SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVW_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)
 0.98A 4qvwK-1e9yB:
undetectable
4qvwL-1e9yB:
undetectable		 4qvwK-1e9yB:
17.51
4qvwL-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.
1eyx R-PHYCOERYTHRIN

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		5 ALA A 155
THR A 154
GLY A 100
GLY A 101
SER A  96
 None
 1.11A 4qvwK-1eyxA:
undetectable
4qvwL-1eyxA:
undetectable		 4qvwK-1eyxA:
21.92
4qvwL-1eyxA:
20.69
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)
 0.76A 4qvwK-1j2qH:
29.6
4qvwL-1j2qH:
24.8		 4qvwK-1j2qH:
30.37
4qvwL-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)
 0.27A 4qvwK-1j2qH:
29.6
4qvwL-1j2qH:
24.8		 4qvwK-1j2qH:
30.37
4qvwL-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 4qvwK-1n2fA:
undetectable
4qvwL-1n2fA:
undetectable		 4qvwK-1n2fA:
22.62
4qvwL-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
 1.03A 4qvwK-1nb2A:
undetectable
4qvwL-1nb2A:
undetectable		 4qvwK-1nb2A:
20.93
4qvwL-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 4qvwK-1q5qH:
26.3
4qvwL-1q5qH:
22.6		 4qvwK-1q5qH:
28.10
4qvwL-1q5qH:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 None
 0.39A 4qvwK-1q5qH:
26.3
4qvwL-1q5qH:
22.6		 4qvwK-1q5qH:
28.10
4qvwL-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.
1vi7 HYPOTHETICAL PROTEIN
YIGZ

(Escherichia
coli) 		PF01205
(UPF0029)
PF09186
(DUF1949) 		5 THR A  99
ALA A 100
GLY A  62
GLY A  96
SER A  93
 None
 0.87A 4qvwK-1vi7A:
undetectable
4qvwL-1vi7A:
undetectable		 4qvwK-1vi7A:
24.90
4qvwL-1vi7A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vrd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Thermotoga
maritima) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 275
THR A 276
ALA A 316
GLY A 248
GLY A 272
 None
 1.10A 4qvwK-1vrdA:
undetectable
4qvwL-1vrdA:
undetectable		 4qvwK-1vrdA:
22.02
4qvwL-1vrdA:
16.67
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.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ALA A 391
THR A 392
GLY A  95
GLY A  96
SER A 462
 None
 1.02A 4qvwK-2e0wA:
undetectable
4qvwL-2e0wA:
2.8		 4qvwK-2e0wA:
17.30
4qvwL-2e0wA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ALA A 391
THR A 392
GLY A  96
GLY A  97
SER A 462
 None
 0.99A 4qvwK-2e0wA:
undetectable
4qvwL-2e0wA:
2.8		 4qvwK-2e0wA:
17.30
4qvwL-2e0wA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hyt TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pectobacterium
atrosepticum) 		PF00440
(TetR_N) 		5 ALA A  60
GLY A 117
GLY A 118
ASP A  67
SER A 123
 None
 1.04A 4qvwK-2hytA:
undetectable
4qvwL-2hytA:
undetectable		 4qvwK-2hytA:
18.64
4qvwL-2hytA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A  47
THR A  46
ALA A  17
GLY A  52
SER A  53
 None
 0.91A 4qvwK-2i3aA:
undetectable
4qvwL-2i3aA:
undetectable		 4qvwK-2i3aA:
21.53
4qvwL-2i3aA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4qvwK-2masA:
undetectable
4qvwL-2masA:
undetectable		 4qvwK-2masA:
21.77
4qvwL-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 4qvwK-2pneA:
undetectable
4qvwL-2pneA:
undetectable		 4qvwK-2pneA:
17.45
4qvwL-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.
2qby CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG 3

(Sulfolobus
solfataricus) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 THR B 228
ALA B 259
GLY B 266
GLY B 264
SER B 263
 None
 0.96A 4qvwK-2qbyB:
undetectable
4qvwL-2qbyB:
undetectable		 4qvwK-2qbyB:
20.10
4qvwL-2qbyB:
19.68
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.
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 4qvwK-2ragA:
undetectable
4qvwL-2ragA:
undetectable		 4qvwK-2ragA:
20.38
4qvwL-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
 1.03A 4qvwK-2ragA:
undetectable
4qvwL-2ragA:
undetectable		 4qvwK-2ragA:
20.38
4qvwL-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
 0.96A 4qvwK-2rqwA:
undetectable
4qvwL-2rqwA:
undetectable		 4qvwK-2rqwA:
20.37
4qvwL-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.
2y89 PHOSPHORIBOSYL
ISOMERASE A

(Mycobacterium
tuberculosis) 		PF00977
(His_biosynth) 		5 ALA A  92
ALA A  91
GLY A  82
GLY A  83
ASP A  86
 None
None
SO4  A1246 (-3.3A)
SO4  A1246 (-3.4A)
None
 1.10A 4qvwK-2y89A:
undetectable
4qvwL-2y89A:
undetectable		 4qvwK-2y89A:
24.51
4qvwL-2y89A:
22.31
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III
CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00034
(Cytochrom_C)
PF00115
(COX1)
PF00116
(COX2)
PF00510
(COX3)
PF02790
(COX2_TM) 		5 ALA B 203
GLY A 133
GLY A 132
SER A 151
SER A 149
 None
 0.93A 4qvwK-2yevB:
undetectable
4qvwL-2yevB:
undetectable		 4qvwK-2yevB:
20.76
4qvwL-2yevB:
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.
3agr NUCLEOSIDE
TRIPHOSPHATE
HYDROLASE

(Neospora
caninum) 		PF01150
(GDA1_CD39) 		5 ALA A 165
GLY A 256
GLY A 255
SER A 258
SER A 299
 None
 1.01A 4qvwK-3agrA:
undetectable
4qvwL-3agrA:
undetectable		 4qvwK-3agrA:
15.91
4qvwL-3agrA:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		5 ALA A  79
THR A  76
ALA A  78
GLY A 146
SER A 154
 None
 1.01A 4qvwK-3bfgA:
undetectable
4qvwL-3bfgA:
undetectable		 4qvwK-3bfgA:
21.98
4qvwL-3bfgA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4qvwK-3bogA:
undetectable
4qvwL-3bogA:
undetectable		 4qvwK-3bogA:
16.98
4qvwL-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.
3flb RIFR

(Amycolatopsis
mediterranei) 		PF00975
(Thioesterase) 		5 ALA A 155
GLY A  30
GLY A  31
SER A  32
SER A  34
 None
 0.87A 4qvwK-3flbA:
undetectable
4qvwL-3flbA:
undetectable		 4qvwK-3flbA:
21.11
4qvwL-3flbA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 ALA A 174
ALA A 173
GLY A 152
GLY A 151
SER A 123
 None
 1.00A 4qvwK-3g5iA:
undetectable
4qvwL-3g5iA:
undetectable		 4qvwK-3g5iA:
23.45
4qvwL-3g5iA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 THR A 274
ALA A 174
ALA A 173
GLY A 151
SER A 123
 None
 1.09A 4qvwK-3g5iA:
undetectable
4qvwL-3g5iA:
undetectable		 4qvwK-3g5iA:
23.45
4qvwL-3g5iA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 THR A 238
GLY A 212
GLY A 213
SER A 214
ASP A 243
 None
 0.96A 4qvwK-3gq9A:
undetectable
4qvwL-3gq9A:
undetectable		 4qvwK-3gq9A:
16.26
4qvwL-3gq9A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		5 THR A 145
ALA A  90
THR A  89
ALA A  93
GLY A 140
 None
 1.08A 4qvwK-3khsA:
undetectable
4qvwL-3khsA:
undetectable		 4qvwK-3khsA:
21.00
4qvwL-3khsA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 ALA A  99
THR A  98
ALA A 120
GLY A  44
GLY A  45
 None
 0.78A 4qvwK-3lkiA:
undetectable
4qvwL-3lkiA:
undetectable		 4qvwK-3lkiA:
19.82
4qvwL-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.
3mfg V_SEGMENT
TRANSLATION PRODUCT

(Homo sapiens) 		PF07686
(V-set) 		5 ALA B  54
THR B  55
ALA B  47
GLY B  52
SER B  75
 None
 1.08A 4qvwK-3mfgB:
undetectable
4qvwL-3mfgB:
undetectable		 4qvwK-3mfgB:
19.91
4qvwL-3mfgB:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
THR N  21
ALA N  27
LYS N  33
GLY N  47
 None
 0.50A 4qvwK-3mg6N:
29.1
4qvwL-3mg6N:
25.4		 4qvwK-3mg6N:
26.70
4qvwL-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.
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 4qvwK-3r9bA:
undetectable
4qvwL-3r9bA:
undetectable		 4qvwK-3r9bA:
20.39
4qvwL-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.
3rgg PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, PURE
PROTEIN

(Treponema
denticola) 		PF00731
(AIRC) 		5 THR A  42
GLY A  37
GLY A  10
SER A  11
SER A  13
 None
None
AIR  A1001 (-3.5A)
AIR  A1001 (-2.7A)
AIR  A1001 ( 3.7A)
 1.06A 4qvwK-3rggA:
undetectable
4qvwL-3rggA:
undetectable		 4qvwK-3rggA:
23.11
4qvwL-3rggA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 THR A  47
ALA A  48
GLY A  30
GLY A  29
SER A  28
 None
None
None
None
IOD  A 184 (-2.9A)
 1.03A 4qvwK-3s6lA:
undetectable
4qvwL-3s6lA:
undetectable		 4qvwK-3s6lA:
21.72
4qvwL-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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 THR A 238
GLY A 212
GLY A 213
SER A 214
ASP A 243
 None
 1.02A 4qvwK-3sucA:
undetectable
4qvwL-3sucA:
undetectable		 4qvwK-3sucA:
15.15
4qvwL-3sucA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE

(Caldanaerobacter
subterraneus) 		PF03069
(FmdA_AmdA) 		5 ALA A 230
THR A 282
ALA A 238
GLY A 153
SER A 151
 None
 1.12A 4qvwK-3tkkA:
undetectable
4qvwL-3tkkA:
undetectable		 4qvwK-3tkkA:
20.89
4qvwL-3tkkA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqh QUINONE
OXIDOREDUCTASE

(Coxiella
burnetii) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 ALA A 138
THR A 137
ALA A 141
GLY A 161
GLY A 160
 None
NDP  A 500 (-3.2A)
None
NDP  A 500 (-3.6A)
NDP  A 500 (-3.6A)
 1.11A 4qvwK-3tqhA:
undetectable
4qvwL-3tqhA:
undetectable		 4qvwK-3tqhA:
22.70
4qvwL-3tqhA:
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.
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)
 1.00A 4qvwK-3uboA:
undetectable
4qvwL-3uboA:
undetectable		 4qvwK-3uboA:
23.70
4qvwL-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) 		5 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
 1.11A 4qvwK-3unfH:
30.6
4qvwL-3unfH:
25.6		 4qvwK-3unfH:
25.74
4qvwL-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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
 0.44A 4qvwK-3unfH:
30.6
4qvwL-3unfH:
25.6		 4qvwK-3unfH:
25.74
4qvwL-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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 THR A  89
ALA A 111
GLY A  38
GLY A  39
SER A 139
 None
 1.07A 4qvwK-3uqeA:
undetectable
4qvwL-3uqeA:
undetectable		 4qvwK-3uqeA:
22.15
4qvwL-3uqeA:
22.33
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.
3v6a APOPTOSIS INHIBITOR
5

(Homo sapiens) 		PF05918
(API5) 		5 THR A 103
ALA A  90
GLY A 135
GLY A 134
ASP A 128
 None
 1.10A 4qvwK-3v6aA:
undetectable
4qvwL-3v6aA:
undetectable		 4qvwK-3v6aA:
18.79
4qvwL-3v6aA:
17.36
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		5 THR A 221
ALA A 317
GLY A 156
GLY A 155
SER A  58
 None
 1.02A 4qvwK-3vupA:
undetectable
4qvwL-3vupA:
undetectable		 4qvwK-3vupA:
19.55
4qvwL-3vupA:
22.77
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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 5 THR A 481
ALA A 433
THR A 434
ALA A 360
ASP A 511
 None
 1.00A 4qvwK-3w36A:
undetectable
4qvwL-3w36A:
undetectable		 4qvwK-3w36A:
17.68
4qvwL-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)
 1.02A 4qvwK-3whlA:
undetectable
4qvwL-3whlA:
undetectable		 4qvwK-3whlA:
20.59
4qvwL-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) 		7 THR L   1
ALA L  20
THR L  21
ALA L  27
LYS L  33
GLY L  47
GLY L  48
 None
 0.66A 4qvwK-3wxrL:
38.3
4qvwL-3wxrL:
23.3		 4qvwK-3wxrL:
99.53
4qvwL-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 4qvwK-3wxrL:
38.3
4qvwL-3wxrL:
23.3		 4qvwK-3wxrL:
99.53
4qvwL-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.
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 4qvwK-4cjaA:
undetectable
4qvwL-4cjaA:
undetectable		 4qvwK-4cjaA:
13.68
4qvwL-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.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 241
THR A 238
GLY A 215
GLY A 279
SER A 280
 FAD  A1588 (-3.0A)
None
FAD  A1588 (-3.1A)
FAD  A1588 (-3.5A)
FAD  A1588 (-2.8A)
 1.04A 4qvwK-4d5gA:
undetectable
4qvwL-4d5gA:
undetectable		 4qvwK-4d5gA:
17.90
4qvwL-4d5gA:
17.12
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.
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 4qvwK-4e3aA:
undetectable
4qvwL-4e3aA:
undetectable		 4qvwK-4e3aA:
22.25
4qvwL-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
 0.66A 4qvwK-4g4eA:
21.0
4qvwL-4g4eA:
17.6		 4qvwK-4g4eA:
28.05
4qvwL-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.
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 4qvwK-4ho7A:
20.9
4qvwL-4ho7A:
16.9		 4qvwK-4ho7A:
23.26
4qvwL-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.
4i3r HEAVY CHAIN OF
VRC-PG04 FAB

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H 137
THR H 183
GLY H 134
GLY H 133
SER H 132
 None
 1.10A 4qvwK-4i3rH:
undetectable
4qvwL-4i3rH:
undetectable		 4qvwK-4i3rH:
24.90
4qvwL-4i3rH:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		5 ALA A 281
ALA A 322
GLY A 254
GLY A 278
ASP A 340
 None
None
None
None
IMP  A 501 (-2.3A)
 1.11A 4qvwK-4ix2A:
undetectable
4qvwL-4ix2A:
undetectable		 4qvwK-4ix2A:
22.34
4qvwL-4ix2A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 ALA A 100
THR A 101
ALA A 103
MET A 241
GLY A 243
 None
 1.10A 4qvwK-4my5A:
undetectable
4qvwL-4my5A:
undetectable		 4qvwK-4my5A:
17.97
4qvwL-4my5A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4odj S-ADENOSYLMETHIONINE
SYNTHASE

(Cryptosporidium
hominis) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 GLY A 388
GLY A 387
SER A 386
ASP A 170
SER A  32
 None
 1.07A 4qvwK-4odjA:
undetectable
4qvwL-4odjA:
undetectable		 4qvwK-4odjA:
21.65
4qvwL-4odjA:
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.
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 4qvwK-4qhbA:
undetectable
4qvwL-4qhbA:
undetectable		 4qvwK-4qhbA:
20.26
4qvwL-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) 		7 THR K   1
ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
GLY K  48
 None
 0.50A 4qvwK-4qv9K:
39.1
4qvwL-4qv9K:
23.5		 4qvwK-4qv9K:
99.06
4qvwL-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.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 ALA A  96
ALA A  95
GLY A  86
GLY A  87
ASP A  90
 None
None
PO4  A 302 (-3.5A)
PO4  A 302 (-3.8A)
None
 1.11A 4qvwK-4u28A:
undetectable
4qvwL-4u28A:
undetectable		 4qvwK-4u28A:
21.63
4qvwL-4u28A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		6 ALA A 556
THR A 557
ALA A 558
GLY A 606
GLY A 579
SER A 578
 None
3XR  A 802 ( 4.5A)
None
None
None
None
 1.18A 4qvwK-4x6kA:
undetectable
4qvwL-4x6kA:
undetectable		 4qvwK-4x6kA:
20.30
4qvwL-4x6kA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9s PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sp. Mg1) 		PF00977
(His_biosynth) 		5 ALA A  94
ALA A  93
GLY A  84
GLY A  85
ASP A  88
 None
None
SO4  A 301 ( 3.8A)
SO4  A 301 (-3.5A)
None
 1.10A 4qvwK-4x9sA:
undetectable
4qvwL-4x9sA:
undetectable		 4qvwK-4x9sA:
23.02
4qvwL-4x9sA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9s PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sp. Mg1) 		PF00977
(His_biosynth) 		5 THR A 107
ALA A 108
GLY A  61
ASP A  88
SER A  91
 SO4  A 301 (-3.8A)
None
None
None
None
 1.07A 4qvwK-4x9sA:
undetectable
4qvwL-4x9sA:
undetectable		 4qvwK-4x9sA:
23.02
4qvwL-4x9sA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xml HEAVY CHAIN OF HIV-1
GP120 V3-SPECIFIC
HUMAN MONOCLONAL
ANTIBODY 2424

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H 137
THR H 183
GLY H 134
GLY H 133
SER H 132
 None
 1.07A 4qvwK-4xmlH:
undetectable
4qvwL-4xmlH:
undetectable		 4qvwK-4xmlH:
22.98
4qvwL-4xmlH:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 ALA A 399
THR A 400
GLY A  89
GLY A  90
SER A 460
 None
None
None
None
NA  A 601 ( 4.4A)
 0.99A 4qvwK-4y23A:
2.7
4qvwL-4y23A:
undetectable		 4qvwK-4y23A:
18.69
4qvwL-4y23A:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 ALA A 399
THR A 400
GLY A  90
GLY A  91
SER A 460
 None
None
None
None
NA  A 601 ( 4.4A)
 1.12A 4qvwK-4y23A:
2.7
4qvwL-4y23A:
undetectable		 4qvwK-4y23A:
18.69
4qvwL-4y23A:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4qvwK-4yt2A:
undetectable
4qvwL-4yt2A:
undetectable		 4qvwK-4yt2A:
19.94
4qvwL-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
 1.02A 4qvwK-4yteA:
undetectable
4qvwL-4yteA:
undetectable		 4qvwK-4yteA:
19.82
4qvwL-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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		5 THR A 322
ALA A 307
GLY A 351
GLY A 352
ASP A 186
 None
 1.08A 4qvwK-5aexA:
undetectable
4qvwL-5aexA:
undetectable		 4qvwK-5aexA:
20.09
4qvwL-5aexA:
19.22
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.
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
 1.08A 4qvwK-5ahmA:
undetectable
4qvwL-5ahmA:
undetectable		 4qvwK-5ahmA:
18.67
4qvwL-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.
5ahn INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 278
THR A 279
ALA A 319
GLY A 251
GLY A 275
 None
 1.11A 4qvwK-5ahnA:
undetectable
4qvwL-5ahnA:
undetectable		 4qvwK-5ahnA:
19.51
4qvwL-5ahnA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f9o CH235.9 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H 146
THR H 192
GLY H 143
GLY H 142
SER H 141
 None
 1.06A 4qvwK-5f9oH:
undetectable
4qvwL-5f9oH:
undetectable		 4qvwK-5f9oH:
23.39
4qvwL-5f9oH:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f9w HEAVY CHAIN OF
CH235-LINEAGE
ANTIBODY CH235

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA B 137
THR B 183
GLY B 134
GLY B 133
SER B 132
 None
 1.07A 4qvwK-5f9wB:
undetectable
4qvwL-5f9wB:
undetectable		 4qvwK-5f9wB:
23.01
4qvwL-5f9wB:
19.67
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
 None
 0.41A 4qvwK-5fg9H:
20.0
4qvwL-5fg9H:
23.3		 4qvwK-5fg9H:
28.81
4qvwL-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)
 1.13A 4qvwK-5fmgI:
27.9
4qvwL-5fmgI:
23.7		 4qvwK-5fmgI:
25.86
4qvwL-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)
 0.97A 4qvwK-5fmgI:
27.9
4qvwL-5fmgI:
23.7		 4qvwK-5fmgI:
25.86
4qvwL-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.
5h68 CHROMOSOME PARTITION
PROTEIN SMC

(Geobacillus
stearothermophilus) 		PF02463
(SMC_N) 		5 ALA A  28
THR A  27
ALA A1157
GLY A1162
SER A1181
 None
 1.07A 4qvwK-5h68A:
undetectable
4qvwL-5h68A:
undetectable		 4qvwK-5h68A:
21.02
4qvwL-5h68A:
21.80
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.
5hxs SODIUM,CALCIUM
EXCHANGER

(Methanocaldococcus
jannaschii) 		PF01699
(Na_Ca_ex) 		5 ALA A 220
ALA A 219
GLY A 231
GLY A  42
SER A  27
 None
TOE  A 410 (-3.6A)
None
None
None
 1.11A 4qvwK-5hxsA:
undetectable
4qvwL-5hxsA:
undetectable		 4qvwK-5hxsA:
23.79
4qvwL-5hxsA:
23.76
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.
5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Bacillus cereus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 THR A  94
ALA A 119
GLY A 124
GLY A 123
SER A 122
 None
None
NAD  A 401 ( 3.5A)
EPE  A 402 (-3.8A)
EPE  A 402 (-3.4A)
 1.09A 4qvwK-5je8A:
undetectable
4qvwL-5je8A:
undetectable		 4qvwK-5je8A:
23.08
4qvwL-5je8A:
20.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		7 THR K   1
ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
GLY K  48
 None
 0.63A 4qvwK-5l5wK:
37.9
4qvwL-5l5wK:
23.7		 4qvwK-5l5wK:
82.08
4qvwL-5l5wK:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
ALA K  20
LYS K  33
MET K  45
GLY K  47
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
7DX  K 301 (-4.2A)
7DX  K 301 ( 3.8A)
7DX  K 301 (-3.8A)
 0.42A 4qvwK-5m2bK:
38.3
4qvwL-5m2bK:
24.1		 4qvwK-5m2bK:
76.42
4qvwL-5m2bK:
23.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
ALA K  20
LYS K  33
MET K  45
GLY K  47
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
7DX  K 301 (-4.2A)
7DX  K 301 ( 3.8A)
7DX  K 301 (-3.8A)
 0.96A 4qvwK-5m2bK:
38.3
4qvwL-5m2bK:
24.1		 4qvwK-5m2bK:
76.42
4qvwL-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
 0.88A 4qvwK-5t0gR:
32.4
4qvwL-5t0gR:
24.0		 4qvwK-5t0gR:
64.90
4qvwL-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
LYS R  33
GLY R  47
GLY R  48
 None
 0.92A 4qvwK-5t0gR:
32.4
4qvwL-5t0gR:
24.0		 4qvwK-5t0gR:
64.90
4qvwL-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
 0.82A 4qvwK-5t0gR:
32.4
4qvwL-5t0gR:
24.0		 4qvwK-5t0gR:
64.90
4qvwL-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.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 ALA O 134
ALA O 133
GLY O 128
ASP O 166
SER O 169
 None
 1.04A 4qvwK-5t0hO:
27.4
4qvwL-5t0hO:
24.3		 4qvwK-5t0hO:
28.27
4qvwL-5t0hO:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.79A 4qvwK-5vfrR:
33.1
4qvwL-5vfrR:
23.8		 4qvwK-5vfrR:
undetectable
4qvwL-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 7 THR R   1
ALA R  20
THR R  21
ALA R  27
LYS R  33
GLY R  47
GLY R  48
 None
 0.63A 4qvwK-5vfrR:
33.1
4qvwL-5vfrR:
23.8		 4qvwK-5vfrR:
undetectable
4qvwL-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.
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 994
GLY A1001
GLY A1002
ASP A1019
 None
 1.09A 4qvwK-5x7sA:
undetectable
4qvwL-5x7sA:
undetectable		 4qvwK-5x7sA:
10.55
4qvwL-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.
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 4qvwK-6avoB:
21.4
4qvwL-6avoB:
21.2		 4qvwK-6avoB:
20.44
4qvwL-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
MET C  45
GLY C  47
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 ( 4.7A)
BZ7  C 301 (-4.5A)
 0.60A 4qvwK-6avoC:
34.2
4qvwL-6avoC:
24.8		 4qvwK-6avoC:
65.00
4qvwL-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.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 134
ALA A 135
GLY A 265
GLY A 264
SER A 263
 None
 1.05A 4qvwK-6b2qA:
undetectable
4qvwL-6b2qA:
undetectable		 4qvwK-6b2qA:
19.64
4qvwL-6b2qA:
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.
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 4qvwK-6barA:
undetectable
4qvwL-6barA:
undetectable		 4qvwK-6barA:
17.59
4qvwL-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.
6bar ROD SHAPE
DETERMINING PROTEIN
RODA

(Thermus
thermophilus) 		no annotation 5 THR A 328
THR A 342
GLY A 335
GLY A 336
SER A 337
 None
None
None
OLC  A 402 ( 4.7A)
OLC  A 402 ( 4.6A)
 1.09A 4qvwK-6barA:
undetectable
4qvwL-6barA:
undetectable		 4qvwK-6barA:
17.59
4qvwL-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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 ALA A  70
THR A 265
ALA A 268
GLY A  78
SER A  82
 None
 1.01A 4qvwK-6cboA:
undetectable
4qvwL-6cboA:
undetectable		 4qvwK-6cboA:
25.93
4qvwL-6cboA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4qvwK-6cfwF:
undetectable
4qvwL-6cfwF:
undetectable		 4qvwK-6cfwF:
17.82
4qvwL-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.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 ALA A 169
THR A 170
GLY A 152
GLY A 151
ASP A 128
 None
 1.07A 4qvwK-6cyzA:
undetectable
4qvwL-6cyzA:
undetectable		 4qvwK-6cyzA:
18.50
4qvwL-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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 6 THR A 175
ALA A 896
THR A 897
ALA A 899
GLY A 891
SER A 892
 None
 1.38A 4qvwK-6fn1A:
undetectable
4qvwL-6fn1A:
undetectable		 4qvwK-6fn1A:
17.70
4qvwL-6fn1A:
15.18
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 6 THR A 175
ALA A 896
THR A 897
GLY A 891
SER A 892
SER A 922
 None
 1.48A 4qvwK-6fn1A:
undetectable
4qvwL-6fn1A:
undetectable		 4qvwK-6fn1A:
17.70
4qvwL-6fn1A:
15.18