SIMILAR PATTERNS OF AMINO ACIDS FOR 4QWU_Y_BO2Y301

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.
1ezr NUCLEOSIDE HYDROLASE

(Leishmania
major) 		PF01156
(IU_nuc_hydro) 		5 THR A 274
ALA A 176
ALA A 175
GLY A 154
GLY A 153
 None
 1.15A 4qwuY-1ezrA:
undetectable
4qwuZ-1ezrA:
undetectable		 4qwuY-1ezrA:
22.12
4qwuZ-1ezrA:
23.29
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
BETA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA B  38
THR B  39
ALA B 211
GLY B  25
ASP B 397
 None
 0.97A 4qwuY-1hr7B:
undetectable
4qwuZ-1hr7B:
undetectable		 4qwuY-1hr7B:
19.35
4qwuZ-1hr7B:
20.67
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)
 0.47A 4qwuY-1j2qH:
16.4
4qwuZ-1j2qH:
24.7		 4qwuY-1j2qH:
30.37
4qwuZ-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
 1.12A 4qwuY-1mldA:
undetectable
4qwuZ-1mldA:
undetectable		 4qwuY-1mldA:
21.67
4qwuZ-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
 1.11A 4qwuY-1nb2A:
undetectable
4qwuZ-1nb2A:
undetectable		 4qwuY-1nb2A:
22.48
4qwuZ-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) 		5 THR H   1
ALA H  20
ALA H  27
LYS H  33
GLY H  47
 None
 1.06A 4qwuY-1q5qH:
14.7
4qwuZ-1q5qH:
22.5		 4qwuY-1q5qH:
27.92
4qwuZ-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.
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 4qwuY-1q5qH:
14.7
4qwuZ-1q5qH:
22.5		 4qwuY-1q5qH:
27.92
4qwuZ-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
 1.12A 4qwuY-1q5rH:
17.5
4qwuZ-1q5rH:
22.3		 4qwuY-1q5rH:
27.59
4qwuZ-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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 THR A 273
ALA A 174
ALA A 173
GLY A 152
GLY A 151
 None
 1.16A 4qwuY-1q8fA:
undetectable
4qwuZ-1q8fA:
undetectable		 4qwuY-1q8fA:
21.52
4qwuZ-1q8fA:
23.44
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.
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
 1.04A 4qwuY-1r88A:
undetectable
4qwuZ-1r88A:
undetectable		 4qwuY-1r88A:
22.78
4qwuZ-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)
 1.17A 4qwuY-1sfsA:
undetectable
4qwuZ-1sfsA:
undetectable		 4qwuY-1sfsA:
20.45
4qwuZ-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.
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
 0.83A 4qwuY-1x9sA:
undetectable
4qwuZ-1x9sA:
undetectable		 4qwuY-1x9sA:
14.04
4qwuZ-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.
1zc6 PROBABLE
N-ACETYLGLUCOSAMINE
KINASE

(Chromobacterium
violaceum) 		PF01869
(BcrAD_BadFG) 		5 THR A  59
ALA A 284
GLY A  41
GLY A  22
ASP A 110
 None
 1.07A 4qwuY-1zc6A:
undetectable
4qwuZ-1zc6A:
undetectable		 4qwuY-1zc6A:
20.71
4qwuZ-1zc6A:
23.18
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.
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
 1.11A 4qwuY-1zxxA:
undetectable
4qwuZ-1zxxA:
undetectable		 4qwuY-1zxxA:
20.00
4qwuZ-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 4qwuY-2b42A:
undetectable
4qwuZ-2b42A:
undetectable		 4qwuY-2b42A:
21.45
4qwuZ-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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 THR A 297
ALA A 294
ALA A 187
GLY A 303
GLY A 288
 None
 1.07A 4qwuY-2elcA:
undetectable
4qwuZ-2elcA:
undetectable		 4qwuY-2elcA:
20.12
4qwuZ-2elcA:
21.52
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.
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
 1.15A 4qwuY-2masA:
undetectable
4qwuZ-2masA:
undetectable		 4qwuY-2masA:
22.08
4qwuZ-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.
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
 0.92A 4qwuY-2piaA:
undetectable
4qwuZ-2piaA:
undetectable		 4qwuY-2piaA:
19.81
4qwuZ-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.
2pyh POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF12708
(Pectate_lyase_3) 		5 ALA A  28
ALA A  25
GLY A  33
GLY A  34
ASP A   2
 None
 1.03A 4qwuY-2pyhA:
undetectable
4qwuZ-2pyhA:
undetectable		 4qwuY-2pyhA:
20.00
4qwuZ-2pyhA:
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.
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)
 1.09A 4qwuY-2rjoA:
undetectable
4qwuZ-2rjoA:
undetectable		 4qwuY-2rjoA:
20.37
4qwuZ-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)
 1.17A 4qwuY-2v9iA:
undetectable
4qwuZ-2v9iA:
undetectable		 4qwuY-2v9iA:
20.57
4qwuZ-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
 1.08A 4qwuY-2wnrB:
undetectable
4qwuZ-2wnrB:
undetectable		 4qwuY-2wnrB:
19.68
4qwuZ-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
 1.15A 4qwuY-2x30A:
undetectable
4qwuZ-2x30A:
undetectable		 4qwuY-2x30A:
22.22
4qwuZ-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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 ALA A 755
ALA A 754
GLY A 744
GLY A 747
ASP A 730
 None
 1.17A 4qwuY-2yn9A:
undetectable
4qwuZ-2yn9A:
undetectable		 4qwuY-2yn9A:
12.97
4qwuZ-2yn9A:
12.28
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.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		5 ALA A 203
THR A 231
ALA A 245
GLY A 238
GLY A 239
 None
 1.15A 4qwuY-3a3hA:
undetectable
4qwuZ-3a3hA:
undetectable		 4qwuY-3a3hA:
20.65
4qwuZ-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
 1.08A 4qwuY-3aamA:
undetectable
4qwuZ-3aamA:
undetectable		 4qwuY-3aamA:
23.81
4qwuZ-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
 1.15A 4qwuY-3aibA:
undetectable
4qwuZ-3aibA:
undetectable		 4qwuY-3aibA:
12.32
4qwuZ-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
 1.11A 4qwuY-3g5iA:
undetectable
4qwuZ-3g5iA:
undetectable		 4qwuY-3g5iA:
23.78
4qwuZ-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.
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
 1.13A 4qwuY-3jcmB:
undetectable
4qwuZ-3jcmB:
undetectable		 4qwuY-3jcmB:
18.20
4qwuZ-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.
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 4qwuY-3khsA:
undetectable
4qwuZ-3khsA:
undetectable		 4qwuY-3khsA:
22.49
4qwuZ-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.
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
 0.59A 4qwuY-3mg6N:
16.4
4qwuZ-3mg6N:
25.2		 4qwuY-3mg6N:
27.18
4qwuZ-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)
 0.87A 4qwuY-3njrA:
undetectable
4qwuZ-3njrA:
undetectable		 4qwuY-3njrA:
18.92
4qwuZ-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.
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
 1.15A 4qwuY-3o8oA:
undetectable
4qwuZ-3o8oA:
undetectable		 4qwuY-3o8oA:
14.58
4qwuZ-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
 1.12A 4qwuY-3opyA:
undetectable
4qwuZ-3opyA:
undetectable		 4qwuY-3opyA:
12.50
4qwuZ-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
 1.17A 4qwuY-3pfoA:
undetectable
4qwuZ-3pfoA:
undetectable		 4qwuY-3pfoA:
17.83
4qwuZ-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 4qwuY-3pk0A:
undetectable
4qwuZ-3pk0A:
undetectable		 4qwuY-3pk0A:
22.10
4qwuZ-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)
 1.08A 4qwuY-3s6lA:
undetectable
4qwuZ-3s6lA:
undetectable		 4qwuY-3s6lA:
22.17
4qwuZ-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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A  76
THR A  75
ALA A  90
GLY A  57
GLY A  71
 None
None
None
CL  A 189 ( 4.0A)
None
 1.05A 4qwuY-3s6lA:
undetectable
4qwuZ-3s6lA:
undetectable		 4qwuY-3s6lA:
22.17
4qwuZ-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.
3s7w EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
nitratireducens) 		PF02335
(Cytochrom_C552) 		5 THR A 178
ALA A 218
GLY A 134
GLY A 135
ASP A 161
 None
 1.11A 4qwuY-3s7wA:
undetectable
4qwuZ-3s7wA:
undetectable		 4qwuY-3s7wA:
18.11
4qwuZ-3s7wA:
19.69
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.
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
 1.15A 4qwuY-3tkkA:
undetectable
4qwuZ-3tkkA:
undetectable		 4qwuY-3tkkA:
20.77
4qwuZ-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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		5 THR A 178
ALA A 218
GLY A 134
GLY A 135
ASP A 161
 None
 1.11A 4qwuY-3ttbA:
undetectable
4qwuZ-3ttbA:
undetectable		 4qwuY-3ttbA:
17.10
4qwuZ-3ttbA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 4qwuY-3ujkA:
5.6
4qwuZ-3ujkA:
5.4		 4qwuY-3ujkA:
20.62
4qwuZ-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 4qwuY-3unfH:
17.3
4qwuZ-3unfH:
25.5		 4qwuY-3unfH:
26.16
4qwuZ-3unfH:
25.10
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
 0.62A 4qwuY-3wxrL:
37.8
4qwuZ-3wxrL:
23.2		 4qwuY-3wxrL:
99.53
4qwuZ-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
 0.27A 4qwuY-3wxrL:
37.8
4qwuZ-3wxrL:
23.2		 4qwuY-3wxrL:
99.53
4qwuZ-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.
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
 1.16A 4qwuY-4a3sA:
undetectable
4qwuZ-4a3sA:
undetectable		 4qwuY-4a3sA:
21.41
4qwuZ-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
 1.16A 4qwuY-4arcA:
undetectable
4qwuZ-4arcA:
undetectable		 4qwuY-4arcA:
13.07
4qwuZ-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.
4bct THAUMATIN-LIKE
PROTEIN

(Actinidia
deliciosa) 		PF00314
(Thaumatin) 		5 THR A  72
ALA A 130
GLY A 162
GLY A 163
ASP A 149
 None
 0.99A 4qwuY-4bctA:
undetectable
4qwuZ-4bctA:
undetectable		 4qwuY-4bctA:
20.25
4qwuZ-4bctA:
19.38
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
 1.08A 4qwuY-4djeD:
undetectable
4qwuZ-4djeD:
undetectable		 4qwuY-4djeD:
19.08
4qwuZ-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.
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
 1.15A 4qwuY-4g1pA:
undetectable
4qwuZ-4g1pA:
undetectable		 4qwuY-4g1pA:
20.22
4qwuZ-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
 0.98A 4qwuY-4g4eA:
10.7
4qwuZ-4g4eA:
18.8		 4qwuY-4g4eA:
28.05
4qwuZ-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
 0.87A 4qwuY-4g4eA:
10.7
4qwuZ-4g4eA:
18.8		 4qwuY-4g4eA:
28.05
4qwuZ-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
 1.03A 4qwuY-4gl3A:
undetectable
4qwuZ-4gl3A:
undetectable		 4qwuY-4gl3A:
19.58
4qwuZ-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
 0.88A 4qwuY-4ho7A:
10.0
4qwuZ-4ho7A:
16.8		 4qwuY-4ho7A:
23.26
4qwuZ-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
 1.15A 4qwuY-4i4iA:
undetectable
4qwuZ-4i4iA:
undetectable		 4qwuY-4i4iA:
21.12
4qwuZ-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
 1.11A 4qwuY-4i70A:
undetectable
4qwuZ-4i70A:
undetectable		 4qwuY-4i70A:
19.52
4qwuZ-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.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		5 ALA A 281
ALA A 322
GLY A 254
GLY A 278
ASP A 340
 None
None
None
None
IMP  A 501 (-2.3A)
 1.12A 4qwuY-4ix2A:
undetectable
4qwuZ-4ix2A:
undetectable		 4qwuY-4ix2A:
22.61
4qwuZ-4ix2A:
20.05
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 THR A 290
ALA A 192
ALA A 191
GLY A 169
GLY A 168
 None
 1.17A 4qwuY-4kpnA:
undetectable
4qwuZ-4kpnA:
undetectable		 4qwuY-4kpnA:
22.60
4qwuZ-4kpnA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.12A 4qwuY-4kpoA:
undetectable
4qwuZ-4kpoA:
undetectable		 4qwuY-4kpoA:
19.94
4qwuZ-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)
 1.15A 4qwuY-4lafA:
undetectable
4qwuZ-4lafA:
undetectable		 4qwuY-4lafA:
21.19
4qwuZ-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.
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
 1.15A 4qwuY-4my5A:
undetectable
4qwuZ-4my5A:
undetectable		 4qwuY-4my5A:
17.97
4qwuZ-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.
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)
 1.14A 4qwuY-4pj1A:
undetectable
4qwuZ-4pj1A:
undetectable		 4qwuY-4pj1A:
16.19
4qwuZ-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
 1.03A 4qwuY-4qhbA:
undetectable
4qwuZ-4qhbA:
undetectable		 4qwuY-4qhbA:
20.05
4qwuZ-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 4qwuY-4qt8B:
undetectable
4qwuZ-4qt8B:
undetectable		 4qwuY-4qt8B:
15.89
4qwuZ-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
 0.53A 4qwuY-4qv9K:
38.6
4qwuZ-4qv9K:
23.4		 4qwuY-4qv9K:
99.06
4qwuZ-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)
 1.14A 4qwuY-4rslA:
undetectable
4qwuZ-4rslA:
undetectable		 4qwuY-4rslA:
17.41
4qwuZ-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.
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
 1.11A 4qwuY-4wr2A:
undetectable
4qwuZ-4wr2A:
undetectable		 4qwuY-4wr2A:
20.77
4qwuZ-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.
4x2r 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Actinomyces
urogenitalis) 		PF00977
(His_biosynth) 		5 THR A 149
ALA A 105
ALA A 104
GLY A 144
GLY A 143
 None
 1.11A 4qwuY-4x2rA:
undetectable
4qwuZ-4x2rA:
undetectable		 4qwuY-4x2rA:
22.14
4qwuZ-4x2rA:
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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ALA A 249
THR A 248
ALA A 250
GLY A  38
GLY A  39
 None
 1.11A 4qwuY-4x8fA:
undetectable
4qwuZ-4x8fA:
undetectable		 4qwuY-4x8fA:
19.81
4qwuZ-4x8fA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 4qwuY-4x9sA:
undetectable
4qwuZ-4x9sA:
undetectable		 4qwuY-4x9sA:
22.83
4qwuZ-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.
5ahm INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH) 		5 ALA A 278
ALA A 319
GLY A 251
GLY A 275
ASP A 337
 None
None
None
None
IMP  A 501 (-2.6A)
 1.14A 4qwuY-5ahmA:
undetectable
4qwuZ-5ahmA:
undetectable		 4qwuY-5ahmA:
19.07
4qwuZ-5ahmA:
19.06
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 ALA A 746
ALA A 745
GLY A 735
GLY A 738
ASP A 721
 None
None
None
None
MF4  A2001 ( 4.5A)
 1.15A 4qwuY-5aw4A:
undetectable
4qwuZ-5aw4A:
undetectable		 4qwuY-5aw4A:
13.05
4qwuZ-5aw4A:
12.78
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.
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
 1.11A 4qwuY-5b58A:
undetectable
4qwuZ-5b58A:
undetectable		 4qwuY-5b58A:
19.90
4qwuZ-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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		5 ALA A 396
THR A 375
ALA A 374
GLY A 275
GLY A 273
 None
MLI  A 805 ( 4.1A)
None
None
EDO  A 809 (-4.0A)
 1.14A 4qwuY-5bv9A:
undetectable
4qwuZ-5bv9A:
undetectable		 4qwuY-5bv9A:
16.22
4qwuZ-5bv9A:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 4qwuY-5cxwA:
undetectable
4qwuZ-5cxwA:
undetectable		 4qwuY-5cxwA:
21.36
4qwuZ-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
 0.43A 4qwuY-5fg9H:
21.0
4qwuZ-5fg9H:
23.3		 4qwuY-5fg9H:
29.22
4qwuZ-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)
 1.38A 4qwuY-5fmgI:
16.7
4qwuZ-5fmgI:
23.5		 4qwuY-5fmgI:
26.29
4qwuZ-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)
 1.19A 4qwuY-5fmgI:
16.7
4qwuZ-5fmgI:
23.5		 4qwuY-5fmgI:
26.29
4qwuZ-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 4qwuY-5guhA:
undetectable
4qwuZ-5guhA:
undetectable		 4qwuY-5guhA:
12.62
4qwuZ-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.
5j57 VHH SINGLE CHAIN
ANTIBODY V5E1

(Vicugna pacos) 		PF07686
(V-set) 		5 ALA B  34
THR B  33
ALA B  98
GLY B  55
GLY B  54
 None
 0.91A 4qwuY-5j57B:
undetectable
4qwuZ-5j57B:
undetectable		 4qwuY-5j57B:
23.26
4qwuZ-5j57B:
19.44
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) 		7 THR K   1
ALA K  20
THR K  21
ALA K  27
LYS K  33
MET K  45
GLY K  47
 None
 0.85A 4qwuY-5l5wK:
24.1
4qwuZ-5l5wK:
23.6		 4qwuY-5l5wK:
82.08
4qwuZ-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
 1.16A 4qwuY-5l9wB:
undetectable
4qwuZ-5l9wB:
undetectable		 4qwuY-5l9wB:
17.06
4qwuZ-5l9wB:
15.00
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.
5lsm FMN-DEPENDENT
NITRONATE
MONOOXYGENASE

(Shewanella
oneidensis) 		PF03060
(NMO) 		5 THR A 223
ALA A 227
ALA A 232
GLY A 217
GLY A 216
 None
None
None
FMN  A 401 (-3.6A)
FMN  A 401 (-3.5A)
 1.14A 4qwuY-5lsmA:
undetectable
4qwuZ-5lsmA:
undetectable		 4qwuY-5lsmA:
20.22
4qwuZ-5lsmA:
20.05
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 4qwuY-5m2bK:
25.2
4qwuZ-5m2bK:
23.9		 4qwuY-5m2bK:
76.42
4qwuZ-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.
5mcs LIPOPROTEIN
CYTOCHROME C, 1
HEME-BINDING SITE

(Geobacter
sulfurreducens) 		PF13442
(Cytochrome_CBB3) 		5 ALA A  32
THR A  33
ALA A  36
GLY A  26
GLY A  27
 None
 1.08A 4qwuY-5mcsA:
undetectable
4qwuZ-5mcsA:
undetectable		 4qwuY-5mcsA:
16.67
4qwuZ-5mcsA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.15A 4qwuY-5oljA:
undetectable
4qwuZ-5oljA:
undetectable		 4qwuY-5oljA:
14.72
4qwuZ-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
 0.92A 4qwuY-5t0gR:
18.7
4qwuZ-5t0gR:
23.8		 4qwuY-5t0gR:
64.90
4qwuZ-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
 0.97A 4qwuY-5t0gR:
18.7
4qwuZ-5t0gR:
23.8		 4qwuY-5t0gR:
64.90
4qwuZ-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.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 ALA A 115
ALA A  64
GLY A 108
GLY A 109
ASP A  69
 None
None
7BZ  A 601 ( 3.6A)
7BZ  A 601 (-3.0A)
None
 1.06A 4qwuY-5thmA:
undetectable
4qwuZ-5thmA:
undetectable		 4qwuY-5thmA:
18.41
4qwuZ-5thmA:
19.27
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.
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
 1.14A 4qwuY-5tsqA:
undetectable
4qwuZ-5tsqA:
undetectable		 4qwuY-5tsqA:
20.70
4qwuZ-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
 0.99A 4qwuY-5vfrR:
19.1
4qwuZ-5vfrR:
23.6		 4qwuY-5vfrR:
undetectable
4qwuZ-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
 0.84A 4qwuY-5vfrR:
19.1
4qwuZ-5vfrR:
23.6		 4qwuY-5vfrR:
undetectable
4qwuZ-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
 0.69A 4qwuY-5vfrR:
19.1
4qwuZ-5vfrR:
23.6		 4qwuY-5vfrR:
undetectable
4qwuZ-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.
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
 1.12A 4qwuY-5yhpA:
undetectable
4qwuZ-5yhpA:
undetectable		 4qwuY-5yhpA:
22.94
4qwuZ-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.
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
 0.58A 4qwuY-6avoB:
12.4
4qwuZ-6avoB:
21.2		 4qwuY-6avoB:
20.44
4qwuZ-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)
 1.08A 4qwuY-6avoC:
19.6
4qwuZ-6avoC:
24.7		 4qwuY-6avoC:
65.00
4qwuZ-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)
 0.53A 4qwuY-6avoC:
19.6
4qwuZ-6avoC:
24.7		 4qwuY-6avoC:
65.00
4qwuZ-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 4qwuY-6barA:
undetectable
4qwuZ-6barA:
undetectable		 4qwuY-6barA:
17.77
4qwuZ-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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 ALA A 242
ALA A 263
GLY A 381
GLY A 380
ASP A 297
 None
None
None
None
K  A 405 (-4.2A)
 1.10A 4qwuY-6et9A:
undetectable
4qwuZ-6et9A:
undetectable		 4qwuY-6et9A:
17.92
4qwuZ-6et9A:
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.
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 4qwuY-6eyuA:
undetectable
4qwuZ-6eyuA:
undetectable		 4qwuY-6eyuA:
17.48
4qwuZ-6eyuA:
16.42