SIMILAR PATTERNS OF AMINO ACIDS FOR 4QW3_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)
 1.00A 4qw3K-1e9yB:
undetectable
4qw3L-1e9yB:
undetectable		 4qw3K-1e9yB:
17.51
4qw3L-1e9yB:
17.33
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 4qw3K-1j2qH:
29.4
4qw3L-1j2qH:
24.7		 4qw3K-1j2qH:
30.37
4qw3L-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)
 0.30A 4qw3K-1j2qH:
29.4
4qw3L-1j2qH:
24.7		 4qw3K-1j2qH:
30.37
4qw3L-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
 1.02A 4qw3K-1n2fA:
undetectable
4qw3L-1n2fA:
undetectable		 4qw3K-1n2fA:
22.73
4qw3L-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
 1.02A 4qw3K-1nb2A:
undetectable
4qw3L-1nb2A:
undetectable		 4qw3K-1nb2A:
22.48
4qw3L-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
 0.66A 4qw3K-1q5qH:
26.2
4qw3L-1q5qH:
22.5		 4qw3K-1q5qH:
27.92
4qw3L-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 4qw3K-1q5qH:
26.2
4qw3L-1q5qH:
22.5		 4qw3K-1q5qH:
27.92
4qw3L-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
 0.51A 4qw3K-1q5rH:
23.7
4qw3L-1q5rH:
22.2		 4qw3K-1q5rH:
27.59
4qw3L-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.
1qnt METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Homo sapiens) 		PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N) 		5 ALA A 118
ALA A 121
GLY A 131
GLY A 132
ALA A 129
 None
 1.05A 4qw3K-1qntA:
undetectable
4qw3L-1qntA:
undetectable		 4qw3K-1qntA:
22.08
4qw3L-1qntA:
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.
1rhy IMIDAZOLE GLYCEROL
PHOSPHATE
DEHYDRATASE

(Cryptococcus
neoformans) 		PF00475
(IGPD) 		5 ALA A  49
THR A  48
GLY A  55
GLY A  54
ALA A 178
 None
 1.06A 4qw3K-1rhyA:
undetectable
4qw3L-1rhyA:
undetectable		 4qw3K-1rhyA:
19.27
4qw3L-1rhyA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6u ENDO-1,4-BETA-D-XYLA
NASE

(Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10)
PF00652
(Ricin_B_lectin) 		5 ALA A 295
THR A 294
GLY A 303
GLY A 302
ALA A 299
 None
 1.07A 4qw3K-1v6uA:
undetectable
4qw3L-1v6uA:
undetectable		 4qw3K-1v6uA:
20.42
4qw3L-1v6uA:
19.41
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 THR A 519
ALA A 497
GLY A 476
GLY A 477
ALA A 478
 None
 1.04A 4qw3K-1x87A:
undetectable
4qw3L-1x87A:
undetectable		 4qw3K-1x87A:
18.20
4qw3L-1x87A:
18.99
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.
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
 1.01A 4qw3K-1zj9A:
undetectable
4qw3L-1zj9A:
undetectable		 4qw3K-1zj9A:
18.23
4qw3L-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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ALA A 294
ALA A 293
GLY A 101
GLY A 100
ALA A  97
 None
 1.07A 4qw3K-2elcA:
undetectable
4qw3L-2elcA:
undetectable		 4qw3K-2elcA:
20.12
4qw3L-2elcA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.52A 4qw3K-2fhgH:
25.7
4qw3L-2fhgH:
22.3		 4qw3K-2fhgH:
28.11
4qw3L-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.
2iun AVIAN ADENOVIRUS
CELO LONG FIBRE

(Fowl
aviadenovirus A) 		PF16812
(AdHead_fibreRBD) 		5 ALA A 586
THR A 587
ALA A 620
GLY A 679
ALA A 680
 None
 1.06A 4qw3K-2iunA:
undetectable
4qw3L-2iunA:
undetectable		 4qw3K-2iunA:
21.89
4qw3L-2iunA:
21.61
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.
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
 0.75A 4qw3K-2m5yA:
undetectable
4qw3L-2m5yA:
undetectable		 4qw3K-2m5yA:
19.34
4qw3L-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
 1.05A 4qw3K-2masA:
undetectable
4qw3L-2masA:
undetectable		 4qw3K-2masA:
22.08
4qw3L-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
 1.03A 4qw3K-2pneA:
undetectable
4qw3L-2pneA:
undetectable		 4qw3K-2pneA:
17.92
4qw3L-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)
 0.87A 4qw3K-2r6hA:
undetectable
4qw3L-2r6hA:
undetectable		 4qw3K-2r6hA:
20.34
4qw3L-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
 0.90A 4qw3K-2ragA:
undetectable
4qw3L-2ragA:
undetectable		 4qw3K-2ragA:
20.38
4qw3L-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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		5 THR A  49
THR A 380
GLY A  89
GLY A  88
ASP A 375
 None
 1.02A 4qw3K-2ragA:
undetectable
4qw3L-2ragA:
undetectable		 4qw3K-2ragA:
20.38
4qw3L-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
 0.93A 4qw3K-2rqwA:
undetectable
4qw3L-2rqwA:
undetectable		 4qw3K-2rqwA:
19.91
4qw3L-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.
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
 1.05A 4qw3K-3bogA:
undetectable
4qw3L-3bogA:
undetectable		 4qw3K-3bogA:
17.45
4qw3L-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.
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
 0.96A 4qw3K-3fajA:
undetectable
4qw3L-3fajA:
undetectable		 4qw3K-3fajA:
19.91
4qw3L-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
 1.04A 4qw3K-3hn7A:
undetectable
4qw3L-3hn7A:
undetectable		 4qw3K-3hn7A:
17.71
4qw3L-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.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum) 		PF00291
(PALP) 		5 ALA A 126
ALA A  95
GLY A 154
GLY A 155
ALA A 134
 None
LLP  A  91 ( 3.6A)
None
None
None
 0.90A 4qw3K-3iauA:
undetectable
4qw3L-3iauA:
undetectable		 4qw3K-3iauA:
20.44
4qw3L-3iauA:
22.07
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.
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
 1.02A 4qw3K-3ifrA:
undetectable
4qw3L-3ifrA:
undetectable		 4qw3K-3ifrA:
18.66
4qw3L-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
 0.77A 4qw3K-3lkiA:
undetectable
4qw3L-3lkiA:
undetectable		 4qw3K-3lkiA:
20.90
4qw3L-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
 1.00A 4qw3K-3mg6N:
29.0
4qw3L-3mg6N:
25.4		 4qw3K-3mg6N:
27.18
4qw3L-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
 0.55A 4qw3K-3mg6N:
29.0
4qw3L-3mg6N:
25.4		 4qw3K-3mg6N:
27.18
4qw3L-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.
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
 0.95A 4qw3K-3nwaB:
undetectable
4qw3L-3nwaB:
undetectable		 4qw3K-3nwaB:
13.95
4qw3L-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.
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
 1.03A 4qw3K-3pk0A:
undetectable
4qw3L-3pk0A:
undetectable		 4qw3K-3pk0A:
22.39
4qw3L-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.
3r9b CYTOCHROME P450
164A2

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		5 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.03A 4qw3K-3r9bA:
undetectable
4qw3L-3r9bA:
undetectable		 4qw3K-3r9bA:
20.64
4qw3L-3r9bA:
19.95
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.
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 4qw3K-3rijA:
undetectable
4qw3L-3rijA:
undetectable		 4qw3K-3rijA:
23.96
4qw3L-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 4qw3K-3s6lA:
undetectable
4qw3L-3s6lA:
undetectable		 4qw3K-3s6lA:
22.17
4qw3L-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
 1.05A 4qw3K-3ty6A:
19.7
4qw3L-3ty6A:
17.4		 4qw3K-3ty6A:
27.14
4qw3L-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)
 1.01A 4qw3K-3uboA:
undetectable
4qw3L-3uboA:
undetectable		 4qw3K-3uboA:
23.10
4qw3L-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)
 0.57A 4qw3K-3unfH:
30.4
4qw3L-3unfH:
25.6		 4qw3K-3unfH:
26.16
4qw3L-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
 0.98A 4qw3K-3w36A:
undetectable
4qw3L-3w36A:
undetectable		 4qw3K-3w36A:
17.68
4qw3L-3w36A:
16.89
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.
3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A

(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		PF00004
(AAA) 		5 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.00A 4qw3K-3whlA:
undetectable
4qw3L-3whlA:
undetectable		 4qw3K-3whlA:
20.59
4qw3L-3whlA:
22.07
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
 0.68A 4qw3K-3wxrL:
37.6
4qw3L-3wxrL:
23.2		 4qw3K-3wxrL:
99.53
4qw3L-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 4qw3K-3wxrL:
37.6
4qw3L-3wxrL:
23.2		 4qw3K-3wxrL:
99.53
4qw3L-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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ALA A1490
THR A1489
GLY A1496
GLY A1495
ALA A1494
 None
 1.03A 4qw3K-4c6oA:
undetectable
4qw3L-4c6oA:
undetectable		 4qw3K-4c6oA:
20.34
4qw3L-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
 0.96A 4qw3K-4cjaA:
undetectable
4qw3L-4cjaA:
undetectable		 4qw3K-4cjaA:
14.19
4qw3L-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
 1.05A 4qw3K-4dhzA:
undetectable
4qw3L-4dhzA:
undetectable		 4qw3K-4dhzA:
22.74
4qw3L-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)
 1.00A 4qw3K-4e3aA:
undetectable
4qw3L-4e3aA:
undetectable		 4qw3K-4e3aA:
21.64
4qw3L-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 4qw3K-4g4eA:
20.8
4qw3L-4g4eA:
17.6		 4qw3K-4g4eA:
27.19
4qw3L-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
 1.02A 4qw3K-4g4eA:
20.8
4qw3L-4g4eA:
17.6		 4qw3K-4g4eA:
27.19
4qw3L-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 4qw3K-4g6bA:
undetectable
4qw3L-4g6bA:
undetectable		 4qw3K-4g6bA:
18.82
4qw3L-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
 0.63A 4qw3K-4ho7A:
20.8
4qw3L-4ho7A:
17.0		 4qw3K-4ho7A:
23.26
4qw3L-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.
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 4qw3K-4k5rA:
undetectable
4qw3L-4k5rA:
undetectable		 4qw3K-4k5rA:
16.89
4qw3L-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
 1.02A 4qw3K-4mifA:
undetectable
4qw3L-4mifA:
undetectable		 4qw3K-4mifA:
17.06
4qw3L-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.
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
 0.99A 4qw3K-4ou4A:
undetectable
4qw3L-4ou4A:
undetectable		 4qw3K-4ou4A:
21.21
4qw3L-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.
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)
 0.98A 4qw3K-4p98A:
undetectable
4qw3L-4p98A:
undetectable		 4qw3K-4p98A:
21.86
4qw3L-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
 0.99A 4qw3K-4pneA:
undetectable
4qw3L-4pneA:
undetectable		 4qw3K-4pneA:
20.51
4qw3L-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 4qw3K-4qhbA:
undetectable
4qw3L-4qhbA:
undetectable		 4qw3K-4qhbA:
20.05
4qw3L-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
 0.80A 4qw3K-4qv9K:
38.3
4qw3L-4qv9K:
23.4		 4qw3K-4qv9K:
100.00
4qw3L-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
 0.52A 4qw3K-4qv9K:
38.3
4qw3L-4qv9K:
23.4		 4qw3K-4qv9K:
100.00
4qw3L-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.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 186
ALA A 188
GLY A 154
GLY A 153
ALA A 152
 None
 1.05A 4qw3K-4rvsA:
undetectable
4qw3L-4rvsA:
undetectable		 4qw3K-4rvsA:
22.35
4qw3L-4rvsA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 ALA A  82
THR A  81
GLY A  88
GLY A  87
ALA A  86
 None
 1.07A 4qw3K-4tqtA:
undetectable
4qw3L-4tqtA:
undetectable		 4qw3K-4tqtA:
17.74
4qw3L-4tqtA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yt2 H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ1338

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		5 THR A 126
THR A 106
ALA A 110
GLY A  18
ASP A  86
 None
 1.07A 4qw3K-4yt2A:
undetectable
4qw3L-4yt2A:
undetectable		 4qw3K-4yt2A:
19.94
4qw3L-4yt2A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 4qw3K-4yteA:
undetectable
4qw3L-4yteA:
undetectable		 4qw3K-4yteA:
19.82
4qw3L-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
 1.03A 4qw3K-4zm6A:
undetectable
4qw3L-4zm6A:
undetectable		 4qw3K-4zm6A:
13.68
4qw3L-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.
5ahm INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH) 		5 ALA A 278
THR A 279
ALA A 319
GLY A 251
GLY A 275
 None
 1.07A 4qw3K-5ahmA:
undetectable
4qw3L-5ahmA:
undetectable		 4qw3K-5ahmA:
19.07
4qw3L-5ahmA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 4qw3K-5c54A:
undetectable
4qw3L-5c54A:
undetectable		 4qw3K-5c54A:
23.23
4qw3L-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
 0.94A 4qw3K-5d8wA:
undetectable
4qw3L-5d8wA:
undetectable		 4qw3K-5d8wA:
21.10
4qw3L-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
 1.01A 4qw3K-5da0A:
undetectable
4qw3L-5da0A:
undetectable		 4qw3K-5da0A:
19.08
4qw3L-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
 0.99A 4qw3K-5dipA:
undetectable
4qw3L-5dipA:
undetectable		 4qw3K-5dipA:
20.77
4qw3L-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
 0.48A 4qw3K-5fg9H:
19.8
4qw3L-5fg9H:
23.2		 4qw3K-5fg9H:
29.22
4qw3L-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)
 1.14A 4qw3K-5fmgI:
27.7
4qw3L-5fmgI:
23.6		 4qw3K-5fmgI:
26.29
4qw3L-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 4qw3K-5fmgI:
27.7
4qw3L-5fmgI:
23.6		 4qw3K-5fmgI:
26.29
4qw3L-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)
 0.81A 4qw3K-5fmgI:
27.7
4qw3L-5fmgI:
23.6		 4qw3K-5fmgI:
26.29
4qw3L-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
 0.60A 4qw3K-5fmgL:
28.4
4qw3L-5fmgL:
23.8		 4qw3K-5fmgL:
47.89
4qw3L-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 4qw3K-5gmsA:
undetectable
4qw3L-5gmsA:
undetectable		 4qw3K-5gmsA:
21.74
4qw3L-5gmsA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4qw3K-5iofA:
undetectable
4qw3L-5iofA:
undetectable		 4qw3K-5iofA:
20.15
4qw3L-5iofA:
18.37
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
 0.69A 4qw3K-5l5wK:
37.4
4qw3L-5l5wK:
23.7		 4qw3K-5l5wK:
82.08
4qw3L-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
 1.04A 4qw3K-5m23A:
undetectable
4qw3L-5m23A:
undetectable		 4qw3K-5m23A:
22.69
4qw3L-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) 		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)
 0.47A 4qw3K-5m2bK:
37.8
4qw3L-5m2bK:
24.0		 4qw3K-5m2bK:
76.42
4qw3L-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
 0.85A 4qw3K-5t0gR:
32.4
4qw3L-5t0gR:
24.0		 4qw3K-5t0gR:
64.90
4qw3L-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
 0.81A 4qw3K-5t0gR:
32.4
4qw3L-5t0gR:
24.0		 4qw3K-5t0gR:
64.90
4qw3L-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
 0.78A 4qw3K-5t0gR:
32.4
4qw3L-5t0gR:
24.0		 4qw3K-5t0gR:
64.90
4qw3L-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
 0.94A 4qw3K-5t0gR:
32.4
4qw3L-5t0gR:
24.0		 4qw3K-5t0gR:
64.90
4qw3L-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
 1.02A 4qw3K-5tf0A:
undetectable
4qw3L-5tf0A:
undetectable		 4qw3K-5tf0A:
13.84
4qw3L-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.
5uni NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		5 ALA B 229
ALA B  42
GLY B 219
GLY B 234
ALA B 233
 None
 1.07A 4qw3K-5uniB:
undetectable
4qw3L-5uniB:
undetectable		 4qw3K-5uniB:
20.97
4qw3L-5uniB:
20.07
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.
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 4qw3K-5vfrR:
33.3
4qw3L-5vfrR:
23.8		 4qw3K-5vfrR:
undetectable
4qw3L-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 4qw3K-5vlhA:
undetectable
4qw3L-5vlhA:
undetectable		 4qw3K-5vlhA:
18.46
4qw3L-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
 0.98A 4qw3K-5wgcA:
undetectable
4qw3L-5wgcA:
undetectable		 4qw3K-5wgcA:
20.51
4qw3L-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 4qw3K-5x7sA:
undetectable
4qw3L-5x7sA:
undetectable		 4qw3K-5x7sA:
10.55
4qw3L-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
 0.78A 4qw3K-5xuoA:
undetectable
4qw3L-5xuoA:
undetectable		 4qw3K-5xuoA:
17.99
4qw3L-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
 1.07A 4qw3K-5zvtU:
undetectable
4qw3L-5zvtU:
undetectable		 4qw3K-5zvtU:
16.51
4qw3L-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 6 ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
ALA B  49
 None
 0.56A 4qw3K-6avoB:
21.1
4qw3L-6avoB:
20.9		 4qw3K-6avoB:
20.44
4qw3L-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

(Homo sapiens) 		no annotation 6 THR B   1
ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
 None
 0.66A 4qw3K-6avoB:
21.1
4qw3L-6avoB:
20.9		 4qw3K-6avoB:
20.44
4qw3L-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 6 THR C   1
ALA C  20
ALA C  28
MET C  45
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.4A)
BZ7  C 301 ( 4.7A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 1.23A 4qw3K-6avoC:
33.9
4qw3L-6avoC:
24.7		 4qw3K-6avoC:
65.00
4qw3L-6avoC:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 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)
 0.58A 4qw3K-6avoC:
33.9
4qw3L-6avoC:
24.7		 4qw3K-6avoC:
65.00
4qw3L-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)
 1.05A 4qw3K-6barA:
undetectable
4qw3L-6barA:
undetectable		 4qw3K-6barA:
17.26
4qw3L-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
 0.94A 4qw3K-6bm8A:
undetectable
4qw3L-6bm8A:
undetectable		 4qw3K-6bm8A:
15.09
4qw3L-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 4qw3K-6bynW:
undetectable
4qw3L-6bynW:
undetectable		 4qw3K-6bynW:
20.11
4qw3L-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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B

(Pyrococcus
furiosus) 		no annotation 5 ALA F  43
THR F  44
ALA F  46
GLY F  37
GLY F  38
 None
 1.06A 4qw3K-6cfwF:
undetectable
4qw3L-6cfwF:
undetectable		 4qw3K-6cfwF:
17.82
4qw3L-6cfwF:
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.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 5 ALA C  59
THR C  58
ALA C  57
GLY C  65
ALA C  63
 None
 0.86A 4qw3K-6gbhC:
undetectable
4qw3L-6gbhC:
undetectable		 4qw3K-6gbhC:
15.61
4qw3L-6gbhC:
16.04