SIMILAR PATTERNS OF AMINO ACIDS FOR 4QW1_K_BO2K301

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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 THR B 272
ALA B 298
GLY B 281
GLY B 280
ASP B 362
 None
None
None
None
HAE  B 800 ( 2.5A)
 1.01A 4qw1K-1e9yB:
undetectable
4qw1L-1e9yB:
undetectable		 4qw1K-1e9yB:
17.33
4qw1L-1e9yB:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 4qw1K-1ezrA:
undetectable
4qw1L-1ezrA:
undetectable		 4qw1K-1ezrA:
22.12
4qw1L-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.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		5 THR A 295
GLY A  42
GLY A  45
ALA A  44
SER A 472
 FAD  A 527 (-4.5A)
FAD  A 527 (-3.5A)
None
FAD  A 527 (-3.3A)
None
 0.95A 4qw1K-1f8rA:
undetectable
4qw1L-1f8rA:
undetectable		 4qw1K-1f8rA:
17.67
4qw1L-1f8rA:
18.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.75A 4qw1K-1j2qH:
29.6
4qw1L-1j2qH:
24.9		 4qw1K-1j2qH:
30.37
4qw1L-1j2qH:
26.36
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)
 0.28A 4qw1K-1j2qH:
29.6
4qw1L-1j2qH:
24.9		 4qw1K-1j2qH:
30.37
4qw1L-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.
1n2f ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN

(Pseudomonas
aeruginosa) 		PF02566
(OsmC) 		5 ALA A  22
THR A  13
ALA A  12
GLY A  16
GLY A  17
 None
 1.01A 4qw1K-1n2fA:
undetectable
4qw1L-1n2fA:
undetectable		 4qw1K-1n2fA:
21.82
4qw1L-1n2fA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 None
 0.67A 4qw1K-1q5qH:
26.3
4qw1L-1q5qH:
22.7		 4qw1K-1q5qH:
27.92
4qw1L-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) 		7 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.41A 4qw1K-1q5qH:
26.3
4qw1L-1q5qH:
22.7		 4qw1K-1q5qH:
27.92
4qw1L-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 ALA H  20
THR H  21
ALA H  27
GLY H  47
ALA H  49
 None
 0.48A 4qw1K-1q5rH:
23.9
4qw1L-1q5rH:
22.4		 4qw1K-1q5rH:
27.59
4qw1L-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.
1vi7 HYPOTHETICAL PROTEIN
YIGZ

(Escherichia
coli) 		PF01205
(UPF0029)
PF09186
(DUF1949) 		5 THR A  99
ALA A 100
GLY A  62
GLY A  96
SER A  93
 None
 0.89A 4qw1K-1vi7A:
undetectable
4qw1L-1vi7A:
undetectable		 4qw1K-1vi7A:
24.48
4qw1L-1vi7A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ALA A 226
THR A 210
ALA A 211
GLY A 244
ALA A 254
 None
 1.00A 4qw1K-1zj9A:
undetectable
4qw1L-1zj9A:
undetectable		 4qw1K-1zj9A:
18.23
4qw1L-1zj9A:
17.76
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.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ALA A 391
THR A 392
GLY A  95
GLY A  96
SER A 462
 None
 0.98A 4qw1K-2e0wA:
undetectable
4qw1L-2e0wA:
2.8		 4qw1K-2e0wA:
17.06
4qw1L-2e0wA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ALA A 391
THR A 392
GLY A  96
GLY A  97
SER A 462
 None
 1.02A 4qw1K-2e0wA:
undetectable
4qw1L-2e0wA:
2.8		 4qw1K-2e0wA:
17.06
4qw1L-2e0wA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
THR H 321
LYS H 333
GLY H 347
ALA H 349
 None
 0.48A 4qw1K-2fhgH:
25.8
4qw1L-2fhgH:
22.6		 4qw1K-2fhgH:
28.35
4qw1L-2fhgH:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hyt TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pectobacterium
atrosepticum) 		PF00440
(TetR_N) 		5 ALA A  60
GLY A 117
GLY A 118
ASP A  67
SER A 123
 None
 1.02A 4qw1K-2hytA:
undetectable
4qw1L-2hytA:
undetectable		 4qw1K-2hytA:
18.18
4qw1L-2hytA:
21.10
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.
2m5y PUTATIVE TUBERCULIN
RELATED PEPTIDE

(Mycobacterium
tuberculosis) 		PF13399
(LytR_C) 		5 THR A  64
THR A  90
ALA A  93
GLY A  60
ALA A  59
 None
 0.73A 4qw1K-2m5yA:
undetectable
4qw1L-2m5yA:
undetectable		 4qw1K-2m5yA:
18.87
4qw1L-2m5yA:
22.37
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.
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
 1.02A 4qw1K-2masA:
undetectable
4qw1L-2masA:
undetectable		 4qw1K-2masA:
21.77
4qw1L-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.
2pne 6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN

(Hypogastrura
harveyi) 		no annotation 5 ALA A  20
ALA A  19
GLY A  79
GLY A  61
ASP A   5
 None
 1.04A 4qw1K-2pneA:
undetectable
4qw1L-2pneA:
undetectable		 4qw1K-2pneA:
17.45
4qw1L-2pneA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r6h NADH:UBIQUINONE
OXIDOREDUCTASE, NA
TRANSLOCATING, F
SUBUNIT

(Porphyromonas
gingivalis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ALA A 291
ALA A 214
GLY A 286
GLY A 287
ALA A 288
 FAD  A   1 ( 3.9A)
None
None
None
FAD  A   1 ( 3.7A)
 0.85A 4qw1K-2r6hA:
undetectable
4qw1L-2r6hA:
undetectable		 4qw1K-2r6hA:
20.34
4qw1L-2r6hA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		5 THR A  49
ALA A 359
GLY A  89
GLY A  88
ASP A 372
 None
 0.95A 4qw1K-2ragA:
undetectable
4qw1L-2ragA:
undetectable		 4qw1K-2ragA:
20.43
4qw1L-2ragA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rqw BUD EMERGENCE
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00018
(SH3_1) 		5 THR A 175
ALA A 168
GLY A 202
GLY A 203
ASP A 172
 None
 0.99A 4qw1K-2rqwA:
undetectable
4qw1L-2rqwA:
undetectable		 4qw1K-2rqwA:
20.37
4qw1L-2rqwA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5n CATION-INDEPENDENT
MANNOSE-6-PHOSPHATE
RECEPTOR

(Homo sapiens) 		PF00878
(CIMR) 		5 THR A1539
ALA A1540
GLY A1564
ALA A1565
SER A1608
 None
 0.93A 4qw1K-2v5nA:
undetectable
4qw1L-2v5nA:
undetectable		 4qw1K-2v5nA:
20.06
4qw1L-2v5nA:
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.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		5 ALA A  79
THR A  76
ALA A  78
GLY A 146
SER A 154
 None
 1.00A 4qw1K-3bfgA:
undetectable
4qw1L-3bfgA:
undetectable		 4qw1K-3bfgA:
21.98
4qw1L-3bfgA:
21.38
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.
3faj PUTATIVE
UNCHARACTERIZED
PROTEIN

(Acidianus
two-tailed
virus) 		no annotation 5 ALA A  43
ALA A  46
GLY A  14
GLY A  13
ALA A  12
 None
 0.97A 4qw1K-3fajA:
undetectable
4qw1L-3fajA:
undetectable		 4qw1K-3fajA:
22.51
4qw1L-3fajA:
21.55
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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 ALA A 174
ALA A 173
GLY A 152
GLY A 151
SER A 123
 None
 0.98A 4qw1K-3g5iA:
undetectable
4qw1L-3g5iA:
undetectable		 4qw1K-3g5iA:
23.78
4qw1L-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.
3hn7 UDP-N-ACETYLMURAMATE
-L-ALANINE LIGASE

(Psychrobacter
arcticus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 345
THR A 344
ALA A 348
GLY A 339
ALA A 335
 None
 1.03A 4qw1K-3hn7A:
undetectable
4qw1L-3hn7A:
undetectable		 4qw1K-3hn7A:
17.87
4qw1L-3hn7A:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifr CARBOHYDRATE KINASE,
FGGY

(Rhodospirillum
rubrum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 441
ALA A 438
GLY A 241
GLY A 242
ALA A 243
 None
 1.00A 4qw1K-3ifrA:
undetectable
4qw1L-3ifrA:
undetectable		 4qw1K-3ifrA:
18.86
4qw1L-3ifrA:
19.83
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.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 ALA A  99
THR A  98
ALA A 120
GLY A  44
GLY A  45
 None
 0.78A 4qw1K-3lkiA:
undetectable
4qw1L-3lkiA:
undetectable		 4qw1K-3lkiA:
20.12
4qw1L-3lkiA:
20.72
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.
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
 0.98A 4qw1K-3mg6N:
29.1
4qw1L-3mg6N:
25.5		 4qw1K-3mg6N:
26.70
4qw1L-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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 6 THR N   1
THR N  21
ALA N  27
LYS N  33
GLY N  47
ALA N  49
 None
 0.58A 4qw1K-3mg6N:
29.1
4qw1L-3mg6N:
25.5		 4qw1K-3mg6N:
26.70
4qw1L-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.
3mpi GLUTARYL-COA
DEHYDROGENASE

(Desulfococcus
multivorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 302
ALA A 305
GLY A 253
GLY A 252
ALA A 251
 None
 0.99A 4qw1K-3mpiA:
undetectable
4qw1L-3mpiA:
undetectable		 4qw1K-3mpiA:
19.29
4qw1L-3mpiA:
22.22
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.
3nwa ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA B 211
THR B 221
ALA B 222
ALA B 190
ASP B 188
 None
 0.97A 4qw1K-3nwaB:
undetectable
4qw1L-3nwaB:
undetectable		 4qw1K-3nwaB:
13.95
4qw1L-3nwaB:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oky PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		5 ALA A 357
GLY A 466
GLY A 467
ALA A 460
SER A 444
 None
 0.95A 4qw1K-3okyA:
undetectable
4qw1L-3okyA:
undetectable		 4qw1K-3okyA:
14.71
4qw1L-3okyA:
17.41
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.
3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.04A 4qw1K-3pk0A:
undetectable
4qw1L-3pk0A:
undetectable		 4qw1K-3pk0A:
22.47
4qw1L-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.
3rij SC_2CX5

(Thermus
thermophilus) 		PF04073
(tRNA_edit) 		5 ALA A  87
ALA A  91
GLY A  56
GLY A  59
ALA A  60
 None
 0.98A 4qw1K-3rijA:
undetectable
4qw1L-3rijA:
undetectable		 4qw1K-3rijA:
22.83
4qw1L-3rijA:
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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		6 ALA A  97
THR A 103
ALA A  88
GLY A 106
GLY A  92
ALA A  95
 None
 1.44A 4qw1K-3s6lA:
undetectable
4qw1L-3s6lA:
undetectable		 4qw1K-3s6lA:
21.72
4qw1L-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.
3ty6 ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Bacillus
anthracis) 		PF00227
(Proteasome) 		5 THR A 171
ALA A  21
GLY A 132
GLY A 133
ALA A 136
 None
 1.01A 4qw1K-3ty6A:
20.0
4qw1L-3ty6A:
17.5		 4qw1K-3ty6A:
27.36
4qw1L-3ty6A:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		5 ALA A 113
THR A 112
ALA A 133
GLY A  58
GLY A  59
 None
None
None
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
 1.02A 4qw1K-3uboA:
undetectable
4qw1L-3uboA:
undetectable		 4qw1K-3uboA:
23.10
4qw1L-3uboA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 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)
04C  H 301 (-3.6A)
 0.53A 4qw1K-3unfH:
30.8
4qw1L-3unfH:
25.8		 4qw1K-3unfH:
25.74
4qw1L-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) 		7 THR L   1
ALA L  20
ALA L  27
LYS L  33
GLY L  47
GLY L  48
ALA L  49
 None
 0.64A 4qw1K-3wxrL:
38.4
4qw1L-3wxrL:
23.4		 4qw1K-3wxrL:
99.53
4qw1L-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) 		7 THR L   1
ALA L  20
THR L  21
ALA L  27
LYS L  33
GLY L  47
ALA L  49
 None
 0.69A 4qw1K-3wxrL:
38.4
4qw1L-3wxrL:
23.4		 4qw1K-3wxrL:
99.53
4qw1L-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
LYS L  33
GLY L  47
 None
 0.92A 4qw1K-3wxrL:
38.4
4qw1L-3wxrL:
23.4		 4qw1K-3wxrL:
99.53
4qw1L-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.
3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP

(Salmonella
enterica) 		PF00814
(Peptidase_M22) 		5 ALA B 165
GLY B 137
GLY B 138
ALA B 161
SER B 157
 None
ADP  B1343 (-3.5A)
AGS  B1342 (-3.2A)
None
None
 0.89A 4qw1K-3zeuB:
undetectable
4qw1L-3zeuB:
undetectable		 4qw1K-3zeuB:
21.96
4qw1L-3zeuB:
21.36
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.
4bev COPPER EFFLUX ATPASE

(Legionella
pneumophila) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ALA A 190
GLY A 155
GLY A 157
ALA A 159
SER A 163
 None
 1.04A 4qw1K-4bevA:
undetectable
4qw1L-4bevA:
undetectable		 4qw1K-4bevA:
15.67
4qw1L-4bevA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ALA A1490
THR A1489
GLY A1496
GLY A1495
ALA A1494
 None
 1.02A 4qw1K-4c6oA:
undetectable
4qw1L-4c6oA:
undetectable		 4qw1K-4c6oA:
20.06
4qw1L-4c6oA:
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 THR A 201
ALA A 196
ALA A 165
GLY A 228
GLY A 227
 None
 0.99A 4qw1K-4cjaA:
undetectable
4qw1L-4cjaA:
undetectable		 4qw1K-4cjaA:
14.19
4qw1L-4cjaA:
15.55
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.
4dhz UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans;
Homo sapiens) 		PF10275
(Peptidase_C65) 		5 ALA A  64
GLY A 242
GLY A 243
ALA A 239
ASP A 235
 None
 1.01A 4qw1K-4dhzA:
undetectable
4qw1L-4dhzA:
undetectable		 4qw1K-4dhzA:
22.74
4qw1L-4dhzA:
20.46
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 ALA A 111
THR A 110
ALA A 131
GLY A  56
GLY A  57
 None
None
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
 1.01A 4qw1K-4e3aA:
undetectable
4qw1L-4e3aA:
undetectable		 4qw1K-4e3aA:
21.64
4qw1L-4e3aA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		6 THR A   1
ALA A  20
THR A  21
LYS A  33
GLY A  48
GLY A  49
 None
 0.65A 4qw1K-4g4eA:
21.0
4qw1L-4g4eA:
17.7		 4qw1K-4g4eA:
27.60
4qw1L-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 162
ALA A  15
GLY A 125
GLY A 126
ALA A 129
 None
 0.99A 4qw1K-4g4eA:
21.0
4qw1L-4g4eA:
17.7		 4qw1K-4g4eA:
27.60
4qw1L-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.
4g6b CITRATE SYNTHASE

(Escherichia
coli) 		PF00285
(Citrate_synt) 		5 THR A 138
ALA A 250
ALA A 246
GLY A 255
ALA A 254
 None
 0.94A 4qw1K-4g6bA:
undetectable
4qw1L-4g6bA:
undetectable		 4qw1K-4g6bA:
18.35
4qw1L-4g6bA:
20.28
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.
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
 0.64A 4qw1K-4ho7A:
20.9
4qw1L-4ho7A:
17.0		 4qw1K-4ho7A:
22.79
4qw1L-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.
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
 1.03A 4qw1K-4i70A:
undetectable
4qw1L-4i70A:
undetectable		 4qw1K-4i70A:
19.52
4qw1L-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.
4k5r OXYGENASE

(Streptomyces
argillaceus) 		PF01494
(FAD_binding_3) 		5 ALA A 124
ALA A 121
GLY A  35
GLY A  34
ALA A  33
 None
 0.87A 4qw1K-4k5rA:
undetectable
4qw1L-4k5rA:
undetectable		 4qw1K-4k5rA:
17.08
4qw1L-4k5rA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.00A 4qw1K-4mifA:
undetectable
4qw1L-4mifA:
undetectable		 4qw1K-4mifA:
16.39
4qw1L-4mifA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F

(Vibrio cholerae) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ALA F 286
ALA F 215
GLY F 281
GLY F 282
ALA F 283
 FAD  F 502 ( 4.6A)
None
None
None
FAD  F 502 ( 4.0A)
 0.94A 4qw1K-4p6vF:
undetectable
4qw1L-4p6vF:
undetectable		 4qw1K-4p6vF:
21.87
4qw1L-4p6vF:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p98 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Conexibacter
woesei) 		PF02608
(Bmp) 		5 THR A 174
ALA A 173
GLY A 148
GLY A 181
ALA A 180
 None
BR  A 406 ( 4.7A)
None
None
BR  A 421 (-4.1A)
 0.99A 4qw1K-4p98A:
undetectable
4qw1L-4p98A:
undetectable		 4qw1K-4p98A:
20.91
4qw1L-4p98A:
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		5 THR A  83
ALA A  39
ALA A  57
GLY A  36
ALA A  34
 None
SAH  A 301 ( 4.4A)
None
None
None
 1.01A 4qw1K-4pneA:
undetectable
4qw1L-4pneA:
undetectable		 4qw1K-4pneA:
20.51
4qw1L-4pneA:
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.
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
 1.04A 4qw1K-4qhbA:
undetectable
4qw1L-4qhbA:
undetectable		 4qw1K-4qhbA:
20.32
4qw1L-4qhbA:
23.08
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) 		5 ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
 None
 0.82A 4qw1K-4qv9K:
39.2
4qw1L-4qv9K:
23.6		 4qw1K-4qv9K:
99.06
4qw1L-4qv9K:
21.58
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) 		8 THR K   1
ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
GLY K  48
ALA K  49
 None
 0.54A 4qw1K-4qv9K:
39.2
4qw1L-4qv9K:
23.6		 4qw1K-4qv9K:
99.06
4qw1L-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.
4rmf ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycolicibacterium
smegmatis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ALA A 446
GLY A 485
GLY A 486
ALA A 473
SER A 471
 None
3SY  A 701 ( 3.3A)
FMT  A 702 (-3.2A)
None
None
 1.04A 4qw1K-4rmfA:
undetectable
4qw1L-4rmfA:
undetectable		 4qw1K-4rmfA:
16.55
4qw1L-4rmfA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 ALA A 399
THR A 400
GLY A  89
GLY A  90
SER A 460
 None
None
None
None
NA  A 601 ( 4.4A)
 0.97A 4qw1K-4y23A:
2.7
4qw1L-4y23A:
3.4		 4qw1K-4y23A:
18.87
4qw1L-4y23A:
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.
5b3k UNCHARACTERIZED
PROTEIN PA3435

(Pseudomonas
aeruginosa) 		PF00258
(Flavodoxin_1) 		5 THR A  55
ALA A 127
GLY A 103
GLY A 102
ALA A 101
 None
 1.04A 4qw1K-5b3kA:
undetectable
4qw1L-5b3kA:
undetectable		 4qw1K-5b3kA:
22.37
4qw1L-5b3kA:
19.11
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.
5c54 DIHYDRODIPICOLINATE
SYNTHASE/N-ACETYLNEU
RAMINATE LYASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		5 ALA A  79
THR A  78
ALA A  45
GLY A 100
ALA A  99
 None
 0.97A 4qw1K-5c54A:
undetectable
4qw1L-5c54A:
undetectable		 4qw1K-5c54A:
23.55
4qw1L-5c54A:
19.56
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.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		5 ALA A 184
THR A 183
ALA A 181
GLY A 189
ALA A 148
 None
 0.95A 4qw1K-5d8wA:
undetectable
4qw1L-5d8wA:
undetectable		 4qw1K-5d8wA:
20.06
4qw1L-5d8wA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp)
PF01740
(STAS) 		5 ALA A  82
ALA A  46
MET A 284
GLY A 281
ALA A  77
 None
 0.99A 4qw1K-5da0A:
undetectable
4qw1L-5da0A:
undetectable		 4qw1K-5da0A:
19.08
4qw1L-5da0A:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp)
PF01740
(STAS) 		5 ALA A  82
ALA A  46
MET A 284
GLY A 281
ALA A  77
 None
 1.01A 4qw1K-5da0A:
undetectable
4qw1L-5da0A:
undetectable		 4qw1K-5da0A:
19.08
4qw1L-5da0A:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dip ALKYL HYDROPEROXIDE
REDUCTASE AHPD

(Legionella
pneumophila) 		PF02627
(CMD) 		5 ALA A 101
ALA A 104
GLY A  94
GLY A  93
ALA A  89
 None
 1.00A 4qw1K-5dipA:
undetectable
4qw1L-5dipA:
undetectable		 4qw1K-5dipA:
20.77
4qw1L-5dipA:
16.74
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.47A 4qw1K-5fg9H:
20.1
4qw1L-5fg9H:
23.4		 4qw1K-5fg9H:
28.81
4qw1L-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) 		7 THR I   1
ALA I  20
THR I  21
ALA I  27
LYS I  33
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 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 1.11A 4qw1K-5fmgI:
28.0
4qw1L-5fmgI:
23.8		 4qw1K-5fmgI:
26.29
4qw1L-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 PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
 7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
 0.96A 4qw1K-5fmgI:
28.0
4qw1L-5fmgI:
23.8		 4qw1K-5fmgI:
26.29
4qw1L-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 PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 THR I   1
ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.80A 4qw1K-5fmgI:
28.0
4qw1L-5fmgI:
23.8		 4qw1K-5fmgI:
26.29
4qw1L-5fmgI:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR L   1
ALA L  20
GLY L  47
GLY L  48
ALA L  49
 None
 0.55A 4qw1K-5fmgL:
28.4
4qw1L-5fmgL:
23.9		 4qw1K-5fmgL:
47.42
4qw1L-5fmgL:
23.53
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.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp) 		5 ALA A  82
ALA A  46
MET A 284
GLY A 281
ALA A  77
 None
 0.99A 4qw1K-5iofA:
undetectable
4qw1L-5iofA:
undetectable		 4qw1K-5iofA:
20.15
4qw1L-5iofA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp) 		5 ALA A  82
ALA A  46
MET A 284
GLY A 281
ALA A  77
 None
 1.01A 4qw1K-5iofA:
undetectable
4qw1L-5iofA:
undetectable		 4qw1K-5iofA:
20.15
4qw1L-5iofA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l5g PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 ALA A 357
GLY A 466
GLY A 467
ALA A 460
SER A 444
 None
 0.97A 4qw1K-5l5gA:
undetectable
4qw1L-5l5gA:
undetectable		 4qw1K-5l5gA:
10.39
4qw1L-5l5gA:
9.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR K   1
ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
GLY K  48
ALA K  49
 None
 0.72A 4qw1K-5l5wK:
37.8
4qw1L-5l5wK:
23.8		 4qw1K-5l5wK:
82.08
4qw1L-5l5wK:
23.93
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)
 0.92A 4qw1K-5m2bK:
38.2
4qw1L-5m2bK:
24.1		 4qw1K-5m2bK:
76.42
4qw1L-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) 		6 THR K   1
ALA K  20
LYS K  33
MET K  45
GLY K  47
ALA K  49
 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)
7DX  K 301 (-3.2A)
 0.52A 4qw1K-5m2bK:
38.2
4qw1L-5m2bK:
24.1		 4qw1K-5m2bK:
76.42
4qw1L-5m2bK:
23.50
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
 0.86A 4qw1K-5t0gR:
32.2
4qw1L-5t0gR:
24.0		 4qw1K-5t0gR:
64.90
4qw1L-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) 		6 THR R   1
ALA R  20
LYS R  33
GLY R  47
GLY R  48
ALA R  49
 None
 0.86A 4qw1K-5t0gR:
32.2
4qw1L-5t0gR:
24.0		 4qw1K-5t0gR:
64.90
4qw1L-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
ALA R  20
THR R  21
ALA R  27
LYS R  33
 None
 0.80A 4qw1K-5t0gR:
32.2
4qw1L-5t0gR:
24.0		 4qw1K-5t0gR:
64.90
4qw1L-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
ALA R  20
THR R  21
LYS R  33
ALA R  49
 None
 0.98A 4qw1K-5t0gR:
32.2
4qw1L-5t0gR:
24.0		 4qw1K-5t0gR:
64.90
4qw1L-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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 421
ALA A 509
GLY A 424
GLY A 468
ALA A 466
 None
 1.03A 4qw1K-5tf0A:
undetectable
4qw1L-5tf0A:
undetectable		 4qw1K-5tf0A:
13.67
4qw1L-5tf0A:
15.44
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.
5tsb MEMBRANE PROTEIN

(Bordetella
bronchiseptica) 		PF02535
(Zip) 		5 ALA A  59
ALA A 244
GLY A 192
ALA A 190
SER A 251
 None
 0.95A 4qw1K-5tsbA:
undetectable
4qw1L-5tsbA:
undetectable		 4qw1K-5tsbA:
22.33
4qw1L-5tsbA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 8 THR R   1
ALA R  20
THR R  21
ALA R  27
LYS R  33
GLY R  47
GLY R  48
ALA R  49
 None
 0.61A 4qw1K-5vfrR:
33.0
4qw1L-5vfrR:
23.8		 4qw1K-5vfrR:
undetectable
4qw1L-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.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		5 ALA A 397
ALA A 393
GLY A 176
GLY A 244
ALA A 245
 None
 1.00A 4qw1K-5vlhA:
undetectable
4qw1L-5vlhA:
undetectable		 4qw1K-5vlhA:
18.74
4qw1L-5vlhA:
21.10
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		6 ALA A 146
ALA A 141
GLY A 113
GLY A 114
ALA A 109
SER A 255
 None
 1.43A 4qw1K-5vpuA:
undetectable
4qw1L-5vpuA:
undetectable		 4qw1K-5vpuA:
17.20
4qw1L-5vpuA:
18.50
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 5 ALA A 140
ALA A 141
GLY A 178
GLY A 179
ALA A  14
 None
 1.00A 4qw1K-5wgcA:
undetectable
4qw1L-5wgcA:
undetectable		 4qw1K-5wgcA:
20.51
4qw1L-5wgcA:
15.61
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ALA A1028
ALA A 997
GLY A1001
GLY A1002
ALA A1003
 None
 1.03A 4qw1K-5x7sA:
undetectable
4qw1L-5x7sA:
undetectable		 4qw1K-5x7sA:
10.47
4qw1L-5x7sA:
11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xuo POLYKETIDE SYNTHASE
PKS13

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 819
ALA A 822
GLY A 813
GLY A 812
ALA A 808
 None
 0.77A 4qw1K-5xuoA:
undetectable
4qw1L-5xuoA:
undetectable		 4qw1K-5xuoA:
17.99
4qw1L-5xuoA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 7 THR B   1
ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
ALA B  49
 None
 0.68A 4qw1K-6avoB:
21.3
4qw1L-6avoB:
21.2		 4qw1K-6avoB:
20.44
4qw1L-6avoB:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-10
PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 5 THR A   1
LYS A  33
GLY A  47
ALA A  49
SER B 118
 None
 0.66A 4qw1K-6avoA:
25.1
4qw1L-6avoA:
25.5		 4qw1K-6avoA:
20.28
4qw1L-6avoA:
17.57
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 6 THR C   1
ALA C  20
LYS C  33
MET C  45
GLY C  47
ALA C  49
 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)
BZ7  C 301 (-2.8A)
 0.54A 4qw1K-6avoC:
34.3
4qw1L-6avoC:
24.9		 4qw1K-6avoC:
65.00
4qw1L-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.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA A 211
THR A 221
ALA A 222
ALA A 190
ASP A 188
 None
 0.99A 4qw1K-6bm8A:
undetectable
4qw1L-6bm8A:
undetectable		 4qw1K-6bm8A:
15.09
4qw1L-6bm8A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6byn WD REPEAT-CONTAINING
PROTEIN 5

(Homo sapiens) 		no annotation 5 ALA W 317
ALA W 308
GLY W  77
GLY W  73
ALA W  74
 None
 0.97A 4qw1K-6bynW:
undetectable
4qw1L-6bynW:
undetectable		 4qw1K-6bynW:
20.11
4qw1L-6bynW:
18.31
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 ALA A  70
THR A 265
ALA A 268
GLY A  78
SER A  82
 None
 1.01A 4qw1K-6cboA:
undetectable
4qw1L-6cboA:
undetectable		 4qw1K-6cboA:
25.93
4qw1L-6cboA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dfp VCA0883

(Vibrio cholerae) 		no annotation 5 THR A  23
ALA A 196
GLY A 232
ALA A 233
SER A 235
 None
 1.04A 4qw1K-6dfpA:
undetectable
4qw1L-6dfpA:
undetectable		 4qw1K-6dfpA:
20.41
4qw1L-6dfpA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 5 ALA C  59
THR C  58
ALA C  57
GLY C  65
ALA C  63
 None
 0.85A 4qw1K-6gbhC:
undetectable
4qw1L-6gbhC:
undetectable		 4qw1K-6gbhC:
15.12
4qw1L-6gbhC:
16.04