Z-4hvlA:
21.48
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 THR A 283
ALA A 282
GLY A 196
GLY A 185
ALA A 184
 None
 0.90A 5lf3Y-4iheA:
undetectable
5lf3Z-4iheA:
undetectable		 5lf3Y-4iheA:
19.95
5lf3Z-4iheA:
18.41
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.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A  52
ALA A  51
GLY A 275
GLY A 276
ALA A 271
 None
 0.65A 5lf3Y-4jhmA:
undetectable
5lf3Z-4jhmA:
undetectable		 5lf3Y-4jhmA:
17.53
5lf3Z-4jhmA:
19.31
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ALA A 367
ALA A 365
GLY A 379
GLY A 300
ALA A 301
 None
 0.97A 5lf3Y-4kpgA:
undetectable
5lf3Z-4kpgA:
undetectable		 5lf3Y-4kpgA:
22.11
5lf3Z-4kpgA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ALA A 367
ALA A 365
GLY A 379
GLY A 300
ALA A 301
 None
 0.93A 5lf3Y-4m1zA:
undetectable
5lf3Z-4m1zA:
undetectable		 5lf3Y-4m1zA:
22.14
5lf3Z-4m1zA:
23.38
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.
4o3s DNA POLYMERASE ETA

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		5 ALA A  35
ALA A  78
GLY A  46
GLY A  45
ALA A  65
 None
 1.01A 5lf3Y-4o3sA:
undetectable
5lf3Z-4o3sA:
undetectable		 5lf3Y-4o3sA:
16.47
5lf3Z-4o3sA:
20.29
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 602
THR A 601
ALA A 600
GLY A 607
ALA A 606
 None
 1.00A 5lf3Y-4oqjA:
undetectable
5lf3Z-4oqjA:
undetectable		 5lf3Y-4oqjA:
12.95
5lf3Z-4oqjA:
13.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		9 THR K   1
ALA K  20
THR K  21
ALA K  22
LYS K  33
GLY K  47
GLY K  48
ALA K  49
TYR K 170
 None
 0.62A 5lf3Y-4qv9K:
35.2
5lf3Z-4qv9K:
24.4		 5lf3Y-4qv9K:
64.90
5lf3Z-4qv9K:
26.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		7 THR K   1
ALA K  20
THR K  21
ALA K  22
LYS K  33
GLY K  47
TYR K 170
 None
 0.89A 5lf3Y-4qv9K:
35.2
5lf3Z-4qv9K:
24.4		 5lf3Y-4qv9K:
64.90
5lf3Z-4qv9K:
26.89
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 ALA A  82
THR A  81
GLY A  88
GLY A  87
ALA A  86
 None
 1.01A 5lf3Y-4tqtA:
undetectable
5lf3Z-4tqtA:
undetectable		 5lf3Y-4tqtA:
20.18
5lf3Z-4tqtA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txd CSC2

(Thermofilum
pendens) 		no annotation 5 ALA A 283
THR A 189
ALA A 188
GLY A 227
ALA A 279
 None
 1.00A 5lf3Y-4txdA:
undetectable
5lf3Z-4txdA:
undetectable		 5lf3Y-4txdA:
22.53
5lf3Z-4txdA:
20.68
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.
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri) 		PF03480
(DctP) 		5 ALA A 282
GLY A 290
GLY A 289
ALA A 288
TYR A 230
 None
 0.91A 5lf3Y-4x04A:
undetectable
5lf3Z-4x04A:
undetectable		 5lf3Y-4x04A:
21.59
5lf3Z-4x04A:
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.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		5 ALA A 275
THR A 274
ALA A 273
GLY A 230
ALA A 150
 None
 1.02A 5lf3Y-4yleA:
undetectable
5lf3Z-4yleA:
undetectable		 5lf3Y-4yleA:
22.76
5lf3Z-4yleA:
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.
4yzz TRAP TRANSPORTER
SOLUTE BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 ALA A 289
GLY A 297
GLY A 296
ALA A 295
TYR A 235
 None
 0.91A 5lf3Y-4yzzA:
undetectable
5lf3Z-4yzzA:
undetectable		 5lf3Y-4yzzA:
22.07
5lf3Z-4yzzA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bw4 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Catenulispora
acidiphila) 		no annotation 5 THR A  70
ALA A  71
GLY A  81
GLY A  82
ALA A  83
 None
 0.99A 5lf3Y-5bw4A:
undetectable
5lf3Z-5bw4A:
undetectable		 5lf3Y-5bw4A:
20.70
5lf3Z-5bw4A:
22.14
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
THR H  21
LYS H  33
GLY H  47
ALA H  49
 None
 0.49A 5lf3Y-5fg9H:
28.3
5lf3Z-5fg9H:
24.7		 5lf3Y-5fg9H:
28.27
5lf3Z-5fg9H:
24.81
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.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 THR I   1
ALA I  20
THR I  21
LYS I  33
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 0.99A 5lf3Y-5fmgI:
29.0
5lf3Z-5fmgI:
24.9		 5lf3Y-5fmgI:
25.32
5lf3Z-5fmgI:
24.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR L   1
ALA L  20
GLY L  47
GLY L  48
ALA L  49
 None
 0.61A 5lf3Y-5fmgL:
29.3
5lf3Z-5fmgL:
25.0		 5lf3Y-5fmgL:
52.91
5lf3Z-5fmgL:
27.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR L   1
MET L  45
GLY L  47
GLY L  48
ALA L  49
 None
 0.68A 5lf3Y-5fmgL:
29.3
5lf3Z-5fmgL:
25.0		 5lf3Y-5fmgL:
52.91
5lf3Z-5fmgL:
27.39
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.
5gxf ACRYLYL-COA
REDUCTASE ACUI

(Ruegeria
pomeroyi) 		PF00107
(ADH_zinc_N) 		5 ALA A 166
THR A 167
ALA A 168
GLY A 160
GLY A 161
 None
 1.04A 5lf3Y-5gxfA:
undetectable
5lf3Z-5gxfA:
undetectable		 5lf3Y-5gxfA:
21.45
5lf3Z-5gxfA:
22.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR K   1
ALA K  20
THR K  21
ALA K  22
LYS K  33
GLY K  47
ALA K  49
TYR K 169
 None
 0.68A 5lf3Y-5l5wK:
36.0
5lf3Z-5l5wK:
24.7		 5lf3Y-5l5wK:
83.09
5lf3Z-5l5wK:
24.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR K   1
ALA K  20
THR K  21
LYS K  33
GLY K  47
GLY K  48
ALA K  49
TYR K 169
 None
 0.74A 5lf3Y-5l5wK:
36.0
5lf3Z-5l5wK:
24.7		 5lf3Y-5l5wK:
83.09
5lf3Z-5l5wK:
24.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  20
THR K  21
LYS K  33
GLY K  47
TYR K 169
 None
 0.96A 5lf3Y-5l5wK:
36.0
5lf3Z-5l5wK:
24.7		 5lf3Y-5l5wK:
83.09
5lf3Z-5l5wK:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		6 ALA A 122
THR A 121
ALA A 118
GLY A 154
GLY A 155
ASP A 255
 None
None
None
None
None
PLP  A1001 (-2.4A)
 1.11A 5lf3Y-5lh9A:
undetectable
5lf3Z-5lh9A:
undetectable		 5lf3Y-5lh9A:
21.28
5lf3Z-5lh9A:
17.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR K   1
ALA K  20
ALA K  22
LYS K  33
MET K  45
GLY K  47
ALA K  49
TYR K 169
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
None
7DX  K 301 (-4.2A)
7DX  K 301 ( 3.8A)
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
None
 0.57A 5lf3Y-5m2bK:
35.8
5lf3Z-5m2bK:
25.1		 5lf3Y-5m2bK:
66.18
5lf3Z-5m2bK:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  20
LYS K  33
MET K  45
GLY K  47
TYR K 169
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
7DX  K 301 (-4.2A)
7DX  K 301 ( 3.8A)
7DX  K 301 (-3.8A)
None
 0.92A 5lf3Y-5m2bK:
35.8
5lf3Z-5m2bK:
25.1		 5lf3Y-5m2bK:
66.18
5lf3Z-5m2bK:
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.
5mpq TRANSGLYCOSYLASE

(Neisseria
meningitidis) 		PF01464
(SLT)
PF14718
(SLT_L) 		5 ALA A 448
ALA A 569
GLY A 576
ALA A 577
TYR A 428
 None
 0.95A 5lf3Y-5mpqA:
undetectable
5lf3Z-5mpqA:
undetectable		 5lf3Y-5mpqA:
18.09
5lf3Z-5mpqA:
16.51
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.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 THR A 128
ALA A 129
GLY A 121
GLY A 122
ALA A 123
 None
 0.94A 5lf3Y-5symA:
undetectable
5lf3Z-5symA:
undetectable		 5lf3Y-5symA:
19.41
5lf3Z-5symA:
22.14
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.
5syn ACYL-PROTEIN
THIOESTERASE 2

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 THR A 131
ALA A 132
GLY A 124
GLY A 125
ALA A 126
 None
 1.00A 5lf3Y-5synA:
undetectable
5lf3Z-5synA:
undetectable		 5lf3Y-5synA:
22.61
5lf3Z-5synA:
22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		7 ALA R  20
ALA R  22
LYS R  33
GLY R  47
GLY R  48
ALA R  49
TYR R 169
 None
 0.77A 5lf3Y-5t0gR:
33.3
5lf3Z-5t0gR:
24.7		 5lf3Y-5t0gR:
100.00
5lf3Z-5t0gR:
23.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 ALA R  20
THR R  21
ALA R  22
LYS R  33
ALA R  49
TYR R 169
 None
 0.95A 5lf3Y-5t0gR:
33.3
5lf3Z-5t0gR:
24.7		 5lf3Y-5t0gR:
100.00
5lf3Z-5t0gR:
23.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 ALA R  20
THR R  21
ALA R  22
LYS R  33
GLY R  47
TYR R 169
 None
 1.17A 5lf3Y-5t0gR:
33.3
5lf3Z-5t0gR:
24.7		 5lf3Y-5t0gR:
100.00
5lf3Z-5t0gR:
23.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 THR R   1
ALA R  20
LYS R  33
GLY R  47
GLY R  48
ALA R  49
 None
 0.98A 5lf3Y-5t0gR:
33.3
5lf3Z-5t0gR:
24.7		 5lf3Y-5t0gR:
100.00
5lf3Z-5t0gR:
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.
5t50 LECTIN

(Bauhinia
forficata) 		PF00139
(Lectin_legB) 		5 ALA A 161
THR A 162
ALA A 163
GLY A 183
GLY A 184
 None
 1.03A 5lf3Y-5t50A:
undetectable
5lf3Z-5t50A:
undetectable		 5lf3Y-5t50A:
19.92
5lf3Z-5t50A:
23.11
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.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE

(Vigna
unguiculata) 		PF01150
(GDA1_CD39) 		5 ALA F  87
THR F  88
ALA F  89
GLY F  17
GLY F  47
 None
PO4  F 502 (-3.7A)
PO4  F 502 (-3.7A)
None
None
 1.01A 5lf3Y-5u7xF:
undetectable
5lf3Z-5u7xF:
undetectable		 5lf3Y-5u7xF:
18.61
5lf3Z-5u7xF:
18.79
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.
5uro PREDICTED PROTEIN

(Trichoderma
reesei) 		PF00561
(Abhydrolase_1) 		5 THR A 125
ALA A 126
GLY A 118
GLY A 119
ALA A 120
 None
 0.91A 5lf3Y-5uroA:
undetectable
5lf3Z-5uroA:
undetectable		 5lf3Y-5uroA:
19.88
5lf3Z-5uroA:
22.55
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 6 ALA R  20
THR R  21
ALA R  22
LYS R  33
GLY R  47
TYR R 169
 None
 1.11A 5lf3Y-5vfrR:
34.3
5lf3Z-5vfrR:
24.5		 5lf3Y-5vfrR:
undetectable
5lf3Z-5vfrR:
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 9 THR R   1
ALA R  20
THR R  21
ALA R  22
LYS R  33
GLY R  47
GLY R  48
ALA R  49
TYR R 169
 None
 0.65A 5lf3Y-5vfrR:
34.3
5lf3Z-5vfrR:
24.5		 5lf3Y-5vfrR:
undetectable
5lf3Z-5vfrR:
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.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT
10B

(Homo sapiens) 		PF00004
(AAA) 		5 THR E 284
THR E 279
ALA E 278
GLY E 239
ALA E 237
 None
 0.93A 5lf3Y-5vhjE:
undetectable
5lf3Z-5vhjE:
undetectable		 5lf3Y-5vhjE:
21.51
5lf3Z-5vhjE:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A  80
THR A  79
GLY A  86
GLY A  85
ALA A  84
 None
 0.89A 5lf3Y-5ykdA:
undetectable
5lf3Z-5ykdA:
undetectable		 5lf3Y-5ykdA:
17.65
5lf3Z-5ykdA:
17.71
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 THR B   1
ALA B  20
THR B  21
LYS B  33
GLY B  47
ALA B  49
 None
 0.68A 5lf3Y-6avoB:
21.8
5lf3Z-6avoB:
20.0		 5lf3Y-6avoB:
17.73
5lf3Z-6avoB:
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 THR B 193
THR B 160
ALA B 161
GLY B 171
GLY B 170
ASP B 166
 None
 1.41A 5lf3Y-6avoB:
21.8
5lf3Z-6avoB:
20.0		 5lf3Y-6avoB:
17.73
5lf3Z-6avoB:
18.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 8 THR C   1
ALA C  20
ALA C  22
LYS C  33
MET C  45
GLY C  47
ALA C  49
TYR C 169
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 ( 4.7A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
None
 0.74A 5lf3Y-6avoC:
35.4
5lf3Z-6avoC:
25.8		 5lf3Y-6avoC:
75.00
5lf3Z-6avoC:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 5 THR A   1
ALA A  22
LYS A  33
GLY A  47
ALA A  49
 None
 0.54A 5lf3Y-6avoA:
25.6
5lf3Z-6avoA:
27.1		 5lf3Y-6avoA:
19.61
5lf3Z-6avoA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 ALA A 169
THR A 170
GLY A 152
GLY A 151
ASP A 128
 None
 0.99A 5lf3Y-6cyzA:
undetectable
5lf3Z-6cyzA:
undetectable		 5lf3Y-6cyzA:
18.63
5lf3Z-6cyzA:
22.28