SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVP_K_BO2K301_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.02A 4qvpK-1e9yB:
undetectable
4qvpL-1e9yB:
undetectable		 4qvpK-1e9yB:
17.15
4qvpL-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 4qvpK-1ezrA:
undetectable
4qvpL-1ezrA:
undetectable		 4qvpK-1ezrA:
22.43
4qvpL-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.
1gey HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ALA A 186
THR A 226
GLY A 224
GLY A  83
ALA A  84
 PPE  A 413 (-3.6A)
None
PPE  A 413 ( 4.9A)
PPE  A 413 (-3.4A)
PPE  A 413 (-3.7A)
 0.96A 4qvpK-1geyA:
undetectable
4qvpL-1geyA:
undetectable		 4qvpK-1geyA:
19.50
4qvpL-1geyA:
20.39
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 ALA H  20
THR H  21
ALA H  27
LYS H  33
THR H  45
GLY H  47
 CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
None
CIB  H1001 (-4.4A)
 0.87A 4qvpK-1j2qH:
29.6
4qvpL-1j2qH:
24.6		 4qvpK-1j2qH:
30.84
4qvpL-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) 		7 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
THR H  45
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
None
CIB  H1001 (-4.4A)
 0.44A 4qvpK-1j2qH:
29.6
4qvpL-1j2qH:
24.6		 4qvpK-1j2qH:
30.84
4qvpL-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 4qvpK-1n2fA:
undetectable
4qvpL-1n2fA:
undetectable		 4qvpK-1n2fA:
23.08
4qvpL-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.
1nb2 NUCLEOSIDE
DIPHOSPHATE KINASE

(Virgibacillus
halodenitrificans) 		PF00334
(NDK) 		5 ALA A  85
THR A  84
ALA A  82
GLY A  90
ASP A 119
 None
 1.06A 4qvpK-1nb2A:
undetectable
4qvpL-1nb2A:
undetectable		 4qvpK-1nb2A:
22.48
4qvpL-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 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 None
 0.67A 4qvpK-1q5qH:
26.3
4qvpL-1q5qH:
22.4		 4qvpK-1q5qH:
28.40
4qvpL-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
 0.39A 4qvpK-1q5qH:
26.3
4qvpL-1q5qH:
22.4		 4qvpK-1q5qH:
28.40
4qvpL-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
 0.50A 4qvpK-1q5rH:
23.8
4qvpL-1q5rH:
22.2		 4qvpK-1q5rH:
28.09
4qvpL-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
 1.05A 4qvpK-1q8fA:
undetectable
4qvpL-1q8fA:
undetectable		 4qvpK-1q8fA:
21.20
4qvpL-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.
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
 0.98A 4qvpK-1zj9A:
undetectable
4qvpL-1zj9A:
undetectable		 4qvpK-1zj9A:
18.41
4qvpL-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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 ALA A 262
ALA A 267
THR A 276
GLY A 257
ALA A 250
 None
 1.05A 4qvpK-2bb0A:
undetectable
4qvpL-2bb0A:
undetectable		 4qvpK-2bb0A:
18.93
4qvpL-2bb0A:
19.33
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.
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
 0.46A 4qvpK-2fhgH:
25.8
4qvpL-2fhgH:
22.3		 4qvpK-2fhgH:
28.11
4qvpL-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.
2hzk TRAP-T FAMILY
SORBITOL/MANNITOL
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, SMOM

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		5 ALA A 112
ALA A 109
THR A 153
GLY A 242
GLY A 241
 None
 0.90A 4qvpK-2hzkA:
undetectable
4qvpL-2hzkA:
undetectable		 4qvpK-2hzkA:
23.17
4qvpL-2hzkA:
19.40
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.
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 4qvpK-2m5yA:
undetectable
4qvpL-2m5yA:
undetectable		 4qvpK-2m5yA:
20.28
4qvpL-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 4qvpK-2masA:
undetectable
4qvpL-2masA:
undetectable		 4qvpK-2masA:
22.08
4qvpL-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.
2p12 HYPOTHETICAL PROTEIN
DUF402

(Rhodococcus
jostii) 		PF04167
(DUF402) 		6 ALA A 137
THR A 136
ALA A 140
THR A 128
GLY A 130
ALA A 126
 None
 1.14A 4qvpK-2p12A:
undetectable
4qvpL-2p12A:
undetectable		 4qvpK-2p12A:
20.47
4qvpL-2p12A:
21.96
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.
2p5u UDP-GLUCOSE
4-EPIMERASE

(Thermus
thermophilus) 		PF01370
(Epimerase) 		5 ALA A  74
THR A   6
GLY A  97
GLY A  96
ASP A  51
 NAD  A1118 (-3.5A)
None
None
None
NAD  A1118 (-3.0A)
 1.01A 4qvpK-2p5uA:
undetectable
4qvpL-2p5uA:
undetectable		 4qvpK-2p5uA:
22.47
4qvpL-2p5uA:
22.60
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.
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 4qvpK-2pneA:
undetectable
4qvpL-2pneA:
undetectable		 4qvpK-2pneA:
16.04
4qvpL-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 4qvpK-2r6hA:
undetectable
4qvpL-2r6hA:
undetectable		 4qvpK-2r6hA:
20.34
4qvpL-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 4qvpK-2ragA:
undetectable
4qvpL-2ragA:
undetectable		 4qvpK-2ragA:
20.38
4qvpL-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
 0.97A 4qvpK-2rqwA:
undetectable
4qvpL-2rqwA:
undetectable		 4qvpK-2rqwA:
20.83
4qvpL-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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		5 ALA A 204
THR A 248
GLY A 246
GLY A 103
ALA A 104
 None
 0.91A 4qvpK-3asaA:
undetectable
4qvpL-3asaA:
undetectable		 4qvpK-3asaA:
18.64
4qvpL-3asaA:
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.
3bog 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 4qvpK-3bogA:
undetectable
4qvpL-3bogA:
undetectable		 4qvpK-3bogA:
16.04
4qvpL-3bogA:
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.
3ei8 LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		5 ALA A 239
THR A 282
GLY A 280
GLY A 127
ALA A 128
 PLP  A 433 ( 4.3A)
None
None
PLP  A 433 (-3.3A)
PLP  A 433 (-3.7A)
 0.82A 4qvpK-3ei8A:
undetectable
4qvpL-3ei8A:
undetectable		 4qvpK-3ei8A:
18.76
4qvpL-3ei8A:
21.19
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.
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
 0.99A 4qvpK-3fajA:
undetectable
4qvpL-3fajA:
undetectable		 4qvpK-3fajA:
21.99
4qvpL-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.
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
 1.05A 4qvpK-3hn7A:
undetectable
4qvpL-3hn7A:
undetectable		 4qvpK-3hn7A:
17.18
4qvpL-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
 0.99A 4qvpK-3ifrA:
undetectable
4qvpL-3ifrA:
undetectable		 4qvpK-3ifrA:
17.54
4qvpL-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.
3k2q PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Marinobacter
hydrocarbonoclasticus) 		PF00365
(PFK) 		5 ALA A  22
THR A  71
GLY A  73
GLY A  74
ALA A  75
 None
 0.92A 4qvpK-3k2qA:
undetectable
4qvpL-3k2qA:
undetectable		 4qvpK-3k2qA:
21.40
4qvpL-3k2qA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.77A 4qvpK-3lkiA:
undetectable
4qvpL-3lkiA:
undetectable		 4qvpK-3lkiA:
19.77
4qvpL-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 6 THR N   1
THR N  21
ALA N  27
LYS N  33
GLY N  47
ALA N  49
 None
 0.58A 4qvpK-3mg6N:
29.1
4qvpL-3mg6N:
25.1		 4qvpK-3mg6N:
27.18
4qvpL-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
 1.02A 4qvpK-3mpiA:
undetectable
4qvpL-3mpiA:
undetectable		 4qvpK-3mpiA:
19.29
4qvpL-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
 0.96A 4qvpK-3nwaB:
undetectable
4qvpL-3nwaB:
undetectable		 4qvpK-3nwaB:
14.10
4qvpL-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.
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
 0.99A 4qvpK-3rijA:
undetectable
4qvpL-3rijA:
undetectable		 4qvpK-3rijA:
23.96
4qvpL-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
 1.45A 4qvpK-3s6lA:
undetectable
4qvpL-3s6lA:
undetectable		 4qvpK-3s6lA:
22.17
4qvpL-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
 1.00A 4qvpK-3ty6A:
19.8
4qvpL-3ty6A:
17.3		 4qvpK-3ty6A:
27.14
4qvpL-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 4qvpK-3uboA:
undetectable
4qvpL-3uboA:
undetectable		 4qvpK-3uboA:
23.10
4qvpL-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)
 0.55A 4qvpK-3unfH:
30.7
4qvpL-3unfH:
25.5		 4qvpK-3unfH:
26.16
4qvpL-3unfH:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 5 THR A 481
ALA A 433
THR A 434
ALA A 360
ASP A 511
 None
 1.03A 4qvpK-3w36A:
undetectable
4qvpL-3w36A:
undetectable		 4qvpK-3w36A:
17.68
4qvpL-3w36A:
16.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR L   1
ALA L  20
THR L  21
ALA L  27
LYS L  33
GLY L  47
GLY L  48
ALA L  49
 None
 0.72A 4qvpK-3wxrL:
38.0
4qvpL-3wxrL:
23.0		 4qvpK-3wxrL:
99.53
4qvpL-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
 0.91A 4qvpK-3wxrL:
38.0
4qvpL-3wxrL:
23.0		 4qvpK-3wxrL:
99.53
4qvpL-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.
4aoa BETA-PHENYLALANINE
AMINOTRANSFERASE

(Variovorax
paradoxus) 		PF00202
(Aminotran_3) 		5 ALA A 139
THR A 174
GLY A 162
GLY A 161
ASP A 240
 None
None
None
IK2  A1435 (-3.6A)
IK2  A1435 (-2.8A)
 0.97A 4qvpK-4aoaA:
undetectable
4qvpL-4aoaA:
undetectable		 4qvpK-4aoaA:
17.19
4qvpL-4aoaA:
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ALA A1490
THR A1489
GLY A1496
GLY A1495
ALA A1494
 None
 1.03A 4qvpK-4c6oA:
undetectable
4qvpL-4c6oA:
undetectable		 4qvpK-4c6oA:
20.34
4qvpL-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
 1.02A 4qvpK-4cjaA:
undetectable
4qvpL-4cjaA:
undetectable		 4qvpK-4cjaA:
13.74
4qvpL-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 4qvpK-4dhzA:
undetectable
4qvpL-4dhzA:
undetectable		 4qvpK-4dhzA:
22.74
4qvpL-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 4qvpK-4e3aA:
undetectable
4qvpL-4e3aA:
undetectable		 4qvpK-4e3aA:
21.35
4qvpL-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
 0.64A 4qvpK-4g4eA:
20.9
4qvpL-4g4eA:
17.4		 4qvpK-4g4eA:
28.05
4qvpL-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
 0.98A 4qvpK-4g4eA:
20.9
4qvpL-4g4eA:
17.4		 4qvpK-4g4eA:
28.05
4qvpL-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
 0.96A 4qvpK-4g6bA:
undetectable
4qvpL-4g6bA:
undetectable		 4qvpK-4g6bA:
17.88
4qvpL-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
 0.65A 4qvpK-4ho7A:
20.8
4qvpL-4ho7A:
16.8		 4qvpK-4ho7A:
23.26
4qvpL-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
 1.02A 4qvpK-4i70A:
undetectable
4qvpL-4i70A:
undetectable		 4qvpK-4i70A:
19.52
4qvpL-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.
4ius GCN5-RELATED
N-ACETYLTRANSFERASE

(Kribbella
flavida) 		PF00583
(Acetyltransf_1) 		5 ALA A 173
THR A 172
ALA A 203
THR A 176
GLY A 159
 None
None
None
EDO  A 504 (-3.4A)
None
 0.97A 4qvpK-4iusA:
undetectable
4qvpL-4iusA:
undetectable		 4qvpK-4iusA:
21.74
4qvpL-4iusA:
23.27
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.
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
 0.88A 4qvpK-4k5rA:
undetectable
4qvpL-4k5rA:
undetectable		 4qvpK-4k5rA:
16.89
4qvpL-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.
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
 1.04A 4qvpK-4kpoA:
undetectable
4qvpL-4kpoA:
undetectable		 4qvpK-4kpoA:
19.61
4qvpL-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.
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
 1.01A 4qvpK-4mifA:
undetectable
4qvpL-4mifA:
undetectable		 4qvpK-4mifA:
16.55
4qvpL-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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 THR A 446
ALA A 445
THR A 381
GLY A 401
GLY A 402
 None
 1.01A 4qvpK-4om9A:
undetectable
4qvpL-4om9A:
undetectable		 4qvpK-4om9A:
12.80
4qvpL-4om9A:
13.07
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.
4ou4 ALPHA/BETA HYDROLASE
FOLD-3 DOMAIN
PROTEIN

(Pseudomonas sp.
ECU1011) 		PF07859
(Abhydrolase_3) 		5 THR A 252
ALA A 253
GLY A 162
ALA A 159
ASP A 287
 None
 1.04A 4qvpK-4ou4A:
undetectable
4qvpL-4ou4A:
undetectable		 4qvpK-4ou4A:
21.21
4qvpL-4ou4A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.93A 4qvpK-4p6vF:
undetectable
4qvpL-4p6vF:
undetectable		 4qvpK-4p6vF:
21.62
4qvpL-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 4qvpK-4p98A:
undetectable
4qvpL-4p98A:
undetectable		 4qvpK-4p98A:
21.86
4qvpL-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
 1.00A 4qvpK-4pneA:
undetectable
4qvpL-4pneA:
undetectable		 4qvpK-4pneA:
20.51
4qvpL-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 4qvpK-4qhbA:
undetectable
4qvpL-4qhbA:
undetectable		 4qvpK-4qhbA:
20.05
4qvpL-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) 		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 4qvpK-4qv9K:
38.7
4qvpL-4qv9K:
23.2		 4qvpK-4qv9K:
99.06
4qvpL-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.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 5 THR A 115
THR A  95
ALA A  99
GLY A   7
ASP A  75
 None
 1.04A 4qvpK-4yteA:
undetectable
4qvpL-4yteA:
undetectable		 4qvpK-4yteA:
19.82
4qvpL-4yteA:
21.34
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		5 ALA A 505
ALA A 508
GLY A  84
GLY A  98
ALA A 101
 None
 1.04A 4qvpK-4zm6A:
undetectable
4qvpL-4zm6A:
undetectable		 4qvpK-4zm6A:
13.80
4qvpL-4zm6A:
13.49
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.
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 4qvpK-5b3kA:
undetectable
4qvpL-5b3kA:
undetectable		 4qvpK-5b3kA:
22.27
4qvpL-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
 0.95A 4qvpK-5c54A:
undetectable
4qvpL-5c54A:
undetectable		 4qvpK-5c54A:
23.23
4qvpL-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 4qvpK-5d8wA:
undetectable
4qvpL-5d8wA:
undetectable		 4qvpK-5d8wA:
20.82
4qvpL-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.
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 4qvpK-5dipA:
undetectable
4qvpL-5dipA:
undetectable		 4qvpK-5dipA:
20.19
4qvpL-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
 0.49A 4qvpK-5fg9H:
27.9
4qvpL-5fg9H:
23.1		 4qvpK-5fg9H:
29.22
4qvpL-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)
 1.08A 4qvpK-5fmgI:
27.8
4qvpL-5fmgI:
23.5		 4qvpK-5fmgI:
26.29
4qvpL-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)
 0.93A 4qvpK-5fmgI:
27.8
4qvpL-5fmgI:
23.5		 4qvpK-5fmgI:
26.29
4qvpL-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 4qvpK-5fmgI:
27.8
4qvpL-5fmgI:
23.5		 4qvpK-5fmgI:
26.29
4qvpL-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) 		6 ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ALA I  49
 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)
 0.76A 4qvpK-5fmgI:
27.8
4qvpL-5fmgI:
23.5		 4qvpK-5fmgI:
26.29
4qvpL-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) 		6 THR I   1
ALA I  20
THR I  21
ALA I  27
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 (-3.8A)
7F1  I 300 (-3.5A)
 0.55A 4qvpK-5fmgI:
27.8
4qvpL-5fmgI:
23.5		 4qvpK-5fmgI:
26.29
4qvpL-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
 0.54A 4qvpK-5fmgL:
28.3
4qvpL-5fmgL:
23.5		 4qvpK-5fmgL:
47.42
4qvpL-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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A 125
THR A 122
ALA A 124
GLY A 104
ALA A  57
 None
 1.06A 4qvpK-5gmsA:
undetectable
4qvpL-5gmsA:
undetectable		 4qvpK-5gmsA:
22.15
4qvpL-5gmsA:
22.36
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
 0.71A 4qvpK-5l5wK:
37.7
4qvpL-5l5wK:
23.5		 4qvpK-5l5wK:
82.08
4qvpL-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.
5m23 WD REPEAT-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40) 		5 ALA A 317
ALA A 308
GLY A  77
GLY A  73
ALA A  74
 None
 1.05A 4qvpK-5m23A:
undetectable
4qvpL-5m23A:
undetectable		 4qvpK-5m23A:
22.69
4qvpL-5m23A:
19.77
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
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 (-3.2A)
 0.48A 4qvpK-5m2bK:
31.8
4qvpL-5m2bK:
23.8		 4qvpK-5m2bK:
76.42
4qvpL-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.
5sva DNA REPAIR HELICASE
RAD3

(Saccharomyces
cerevisiae) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 THR Y  31
ALA Y  58
THR Y 477
GLY Y  35
GLY Y  36
 None
 0.98A 4qvpK-5svaY:
undetectable
4qvpL-5svaY:
undetectable		 4qvpK-5svaY:
13.72
4qvpL-5svaY:
15.60
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
 0.89A 4qvpK-5t0gR:
32.3
4qvpL-5t0gR:
23.7		 4qvpK-5t0gR:
64.90
4qvpL-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
 0.88A 4qvpK-5t0gR:
32.3
4qvpL-5t0gR:
23.7		 4qvpK-5t0gR:
64.90
4qvpL-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
 0.81A 4qvpK-5t0gR:
32.3
4qvpL-5t0gR:
23.7		 4qvpK-5t0gR:
64.90
4qvpL-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 4qvpK-5t0gR:
32.3
4qvpL-5t0gR:
23.7		 4qvpK-5t0gR:
64.90
4qvpL-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.
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
 0.82A 4qvpK-5vfrR:
33.0
4qvpL-5vfrR:
23.4		 4qvpK-5vfrR:
undetectable
4qvpL-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 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 4qvpK-5vfrR:
33.0
4qvpL-5vfrR:
23.4		 4qvpK-5vfrR:
undetectable
4qvpL-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
 1.02A 4qvpK-5vlhA:
undetectable
4qvpL-5vlhA:
undetectable		 4qvpK-5vlhA:
18.90
4qvpL-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.
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 4qvpK-5wgcA:
undetectable
4qvpL-5wgcA:
undetectable		 4qvpK-5wgcA:
20.51
4qvpL-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
 1.05A 4qvpK-5x7sA:
undetectable
4qvpL-5x7sA:
undetectable		 4qvpK-5x7sA:
10.55
4qvpL-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
 0.80A 4qvpK-5xuoA:
undetectable
4qvpL-5xuoA:
undetectable		 4qvpK-5xuoA:
17.99
4qvpL-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.
5zvt CORE PROTEIN VP6

(Aquareovirus C) 		no annotation 5 THR U  85
ALA U 115
GLY U  82
GLY U  81
ALA U  80
 None
 1.05A 4qvpK-5zvtU:
undetectable
4qvpL-5zvtU:
undetectable		 4qvpK-5zvtU:
15.57
4qvpL-5zvtU:
15.67
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.
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
 0.67A 4qvpK-6avoB:
21.2
4qvpL-6avoB:
21.0		 4qvpK-6avoB:
20.44
4qvpL-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
LYS C  33
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 0.49A 4qvpK-6avoC:
34.3
4qvpL-6avoC:
24.5		 4qvpK-6avoC:
65.00
4qvpL-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)
 1.06A 4qvpK-6barA:
undetectable
4qvpL-6barA:
undetectable		 4qvpK-6barA:
17.26
4qvpL-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.
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
 0.98A 4qvpK-6bm8A:
undetectable
4qvpL-6bm8A:
undetectable		 4qvpK-6bm8A:
15.09
4qvpL-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
 0.96A 4qvpK-6bynW:
undetectable
4qvpL-6bynW:
undetectable		 4qvpK-6bynW:
20.11
4qvpL-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.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 ALA A 169
THR A 170
GLY A 152
GLY A 151
ASP A 128
 None
 1.05A 4qvpK-6cyzA:
undetectable
4qvpL-6cyzA:
undetectable		 4qvpK-6cyzA:
19.00
4qvpL-6cyzA:
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 ALA A 242
ALA A 263
THR A 245
GLY A 381
GLY A 380
 None
 1.03A 4qvpK-6et9A:
undetectable
4qvpL-6et9A:
undetectable		 4qvpK-6et9A:
17.92
4qvpL-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.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 5 ALA C  59
THR C  58
ALA C  57
GLY C  65
ALA C  63
 None
 0.87A 4qvpK-6gbhC:
undetectable
4qvpL-6gbhC:
undetectable		 4qvpK-6gbhC:
15.61
4qvpL-6gbhC:
16.04