SIMILAR PATTERNS OF AMINO ACIDS FOR 4QWU_K_BO2K301_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.
1ivh ISOVALERYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 339
ALA A 343
GLY A 260
GLY A 261
ASP A 367
 None
 1.15A 4qwuK-1ivhA:
undetectable
4qwuL-1ivhA:
undetectable		 4qwuK-1ivhA:
21.71
4qwuL-1ivhA:
19.80
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) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.48A 4qwuK-1j2qH:
28.3
4qwuL-1j2qH:
24.6		 4qwuK-1j2qH:
30.37
4qwuL-1j2qH:
26.36
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.
1mld MALATE DEHYDROGENASE

(Sus scrofa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 224
ALA A 228
ALA A 232
GLY A  11
GLY A  13
 None
 1.13A 4qwuK-1mldA:
undetectable
4qwuL-1mldA:
undetectable		 4qwuK-1mldA:
21.67
4qwuL-1mldA:
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.
1nb2 NUCLEOSIDE
DIPHOSPHATE KINASE

(Virgibacillus
halodenitrificans) 		PF00334
(NDK) 		5 THR A  84
ALA A  82
THR A   5
ALA A 124
GLY A  78
 None
 1.13A 4qwuK-1nb2A:
undetectable
4qwuL-1nb2A:
undetectable		 4qwuK-1nb2A:
22.48
4qwuL-1nb2A:
22.02
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 None
 0.62A 4qwuK-1q5qH:
25.7
4qwuL-1q5qH:
22.5		 4qwuK-1q5qH:
27.92
4qwuL-1q5qH:
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H   1
ALA H  20
THR H  21
ALA H  27
GLY H  47
 None
 1.13A 4qwuK-1q5rH:
23.3
4qwuL-1q5rH:
22.3		 4qwuK-1q5rH:
27.59
4qwuL-1q5rH:
22.70
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.
1r88 MPT51/MPB51 ANTIGEN

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		5 ALA A 153
ALA A 156
MET A 104
GLY A 147
GLY A 148
 None
 1.07A 4qwuK-1r88A:
undetectable
4qwuL-1r88A:
undetectable		 4qwuK-1r88A:
22.78
4qwuL-1r88A:
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.
1sfs HYPOTHETICAL PROTEIN

(Geobacillus
stearothermophilus) 		PF08924
(DUF1906) 		5 THR A 120
ALA A 115
ALA A 146
GLY A  77
ASP A 110
 None
None
None
None
PO4  A 217 (-4.6A)
 1.11A 4qwuK-1sfsA:
undetectable
4qwuL-1sfsA:
undetectable		 4qwuK-1sfsA:
20.45
4qwuL-1sfsA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 ALA A 151
ALA A 228
GLY A 186
GLY A 185
ASP A 142
 None
 1.14A 4qwuK-1tmxA:
undetectable
4qwuL-1tmxA:
undetectable		 4qwuK-1tmxA:
22.03
4qwuL-1tmxA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		5 ALA A  48
ALA A  45
GLY A  53
GLY A  54
ASP A  25
 None
 0.86A 4qwuK-1x9sA:
undetectable
4qwuL-1x9sA:
undetectable		 4qwuK-1x9sA:
14.04
4qwuL-1x9sA:
16.93
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.
1zxx 6-PHOSPHOFRUCTOKINAS
E

(Lactobacillus
delbrueckii) 		PF00365
(PFK) 		5 ALA A  19
ALA A  18
GLY A 101
GLY A 124
ASP A 260
 None
 1.06A 4qwuK-1zxxA:
undetectable
4qwuL-1zxxA:
undetectable		 4qwuK-1zxxA:
20.00
4qwuL-1zxxA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b42 XYLANASE INHIBITOR-I

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 THR A 199
ALA A 205
ALA A  31
GLY A 201
GLY A 202
 None
 1.16A 4qwuK-2b42A:
undetectable
4qwuL-2b42A:
undetectable		 4qwuK-2b42A:
21.45
4qwuL-2b42A:
21.29
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.
2mas INOSINE-URIDINE
NUCLEOSIDE
N-RIBOHYDROLASE

(Crithidia
fasciculata) 		PF01156
(IU_nuc_hydro) 		5 THR A 275
ALA A 176
ALA A 175
GLY A 154
GLY A 153
 None
 1.20A 4qwuK-2masA:
undetectable
4qwuL-2masA:
undetectable		 4qwuK-2masA:
22.08
4qwuL-2masA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ntb PECTINESTERASE A

(Dickeya
dadantii) 		PF01095
(Pectinesterase) 		5 THR A 179
ALA A 154
ALA A  96
GLY A 196
ASP A 134
 None
 1.08A 4qwuK-2ntbA:
undetectable
4qwuL-2ntbA:
undetectable		 4qwuK-2ntbA:
21.64
4qwuL-2ntbA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		5 ALA A  19
ALA A  18
GLY A 101
GLY A 124
ASP A 260
 None
 1.16A 4qwuK-2pfkA:
undetectable
4qwuL-2pfkA:
undetectable		 4qwuK-2pfkA:
24.71
4qwuL-2pfkA:
21.18
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.
2pia PHTHALATE
DIOXYGENASE
REDUCTASE

(Burkholderia
cepacia) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ALA A 154
THR A 153
ALA A  20
GLY A 119
GLY A 120
 None
 0.84A 4qwuK-2piaA:
undetectable
4qwuL-2piaA:
undetectable		 4qwuK-2piaA:
19.81
4qwuL-2piaA:
23.40
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.
2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Paraburkholderia
phytofirmans) 		PF13407
(Peripla_BP_4) 		5 ALA A 238
THR A 263
ALA A 244
GLY A 157
ASP A 266
 None
None
None
None
GAL  A 368 (-2.9A)
 1.11A 4qwuK-2rjoA:
undetectable
4qwuL-2rjoA:
undetectable		 4qwuK-2rjoA:
20.37
4qwuL-2rjoA:
21.25
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.
2v9i RHAMNULOSE-1-PHOSPHA
TE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		5 ALA A  20
THR A  17
ALA A  16
GLY A  30
GLY A  31
 None
None
None
ZN  A1275 ( 4.9A)
ZN  A1275 ( 4.6A)
 1.15A 4qwuK-2v9iA:
undetectable
4qwuL-2v9iA:
undetectable		 4qwuK-2v9iA:
20.57
4qwuL-2v9iA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1
PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Methanothermobacter
thermautotrophicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ALA B 108
THR B 199
ALA B 190
GLY A 238
GLY A 237
 None
 1.15A 4qwuK-2wnrB:
undetectable
4qwuL-2wnrB:
undetectable		 4qwuK-2wnrB:
19.68
4qwuL-2wnrB:
24.54
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.
2x30 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
coelicolor) 		PF00977
(His_biosynth) 		5 ALA A 106
THR A 105
GLY A  82
GLY A  83
ASP A  86
 None
SO4  A1241 (-3.4A)
SO4  A1241 (-3.4A)
SO4  A1241 (-3.3A)
None
 1.12A 4qwuK-2x30A:
undetectable
4qwuL-2x30A:
undetectable		 4qwuK-2x30A:
22.22
4qwuL-2x30A:
22.40
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.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		5 ALA A 203
THR A 231
ALA A 245
GLY A 238
GLY A 239
 None
 1.12A 4qwuK-3a3hA:
undetectable
4qwuL-3a3hA:
undetectable		 4qwuK-3a3hA:
20.65
4qwuL-3a3hA:
20.60
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.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 THR A 170
ALA A 173
GLY A 228
GLY A 230
ASP A 179
 None
 1.14A 4qwuK-3aamA:
undetectable
4qwuL-3aamA:
undetectable		 4qwuK-3aamA:
23.81
4qwuL-3aamA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 ALA A 268
THR A 267
LYS A 365
GLY A1057
GLY A1059
 None
 1.18A 4qwuK-3aibA:
undetectable
4qwuL-3aibA:
undetectable		 4qwuK-3aibA:
12.32
4qwuL-3aibA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 THR A 274
ALA A 174
ALA A 173
GLY A 152
GLY A 151
 None
 1.16A 4qwuK-3g5iA:
undetectable
4qwuL-3g5iA:
undetectable		 4qwuK-3g5iA:
23.78
4qwuL-3g5iA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 ALA A 314
THR A 313
ALA A 389
GLY A 291
ASP A 186
 None
 1.16A 4qwuK-3gcwA:
undetectable
4qwuL-3gcwA:
undetectable		 4qwuK-3gcwA:
17.78
4qwuL-3gcwA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 THR B 192
ALA B 191
GLY B 456
GLY B 455
ASP B 444
 None
 1.14A 4qwuK-3jcmB:
undetectable
4qwuL-3jcmB:
undetectable		 4qwuK-3jcmB:
18.20
4qwuL-3jcmB:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k50 PUTATIVE S41
PROTEASE

(Bacteroides
fragilis) 		PF03572
(Peptidase_S41) 		5 ALA A 353
THR A 354
MET A 329
GLY A 258
GLY A 259
 None
 1.12A 4qwuK-3k50A:
undetectable
4qwuL-3k50A:
undetectable		 4qwuK-3k50A:
19.51
4qwuL-3k50A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		5 THR A 145
ALA A  90
THR A  89
ALA A  93
GLY A 140
 None
 1.11A 4qwuK-3khsA:
undetectable
4qwuL-3khsA:
undetectable		 4qwuK-3khsA:
22.49
4qwuL-3khsA:
21.74
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.
3ks5 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Agrobacterium
fabrum) 		PF03009
(GDPD) 		5 THR A  25
THR A 234
ALA A 236
GLY A   9
GLY A  10
 None
 1.18A 4qwuK-3ks5A:
undetectable
4qwuL-3ks5A:
undetectable		 4qwuK-3ks5A:
20.82
4qwuL-3ks5A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
THR N  21
ALA N  27
LYS N  33
GLY N  47
 None
 0.54A 4qwuK-3mg6N:
28.0
4qwuL-3mg6N:
25.2		 4qwuK-3mg6N:
27.18
4qwuL-3mg6N:
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 ALA A  92
THR A  91
ALA A  95
GLY A 109
GLY A  42
 SAH  A 300 (-4.2A)
SAH  A 300 (-3.9A)
None
SAH  A 300 ( 3.8A)
SAH  A 300 (-3.1A)
 0.94A 4qwuK-3njrA:
undetectable
4qwuL-3njrA:
undetectable		 4qwuK-3njrA:
18.92
4qwuL-3njrA:
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.
3o80 HEXOKINASE

(Kluyveromyces
lactis) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 THR A 155
THR A 212
ALA A 238
GLY A 460
GLY A 462
 None
 1.19A 4qwuK-3o80A:
undetectable
4qwuL-3o80A:
undetectable		 4qwuK-3o80A:
20.41
4qwuL-3o80A:
18.07
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 ALA A 223
ALA A 222
GLY A 307
GLY A 353
ASP A 499
 None
 1.11A 4qwuK-3o8oA:
undetectable
4qwuL-3o8oA:
undetectable		 4qwuK-3o8oA:
14.58
4qwuL-3o8oA:
16.43
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 ALA A 228
ALA A 227
GLY A 312
GLY A 358
ASP A 504
 None
None
SO4  A 990 ( 4.8A)
None
None
 1.07A 4qwuK-3opyA:
undetectable
4qwuL-3opyA:
undetectable		 4qwuK-3opyA:
12.50
4qwuL-3opyA:
12.58
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.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A 150
THR A 416
ALA A 154
MET A 144
GLY A 394
 None
None
None
ZN  A 450 ( 4.4A)
None
 1.18A 4qwuK-3pfoA:
undetectable
4qwuL-3pfoA:
undetectable		 4qwuK-3pfoA:
17.83
4qwuL-3pfoA:
22.08
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.
3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 THR A 141
ALA A  90
THR A 119
ALA A 122
GLY A  93
 GOL  A 285 (-4.0A)
None
None
None
GOL  A 285 (-3.4A)
 1.01A 4qwuK-3pk0A:
undetectable
4qwuL-3pk0A:
undetectable		 4qwuK-3pk0A:
22.10
4qwuL-3pk0A:
21.40
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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A  62
THR A  61
ALA A  76
GLY A  43
GLY A  57
 None
None
None
None
CL  A 189 ( 4.0A)
 1.09A 4qwuK-3s6lA:
undetectable
4qwuL-3s6lA:
undetectable		 4qwuK-3s6lA:
22.17
4qwuL-3s6lA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 ALA A 204
ALA A 280
GLY A 179
GLY A 178
ASP A  41
 None
 1.19A 4qwuK-3ti7A:
undetectable
4qwuL-3ti7A:
undetectable		 4qwuK-3ti7A:
20.76
4qwuL-3ti7A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE

(Caldanaerobacter
subterraneus) 		PF03069
(FmdA_AmdA) 		5 ALA A 230
THR A 282
ALA A 238
GLY A 153
GLY A 150
 None
 1.18A 4qwuK-3tkkA:
undetectable
4qwuL-3tkkA:
undetectable		 4qwuK-3tkkA:
20.77
4qwuL-3tkkA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujk PROTEIN PHOSPHATASE
2C 77

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 THR A 229
ALA A 226
ALA A 224
GLY A 168
GLY A 169
 None
 1.10A 4qwuK-3ujkA:
5.5
4qwuL-3ujkA:
5.1		 4qwuK-3ujkA:
20.62
4qwuL-3ujkA:
22.02
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
 0.34A 4qwuK-3unfH:
29.4
4qwuL-3unfH:
25.5		 4qwuK-3unfH:
26.16
4qwuL-3unfH:
25.10
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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 5 THR A 481
ALA A 433
THR A 434
ALA A 360
ASP A 511
 None
 1.01A 4qwuK-3w36A:
undetectable
4qwuL-3w36A:
undetectable		 4qwuK-3w36A:
17.68
4qwuL-3w36A:
16.89
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) 		5 THR L   1
ALA L  20
ALA L  27
LYS L  33
GLY L  47
 None
 0.55A 4qwuK-3wxrL:
37.8
4qwuL-3wxrL:
23.2		 4qwuK-3wxrL:
99.53
4qwuL-3wxrL:
22.18
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) 		5 THR L   1
ALA L  20
THR L  21
ALA L  27
LYS L  33
 None
 0.26A 4qwuK-3wxrL:
37.8
4qwuL-3wxrL:
23.2		 4qwuK-3wxrL:
99.53
4qwuL-3wxrL:
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ALA A 164
THR A 165
ALA A 167
MET A 291
GLY A 157
 None
 1.17A 4qwuK-4a01A:
undetectable
4qwuL-4a01A:
undetectable		 4qwuK-4a01A:
16.15
4qwuL-4a01A:
12.40
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.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		5 ALA A  19
ALA A  18
GLY A 101
GLY A 124
ASP A 260
 None
 1.13A 4qwuK-4a3sA:
undetectable
4qwuL-4a3sA:
undetectable		 4qwuK-4a3sA:
21.41
4qwuL-4a3sA:
23.93
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.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 THR A 492
ALA A  81
THR A 127
ALA A 126
GLY A 429
 None
 1.19A 4qwuK-4arcA:
undetectable
4qwuL-4arcA:
undetectable		 4qwuK-4arcA:
13.07
4qwuL-4arcA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 THR A 154
ALA A 267
ALA A 263
GLY A 151
GLY A 149
 None
 1.20A 4qwuK-4b3iA:
undetectable
4qwuL-4b3iA:
undetectable		 4qwuK-4b3iA:
15.06
4qwuL-4b3iA:
14.38
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.
4dje CORRINOID/IRON-SULFU
R PROTEIN SMALL
SUBUNIT

(Moorella
thermoacetica) 		PF03599
(CdhD) 		5 THR D 287
ALA D 296
GLY D 219
GLY D 218
ASP D 214
 None
 1.13A 4qwuK-4djeD:
undetectable
4qwuL-4djeD:
undetectable		 4qwuK-4djeD:
19.08
4qwuL-4djeD:
23.55
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.
4f4o HAPTOGLOBIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 THR C 141
ALA C 130
THR C 131
ALA C 118
GLY C 189
 None
 1.19A 4qwuK-4f4oC:
undetectable
4qwuL-4f4oC:
undetectable		 4qwuK-4f4oC:
20.29
4qwuL-4f4oC:
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.
4fww MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR

(Homo sapiens) 		PF01403
(Sema) 		5 ALA A  73
ALA A  57
GLY A  52
GLY A  53
ASP A 119
 None
ACT  A 611 ( 3.7A)
None
None
None
 1.17A 4qwuK-4fwwA:
undetectable
4qwuL-4fwwA:
undetectable		 4qwuK-4fwwA:
16.35
4qwuL-4fwwA:
21.69
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.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1

(Saccharomyces
cerevisiae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A 405
THR A 406
ALA A 402
GLY A 463
GLY A 464
 None
 1.19A 4qwuK-4g1pA:
undetectable
4qwuL-4g1pA:
undetectable		 4qwuK-4g1pA:
20.22
4qwuL-4g1pA:
18.74
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A   1
ALA A  20
LYS A  33
GLY A  48
GLY A  49
 None
 1.04A 4qwuK-4g4eA:
20.1
4qwuL-4g4eA:
17.5		 4qwuK-4g4eA:
28.05
4qwuL-4g4eA:
23.61
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A   1
ALA A  20
THR A  21
LYS A  33
GLY A  48
 None
 0.88A 4qwuK-4g4eA:
20.1
4qwuL-4g4eA:
17.5		 4qwuK-4g4eA:
28.05
4qwuL-4g4eA:
23.61
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		5 THR A  78
ALA A  66
ALA A  59
GLY A  80
GLY A  83
 None
 1.08A 4qwuK-4gl3A:
undetectable
4qwuL-4gl3A:
undetectable		 4qwuK-4gl3A:
19.58
4qwuL-4gl3A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
ALA A  28
LYS A  34
GLY A  48
 None
 0.90A 4qwuK-4ho7A:
20.1
4qwuL-4ho7A:
16.8		 4qwuK-4ho7A:
23.26
4qwuL-4ho7A:
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.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		5 ALA A  19
ALA A  18
GLY A 101
GLY A 124
ASP A 260
 None
 1.11A 4qwuK-4i4iA:
undetectable
4qwuL-4i4iA:
undetectable		 4qwuK-4i4iA:
21.12
4qwuL-4i4iA:
24.24
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.
4i70 INOSINE-ADENOSINE-GU
ANOSINE-NUCLEOSIDE
HYDROLASE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		5 THR A 294
ALA A 194
ALA A 193
GLY A 166
GLY A 165
 None
 1.16A 4qwuK-4i70A:
undetectable
4qwuL-4i70A:
undetectable		 4qwuK-4i70A:
19.52
4qwuL-4i70A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 THR A 272
ALA A 174
ALA A 173
GLY A 151
GLY A 150
 None
 1.17A 4qwuK-4kpoA:
undetectable
4qwuL-4kpoA:
undetectable		 4qwuK-4kpoA:
19.94
4qwuL-4kpoA:
22.32
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.
4laf NAD(P)H
DEHYDROGENASE
(QUINONE)

(Pseudomonas sp.
WBC-3) 		PF03358
(FMN_red) 		5 THR A  84
ALA A 121
ALA A 175
GLY A 126
GLY A 125
 FMN  A 400 (-4.4A)
FMN  A 400 (-3.2A)
None
None
FMN  A 400 (-3.7A)
 1.10A 4qwuK-4lafA:
undetectable
4qwuL-4lafA:
undetectable		 4qwuK-4lafA:
21.19
4qwuL-4lafA:
20.08
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.
4mhl INTERLEUKIN-11

(Homo sapiens) 		PF07400
(IL11) 		5 THR A  53
ALA A 188
GLY A 179
GLY A 180
ASP A 100
 None
 1.17A 4qwuK-4mhlA:
undetectable
4qwuL-4mhlA:
undetectable		 4qwuK-4mhlA:
23.87
4qwuL-4mhlA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 ALA A 100
THR A 101
ALA A 103
MET A 241
GLY A 243
 None
 1.11A 4qwuK-4my5A:
undetectable
4qwuL-4my5A:
undetectable		 4qwuK-4my5A:
17.97
4qwuL-4my5A:
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		5 ALA A 181
THR A 180
ALA A 182
GLY A 204
GLY A 205
 None
 1.11A 4qwuK-4ne4A:
undetectable
4qwuL-4ne4A:
undetectable		 4qwuK-4ne4A:
21.77
4qwuL-4ne4A:
24.05
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.
4o5m ISOVALERYL-COA
DEHYDROGENASE

(Brucella suis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 327
ALA A 331
GLY A 248
GLY A 249
ASP A 355
 None
 1.20A 4qwuK-4o5mA:
undetectable
4qwuL-4o5mA:
undetectable		 4qwuK-4o5mA:
20.73
4qwuL-4o5mA:
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.
4o9u NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		5 ALA B  97
THR B  98
ALA B 100
GLY B  90
GLY B  92
 None
 1.18A 4qwuK-4o9uB:
undetectable
4qwuL-4o9uB:
undetectable		 4qwuK-4o9uB:
19.78
4qwuL-4o9uB:
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.
4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00118
(Cpn60_TCP1) 		5 ALA A 456
ALA A 459
GLY A 417
GLY A 416
ASP A 480
 None
None
ADP  A 601 ( 4.9A)
ADP  A 601 (-3.2A)
ADP  A 601 (-3.9A)
 1.13A 4qwuK-4pj1A:
undetectable
4qwuL-4pj1A:
undetectable		 4qwuK-4pj1A:
16.19
4qwuL-4pj1A:
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.
4qhb UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		5 ALA A 339
THR A 348
ALA A 338
GLY A 345
GLY A 342
 None
 1.09A 4qwuK-4qhbA:
undetectable
4qwuL-4qhbA:
undetectable		 4qwuK-4qhbA:
20.05
4qwuL-4qhbA:
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.
4qt8 MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR

(Homo sapiens) 		no annotation 5 ALA B  73
ALA B  57
GLY B  52
GLY B  53
ASP B 119
 None
 1.16A 4qwuK-4qt8B:
undetectable
4qwuL-4qt8B:
undetectable		 4qwuK-4qt8B:
15.89
4qwuL-4qt8B:
16.82
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) 		6 THR K   1
ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
 None
 0.48A 4qwuK-4qv9K:
38.6
4qwuL-4qv9K:
23.4		 4qwuK-4qv9K:
99.06
4qwuL-4qv9K:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		5 ALA A 219
ALA A 371
GLY A  16
GLY A  17
ASP A 374
 None
None
FAD  A 502 (-4.2A)
FAD  A 502 (-3.1A)
FAD  A 502 (-3.5A)
 1.15A 4qwuK-4rslA:
undetectable
4qwuL-4rslA:
undetectable		 4qwuK-4rslA:
17.41
4qwuL-4rslA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 ALA A  42
ALA A  41
GLY A 126
GLY A 172
ASP A 318
 None
 1.16A 4qwuK-4u1rA:
undetectable
4qwuL-4u1rA:
undetectable		 4qwuK-4u1rA:
16.48
4qwuL-4u1rA:
14.36
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.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		5 THR A 320
ALA A 220
ALA A 219
GLY A 198
GLY A 197
 None
 1.15A 4qwuK-4wr2A:
undetectable
4qwuL-4wr2A:
undetectable		 4qwuK-4wr2A:
20.77
4qwuL-4wr2A:
20.17
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.
4x9s PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sp. Mg1) 		PF00977
(His_biosynth) 		5 ALA A 108
THR A 107
GLY A  84
GLY A  85
ASP A  88
 None
SO4  A 301 (-3.8A)
SO4  A 301 ( 3.8A)
SO4  A 301 (-3.5A)
None
 1.09A 4qwuK-4x9sA:
undetectable
4qwuL-4x9sA:
undetectable		 4qwuK-4x9sA:
22.83
4qwuL-4x9sA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b58 PUTATIVE HEMIN ABC
TRANSPORT SYSTEM,
MEMBRANE PROTEIN

(Burkholderia
cenocepacia) 		PF01032
(FecCD) 		5 ALA A 101
THR A  98
ALA A 100
GLY A 232
GLY A 233
 None
 1.14A 4qwuK-5b58A:
undetectable
4qwuL-5b58A:
undetectable		 4qwuK-5b58A:
19.90
4qwuL-5b58A:
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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 ALA A 471
THR A 468
ALA A 470
GLY A 502
ASP A 316
 None
 1.15A 4qwuK-5cxwA:
undetectable
4qwuL-5cxwA:
undetectable		 4qwuK-5cxwA:
21.36
4qwuL-5cxwA:
18.55
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
 None
 0.39A 4qwuK-5fg9H:
18.0
4qwuL-5fg9H:
23.2		 4qwuK-5fg9H:
29.22
4qwuL-5fg9H:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ASP J 138
 7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 1.29A 4qwuK-5fmgI:
27.2
4qwuL-5fmgI:
23.6		 4qwuK-5fmgI:
26.29
4qwuL-5fmgI:
21.07
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.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 THR I   1
ALA I  20
THR I  21
ALA I  27
GLY I  47
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 1.10A 4qwuK-5fmgI:
27.2
4qwuL-5fmgI:
23.6		 4qwuK-5fmgI:
26.29
4qwuL-5fmgI:
21.07
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.
5guh PIWI

(Bombyx mori) 		PF02170
(PAZ)
PF02171
(Piwi) 		5 ALA A 643
THR A 640
ALA A 639
GLY A 560
GLY A 557
 None
 1.11A 4qwuK-5guhA:
undetectable
4qwuL-5guhA:
undetectable		 4qwuK-5guhA:
12.62
4qwuL-5guhA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kia L-THREONINE
3-DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A  36
THR A  35
ALA A 145
GLY A  62
ASP A 148
 None
None
None
None
CA  A 401 (-2.7A)
 1.06A 4qwuK-5kiaA:
undetectable
4qwuL-5kiaA:
undetectable		 4qwuK-5kiaA:
19.77
4qwuL-5kiaA:
18.13
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
ALA K  27
LYS K  33
GLY K  47
 None
 0.58A 4qwuK-5l5wK:
36.9
4qwuL-5l5wK:
23.6		 4qwuK-5l5wK:
82.08
4qwuL-5l5wK:
23.93
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.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 THR B 391
ALA B 474
GLY B 353
GLY B 351
ASP B 308
 None
 1.12A 4qwuK-5l9wB:
undetectable
4qwuL-5l9wB:
undetectable		 4qwuK-5l9wB:
17.06
4qwuL-5l9wB:
15.00
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) 		5 THR K   1
ALA K  20
ALA K  28
MET K  45
GLY K  47
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
7DX  K 301 ( 4.6A)
7DX  K 301 ( 3.8A)
7DX  K 301 (-3.8A)
 1.18A 4qwuK-5m2bK:
37.1
4qwuL-5m2bK:
23.9		 4qwuK-5m2bK:
76.42
4qwuL-5m2bK:
23.50
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) 		5 THR K   1
ALA K  20
LYS K  33
MET K  45
GLY K  47
 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)
 0.54A 4qwuK-5m2bK:
37.1
4qwuL-5m2bK:
23.9		 4qwuK-5m2bK:
76.42
4qwuL-5m2bK:
23.50
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.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ALA A 573
THR A 574
ALA A 572
GLY A 608
GLY A 606
 None
 1.19A 4qwuK-5oljA:
undetectable
4qwuL-5oljA:
undetectable		 4qwuK-5oljA:
14.72
4qwuL-5oljA:
13.97
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) 		5 THR R   1
ALA R  20
ALA R  27
LYS R  33
GLY R  47
 None
 0.90A 4qwuK-5t0gR:
31.4
4qwuL-5t0gR:
23.7		 4qwuK-5t0gR:
64.90
4qwuL-5t0gR:
22.06
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) 		5 THR R   1
THR R  21
ALA R  27
LYS R  33
MET R  45
 None
 1.00A 4qwuK-5t0gR:
31.4
4qwuL-5t0gR:
23.7		 4qwuK-5t0gR:
64.90
4qwuL-5t0gR:
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.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		5 THR A 274
ALA A 176
ALA A 175
GLY A 154
GLY A 153
 None
 1.19A 4qwuK-5tsqA:
undetectable
4qwuL-5tsqA:
undetectable		 4qwuK-5tsqA:
20.70
4qwuL-5tsqA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 ALA R  20
THR R  21
ALA R  27
LYS R  33
GLY R  48
 None
 0.98A 4qwuK-5vfrR:
32.1
4qwuL-5vfrR:
23.5		 4qwuK-5vfrR:
undetectable
4qwuL-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 6 THR R   1
ALA R  20
ALA R  27
LYS R  33
GLY R  47
GLY R  48
 None
 0.86A 4qwuK-5vfrR:
32.1
4qwuL-5vfrR:
23.5		 4qwuK-5vfrR:
undetectable
4qwuL-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 6 THR R   1
ALA R  20
THR R  21
ALA R  27
LYS R  33
GLY R  47
 None
 0.67A 4qwuK-5vfrR:
32.1
4qwuL-5vfrR:
23.5		 4qwuK-5vfrR:
undetectable
4qwuL-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.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E

(Staphylococcus
aureus) 		no annotation 5 ALA A  19
ALA A  18
GLY A 101
GLY A 126
ASP A 262
 None
 1.12A 4qwuK-5xoeA:
undetectable
4qwuL-5xoeA:
undetectable		 4qwuK-5xoeA:
17.16
4qwuL-5xoeA:
16.36
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.
5yhp COLD ACTIVE PROLINE
IMINOPEPTIDASE

(Glaciozyma
antarctica) 		no annotation 5 THR A 115
ALA A 277
GLY A 113
GLY A 110
ASP A 269
 None
 1.16A 4qwuK-5yhpA:
undetectable
4qwuL-5yhpA:
undetectable		 4qwuK-5yhpA:
22.94
4qwuL-5yhpA:
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 5 ALA A 343
ALA A 428
GLY A 318
GLY A 317
ASP A 185
 None
 1.15A 4qwuK-5yl7A:
undetectable
4qwuL-5yl7A:
undetectable		 4qwuK-5yl7A:
16.11
4qwuL-5yl7A:
15.62
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.
5z6o PROTEASE

(Penicillium
cyclopium) 		no annotation 5 ALA A 162
ALA A 231
GLY A 139
GLY A 138
ASP A  42
 PMS  A 302 (-3.6A)
None
None
PMS  A 302 (-3.7A)
PMS  A 302 ( 3.9A)
 1.19A 4qwuK-5z6oA:
undetectable
4qwuL-5z6oA:
undetectable		 4qwuK-5z6oA:
19.21
4qwuL-5z6oA:
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 THR B   1
ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
 None
 0.55A 4qwuK-6avoB:
20.7
4qwuL-6avoB:
21.0		 4qwuK-6avoB:
20.44
4qwuL-6avoB:
18.66
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 5 THR C   1
ALA C  20
ALA C  28
MET C  45
GLY C  47
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.4A)
BZ7  C 301 ( 4.7A)
BZ7  C 301 (-4.5A)
 1.06A 4qwuK-6avoC:
33.3
4qwuL-6avoC:
24.6		 4qwuK-6avoC:
65.00
4qwuL-6avoC:
17.37
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 5 THR C   1
ALA C  20
LYS C  33
MET C  45
GLY C  47
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 ( 4.7A)
BZ7  C 301 (-4.5A)
 0.54A 4qwuK-6avoC:
33.3
4qwuL-6avoC:
24.6		 4qwuK-6avoC:
65.00
4qwuL-6avoC:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bar ROD SHAPE
DETERMINING PROTEIN
RODA

(Thermus
thermophilus) 		no annotation 5 ALA A 341
THR A 342
ALA A 344
GLY A 335
GLY A 336
 OLC  A 402 (-3.7A)
None
OLC  A 402 ( 3.9A)
None
OLC  A 402 ( 4.7A)
 1.14A 4qwuK-6barA:
undetectable
4qwuL-6barA:
undetectable		 4qwuK-6barA:
17.77
4qwuL-6barA:
18.05
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.
6eyu BACTERIORHODOPSIN

(Candidatus
Nanosalina sp.
J07AB43) 		no annotation 5 ALA A   8
THR A   7
ALA A   5
GLY A  12
ASP A 197
 None
None
None
LFA  A 302 (-4.6A)
None
 1.14A 4qwuK-6eyuA:
undetectable
4qwuL-6eyuA:
undetectable		 4qwuK-6eyuA:
17.48
4qwuL-6eyuA:
16.42