SIMILAR PATTERNS OF AMINO ACIDS FOR 3AF0_A_PAUA314_0

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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		4 VAL A 186
LEU A 211
GLY A  74
TYR A 207
 None
 1.00A 3af0A-1bueA:
undetectable		 3af0A-1bueA:
19.20
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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		4 VAL A 186
LEU A 211
GLY A  74
TYR A 207
 None
 0.98A 3af0A-1dy6A:
undetectable		 3af0A-1dy6A:
21.99
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.
1fq3 GRANZYME B

(Homo sapiens) 		PF00089
(Trypsin) 		4 VAL A 208
LEU A 181
LYS A 230
GLY A 211
 None
 0.80A 3af0A-1fq3A:
undetectable		 3af0A-1fq3A:
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.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 VAL A 322
ASP A 328
GLY A 351
HIS A 313
 None
 1.04A 3af0A-1pieA:
0.0		 3af0A-1pieA:
21.46
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.
1s4e GALACTOKINASE

(Pyrococcus
furiosus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 VAL A 280
ASP A 286
GLY A 308
HIS A 271
 None
 1.00A 3af0A-1s4eA:
undetectable		 3af0A-1s4eA:
23.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sq5 PANTOTHENATE KINASE

(Escherichia
coli) 		PF00485
(PRK) 		8 VAL A1097
ASP A1127
LEU A1130
LYS A1145
GLY A1146
TYR A1151
HIS A1177
TYR A1180
 ADP  A5001 ( 4.4A)
PAU  A6001 (-2.9A)
None
None
PAU  A6001 (-3.3A)
None
PAU  A6001 (-4.2A)
None
 0.37A 3af0A-1sq5A:
37.5		 3af0A-1sq5A:
52.66
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.
1v4g GLUTAMATE--CYSTEINE
LIGASE

(Escherichia
coli) 		PF04262
(Glu_cys_ligase) 		4 VAL A 432
ASP A 343
LEU A  80
TYR A 151
 None
 1.04A 3af0A-1v4gA:
undetectable		 3af0A-1v4gA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		4 VAL A 152
ASP A 195
LEU A 286
HIS A 199
 NAP  A 800 (-4.4A)
FE  A 400 (-2.2A)
None
FE  A 400 ( 3.3A)
 0.93A 3af0A-1vljA:
1.9		 3af0A-1vljA:
21.41
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.
1wuu GALACTOKINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 VAL A 320
ASP A 326
GLY A 349
HIS A 311
 None
 1.01A 3af0A-1wuuA:
0.0		 3af0A-1wuuA:
24.88
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.
1x9q 4M5.3
ANTI-FLUORESCEIN
SINGLE CHAIN
ANTIBODY FRAGMENT

(Homo sapiens) 		PF07686
(V-set) 		5 ASP A 101
LEU A  56
LYS A  58
GLY A 103
TYR A 105
 ACT  A1476 (-4.1A)
None
ACT  A1476 (-3.0A)
None
None
 1.50A 3af0A-1x9qA:
undetectable		 3af0A-1x9qA:
19.44
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.
1yga HYPOTHETICAL 37.9
KDA PROTEIN IN
BIO3-HXT17
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		4 VAL A  43
GLY A  60
TYR A  52
TYR A 146
 None
 0.87A 3af0A-1ygaA:
undetectable		 3af0A-1ygaA:
22.62
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		4 VAL A 406
GLY A 424
TYR A 415
TYR A 507
 None
 0.95A 3af0A-1z45A:
undetectable		 3af0A-1z45A:
18.52
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.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		4 LYS A  52
GLY A  51
HIS A  98
TYR A  97
 None
 0.87A 3af0A-1zosA:
undetectable		 3af0A-1zosA:
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.
2akj FERREDOXIN--NITRITE
REDUCTASE,
CHLOROPLAST

(Spinacia
oleracea) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ASP A  85
LEU A  68
GLY A  64
HIS A  81
 None
 0.93A 3af0A-2akjA:
undetectable		 3af0A-2akjA:
19.52
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		4 VAL A  88
LEU A  58
LYS A  83
GLY A  84
 None
 0.91A 3af0A-2avnA:
undetectable		 3af0A-2avnA:
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.
2dej PROBABLE
GALACTOKINASE

(Pyrococcus
horikoshii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 VAL A 278
ASP A 284
GLY A 306
HIS A 269
 None
 1.01A 3af0A-2dejA:
undetectable		 3af0A-2dejA:
20.82
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.
2dm3 KIAA0992 PROTEIN

(Homo sapiens) 		PF07679
(I-set) 		4 VAL A 100
LEU A  45
GLY A  79
TYR A  81
 None
 0.95A 3af0A-2dm3A:
undetectable		 3af0A-2dm3A:
18.09
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.
2ery RAS-RELATED PROTEIN
R-RAS2

(Homo sapiens) 		PF00071
(Ras) 		4 LEU A 124
GLY A 142
TYR A 153
TYR A 105
 None
 0.73A 3af0A-2eryA:
2.3		 3af0A-2eryA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv8 RHO-RELATED
GTP-BINDING PROTEIN
RHOB

(Homo sapiens) 		PF00071
(Ras) 		4 VAL A 139
LEU A 114
GLY A 144
TYR A 156
 None
 0.98A 3af0A-2fv8A:
undetectable		 3af0A-2fv8A:
23.05
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.
2hun 336AA LONG
HYPOTHETICAL
DTDP-GLUCOSE
4,6-DEHYDRATASE

(Pyrococcus
horikoshii) 		PF16363
(GDP_Man_Dehyd) 		4 VAL A 123
LEU A 292
LYS A 233
GLY A 234
 None
 1.01A 3af0A-2hunA:
undetectable		 3af0A-2hunA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j42 C2 TOXIN
COMPONENT-II

(Clostridium
botulinum) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 VAL A 114
LYS A 156
GLY A  69
TYR A 463
 None
 0.95A 3af0A-2j42A:
undetectable		 3af0A-2j42A:
18.08
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.
2oi2 MEVALONATE KINASE

(Streptococcus
pneumoniae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 VAL A 231
ASP A 237
GLY A 259
HIS A 223
 None
 0.96A 3af0A-2oi2A:
undetectable		 3af0A-2oi2A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjf BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 VAL A 262
LEU A 454
GLY A 456
TYR A 497
 None
 0.94A 3af0A-2qjfA:
undetectable		 3af0A-2qjfA:
21.67
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.
2qoj INTRON-ENCODED DNA
ENDONUCLEASE I-ANII

(Aspergillus
nidulans) 		PF00961
(LAGLIDADG_1) 		4 VAL Z 203
LEU Z 238
TYR Z 244
TYR Z 231
 None
 1.00A 3af0A-2qojZ:
undetectable		 3af0A-2qojZ:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 4 VAL A 123
LEU A 133
GLY A 125
TYR A 127
 None
 1.05A 3af0A-2quaA:
undetectable		 3af0A-2quaA:
19.34
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.
2vug PAB1020

(Pyrococcus
abyssi) 		PF09414
(RNA_ligase) 		4 VAL A 157
LEU A 262
GLY A 255
TYR A 266
 None
MPD  A 502 (-4.9A)
None
None
 0.91A 3af0A-2vugA:
undetectable		 3af0A-2vugA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ze5 ISOPENTENYL
TRANSFERASE

(Agrobacterium
tumefaciens) 		PF01745
(IPT) 		4 VAL A  35
GLY A  46
HIS A 214
TYR A 211
 AMP  A 401 ( 4.3A)
None
AMP  A 401 (-4.0A)
None
 1.01A 3af0A-2ze5A:
6.9		 3af0A-2ze5A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ASP A 900
LEU A1002
GLY A1000
TYR A 563
 None
 0.97A 3af0A-3bgaA:
undetectable		 3af0A-3bgaA:
15.38
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		4 LYS A  51
GLY A  50
HIS A  97
TYR A  96
 None
 0.84A 3af0A-3bl6A:
undetectable		 3af0A-3bl6A:
21.93
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.
3ce9 GLYCEROL
DEHYDROGENASE

(Clostridium
acetobutylicum) 		PF13685
(Fe-ADH_2) 		4 VAL A 270
ASP A 124
LEU A 229
GLY A 168
 None
ZN  A 400 ( 4.0A)
None
None
 0.98A 3af0A-3ce9A:
undetectable		 3af0A-3ce9A:
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.
3d6n ASPARTATE
CARBAMOYLTRANSFERASE

(Aquifex
aeolicus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ASP B 258
GLY B 153
TYR B 230
HIS B 249
 None
 1.02A 3af0A-3d6nB:
undetectable		 3af0A-3d6nB:
21.49
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ASP A 876
LEU A 978
GLY A 976
TYR A 539
 None
 0.90A 3af0A-3decA:
undetectable		 3af0A-3decA:
13.95
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.
3dh4 SODIUM/GLUCOSE
COTRANSPORTER

(Vibrio
parahaemolyticus) 		PF00474
(SSF) 		4 ASP A 336
LEU A 152
GLY A 418
TYR A 148
 None
 1.05A 3af0A-3dh4A:
undetectable		 3af0A-3dh4A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dlt ESTERASE D

(Lactobacillus
rhamnosus) 		PF12146
(Hydrolase_4) 		4 ASP A 163
GLY A 157
HIS A 125
TYR A  24
 None
None
BUA  A 246 (-3.5A)
None
 0.77A 3af0A-3dltA:
2.8		 3af0A-3dltA:
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.
3e6p PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF09396
(Thrombin_light) 		4 VAL L 212
ASP L 173
GLY L 224
TYR L 247
 None
 1.04A 3af0A-3e6pL:
undetectable		 3af0A-3e6pL:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ec1 YQEH GTPASE

(Geobacillus
stearothermophilus) 		PF01926
(MMR_HSR1) 		4 LEU A 303
GLY A 263
TYR A 299
TYR A 314
 None
 1.03A 3af0A-3ec1A:
undetectable		 3af0A-3ec1A:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gae PROTEIN DOA1

(Saccharomyces
cerevisiae) 		PF08324
(PUL) 		4 VAL A 469
ASP A 713
LEU A 714
GLY A 675
 None
 0.88A 3af0A-3gaeA:
undetectable		 3af0A-3gaeA:
21.47
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.
3gb4 DDMC

(Stenotrophomonas
maltophilia) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ASP A 294
LEU A 290
TYR A 263
HIS A 165
 CO  A 502 (-1.9A)
None
None
CO  A 502 (-3.3A)
 1.05A 3af0A-3gb4A:
undetectable		 3af0A-3gb4A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3if9 GLYCINE OXIDASE

(Bacillus
subtilis) 		PF01266
(DAO) 		4 ASP A 104
LEU A 108
HIS A 242
TYR A 241
 None
 1.00A 3af0A-3if9A:
undetectable		 3af0A-3if9A:
22.00
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.
3l3f PROTEIN DOA1

(Saccharomyces
cerevisiae) 		PF08324
(PUL)
PF09070
(PFU) 		4 VAL X 469
ASP X 713
LEU X 714
GLY X 675
 None
 0.97A 3af0A-3l3fX:
undetectable		 3af0A-3l3fX:
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.
3lnl UPF0135 PROTEIN
SA1388

(Staphylococcus
aureus) 		PF01784
(NIF3) 		4 ASP A 106
LEU A 242
GLY A 290
HIS A 102
 ZN  A 401 ( 2.0A)
B3P  A 371 (-4.5A)
B3P  A 371 ( 4.6A)
B3P  A 371 ( 4.8A)
 1.01A 3af0A-3lnlA:
undetectable		 3af0A-3lnlA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m7d TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24) 		4 ASP A 251
LEU A 254
LYS A  28
GLY A  26
 None
 1.02A 3af0A-3m7dA:
undetectable		 3af0A-3m7dA:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m7g TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13404
(HTH_AsnC-type) 		4 ASP A 251
LEU A 254
LYS A  28
GLY A  26
 None
 0.86A 3af0A-3m7gA:
undetectable		 3af0A-3m7gA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mb8 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Toxoplasma
gondii) 		PF01048
(PNP_UDP_1) 		4 VAL A 192
ASP A 186
LEU A 207
GLY A 205
 None
IMH  A 280 (-4.2A)
None
None
 0.78A 3af0A-3mb8A:
undetectable		 3af0A-3mb8A:
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.
3n91 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF08522
(DUF1735) 		4 VAL A 196
LEU A 328
GLY A 201
TYR A 203
 None
 0.85A 3af0A-3n91A:
undetectable		 3af0A-3n91A:
22.87
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		4 LYS A  52
GLY A  51
HIS A  98
TYR A  97
 None
 0.87A 3af0A-3o4vA:
undetectable		 3af0A-3o4vA:
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.
3pst PROTEIN DOA1

(Saccharomyces
cerevisiae) 		PF08324
(PUL)
PF09070
(PFU) 		4 VAL A 469
ASP A 713
LEU A 714
GLY A 675
 None
 0.92A 3af0A-3pstA:
undetectable		 3af0A-3pstA:
21.77
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.
3r4r HYPOTHETICAL
FIMBRIAL ASSEMBLY
PROTEIN

(Parabacteroides
distasonis) 		PF06321
(P_gingi_FimA) 		4 VAL A 249
LEU A 207
GLY A 198
TYR A 200
 SO4  A 319 (-3.7A)
None
None
None
 0.99A 3af0A-3r4rA:
undetectable		 3af0A-3r4rA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgi DNA LIGASE

(Mycobacterium
tuberculosis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB) 		4 LEU A 306
GLY A 113
HIS A 117
TYR A 118
 None
 1.03A 3af0A-3sgiA:
undetectable		 3af0A-3sgiA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		4 ASP A 127
LEU A 136
HIS A  72
TYR A  75
 None
 1.05A 3af0A-3te7A:
undetectable		 3af0A-3te7A:
19.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tqc PANTOTHENATE KINASE

(Coxiella
burnetii) 		PF00485
(PRK) 		8 VAL A  98
ASP A 128
LEU A 131
LYS A 146
GLY A 147
TYR A 152
HIS A 178
TYR A 181
 ADP  A 500 ( 4.4A)
None
None
None
None
None
None
None
 0.58A 3af0A-3tqcA:
37.6		 3af0A-3tqcA:
51.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uho GLUTAMATE RACEMASE

(Campylobacter
jejuni) 		PF01177
(Asp_Glu_race) 		4 VAL A  37
LEU A  13
TYR A  30
HIS A 182
 DGL  A 260 ( 4.8A)
None
None
DGL  A 260 (-4.3A)
 1.04A 3af0A-3uhoA:
undetectable		 3af0A-3uhoA:
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 VAL A 165
ASP A 105
LEU A 433
GLY A 154
 None
 0.99A 3af0A-3vrbA:
undetectable		 3af0A-3vrbA:
19.53
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.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		4 VAL A 229
ASP A 239
GLY A 334
HIS A 238
 None
 0.91A 3af0A-3w4rA:
undetectable		 3af0A-3w4rA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wl1 CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		4 VAL A 229
ASP A 239
GLY A 334
HIS A 238
 None
 0.88A 3af0A-3wl1A:
undetectable		 3af0A-3wl1A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a29 ENGINEERED
RETRO-ALDOL ENZYME
RA95.0

(synthetic
construct) 		PF00218
(IGPS) 		4 VAL A 103
ASP A 128
LEU A  33
GLY A  79
 None
 0.98A 3af0A-4a29A:
undetectable		 3af0A-4a29A:
22.19
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 ASP A 259
GLY A 309
HIS A 316
TYR A 317
 None
 0.98A 3af0A-4a6eA:
undetectable		 3af0A-4a6eA:
21.89
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.
4ct3 ORF30/ORF32

(Staphylococcus
virus K) 		PF05257
(CHAP) 		4 VAL A 163
LEU A  12
LYS A 101
GLY A 102
 None
 0.72A 3af0A-4ct3A:
undetectable		 3af0A-4ct3A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 VAL A 133
ASP A 137
LEU A 176
GLY A 140
 None
 0.97A 3af0A-4d5gA:
undetectable		 3af0A-4d5gA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eyg TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 ASP A 255
LEU A 147
GLY A 129
HIS A 276
 VNL  A 401 (-3.5A)
None
VNL  A 401 (-3.7A)
None
 1.03A 3af0A-4eygA:
undetectable		 3af0A-4eygA:
19.59
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.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		4 LYS A  52
GLY A  51
HIS A  98
TYR A  97
 LYS  A  52 ( 0.0A)
GLY  A  51 ( 0.0A)
HIS  A  98 ( 1.0A)
TYR  A  97 ( 1.3A)
 0.82A 3af0A-4g41A:
undetectable		 3af0A-4g41A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gmk RIBOSE-5-PHOSPHATE
ISOMERASE A

(Lactobacillus
salivarius) 		PF06026
(Rib_5-P_isom_A) 		4 VAL A  51
ASP A  80
GLY A  25
HIS A  78
 None
 1.01A 3af0A-4gmkA:
undetectable		 3af0A-4gmkA:
21.41
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.
4hfn ALLYL ALCOHOL
DEHYDROGENASE

(Nicotiana
tabacum) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 VAL A  82
LEU A 295
GLY A 135
TYR A 291
 None
 0.87A 3af0A-4hfnA:
undetectable		 3af0A-4hfnA:
18.88
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.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		4 VAL A 212
ASP A 173
GLY A 224
TYR A 247
 None
 1.04A 3af0A-4hzhA:
undetectable		 3af0A-4hzhA:
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.
4jj6 ACETYL XYLAN
ESTERASE

(Geobacillus
stearothermophilus) 		PF13472
(Lipase_GDSL_2) 		4 ASP A  68
LEU A  69
GLY A  13
TYR A 113
 None
 0.95A 3af0A-4jj6A:
undetectable		 3af0A-4jj6A:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4maf ATP SULFURYLASE

(Glycine max) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 LEU A 281
GLY A 283
HIS A 323
TYR A 324
 None
 0.91A 3af0A-4mafA:
undetectable		 3af0A-4mafA:
24.02
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		4 VAL A 134
ASP A 270
GLY A 121
HIS A 114
 None
None
None
MN  A 400 (-3.3A)
 1.05A 3af0A-4mynA:
undetectable		 3af0A-4mynA:
22.82
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.
4ocs CAP256-VRC26.10
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H  95
GLY H 100
TYR H  99
HIS H  35
 None
 0.90A 3af0A-4ocsH:
undetectable		 3af0A-4ocsH:
19.44
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		4 VAL A 414
ASP A  99
GLY A 240
HIS A 171
 NI  A1003 ( 4.6A)
NI  A1001 (-2.7A)
None
NI  A1002 (-3.3A)
 0.92A 3af0A-4q2cA:
undetectable		 3af0A-4q2cA:
17.38
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.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 VAL A 241
GLY A 386
TYR A 315
HIS A 130
 None
None
CTT  A1001 (-4.2A)
CTT  A1001 (-4.1A)
 0.98A 3af0A-4qljA:
undetectable		 3af0A-4qljA:
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.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		4 LEU A 346
GLY A 335
TYR A 691
HIS A 396
 None
None
TRS  A 803 (-4.6A)
TRS  A 803 (-3.9A)
 0.96A 3af0A-4rhhA:
undetectable		 3af0A-4rhhA:
18.36
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.
4rya ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL)

(Agrobacterium
vitis) 		PF01547
(SBP_bac_1) 		4 VAL A 265
LEU A 349
GLY A 344
TYR A 350
 None
 0.79A 3af0A-4ryaA:
undetectable		 3af0A-4ryaA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tu3 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74

(Saccharomyces
cerevisiae) 		PF05719
(GPP34) 		4 ASP A 114
LEU A 326
GLY A 323
TYR A 294
 None
 0.93A 3af0A-4tu3A:
undetectable		 3af0A-4tu3A:
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		4 LEU A 646
LYS A 136
GLY A 135
TYR A 649
 None
 0.91A 3af0A-4xhbA:
undetectable		 3af0A-4xhbA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7i MYOTUBULARIN-RELATED
PROTEIN 8

(Homo sapiens) 		PF06602
(Myotub-related) 		4 ASP A 449
LEU A 450
GLY A 441
TYR A 453
 None
 1.03A 3af0A-4y7iA:
undetectable		 3af0A-4y7iA:
23.70
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.
5agt LEUCINE--TRNA LIGASE

(Mycobacterium
tuberculosis) 		PF13603
(tRNA-synt_1_2) 		4 VAL A 349
LYS A 405
GLY A 407
TYR A 387
 None
 0.88A 3af0A-5agtA:
undetectable		 3af0A-5agtA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cl2 SPORULATION-CONTROL
PROTEIN SPO0M

(Bacillus
subtilis) 		PF07070
(Spo0M) 		4 VAL A 172
LEU A 219
GLY A 217
TYR A 223
 None
 0.94A 3af0A-5cl2A:
undetectable		 3af0A-5cl2A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		4 LYS A  52
GLY A  51
HIS A  98
TYR A  97
 None
 0.89A 3af0A-5dk6A:
undetectable		 3af0A-5dk6A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5evj ARSENITE
METHYLTRANSFERASE

(Chlamydomonas
reinhardtii) 		PF13847
(Methyltransf_31) 		4 LEU A 333
GLY A  81
TYR A 332
TYR A 293
 None
 0.85A 3af0A-5evjA:
undetectable		 3af0A-5evjA:
24.08
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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		4 VAL A 260
ASP A 108
LEU A 217
GLY A 154
 None
ZN  A2001 ( 3.8A)
None
None
 0.92A 3af0A-5fb3A:
undetectable		 3af0A-5fb3A:
22.34
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.
5frd CARBOXYLESTERASE
(EST-2)

(Archaeoglobus
fulgidus) 		PF12697
(Abhydrolase_6) 		4 VAL A  62
ASP A 168
LEU A  90
HIS A  54
 None
None
CL  A1258 (-4.5A)
None
 0.91A 3af0A-5frdA:
undetectable		 3af0A-5frdA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		4 ASP A 267
LEU A 514
TYR A 510
TYR A 522
 CA  A 546 (-3.0A)
None
None
None
 1.05A 3af0A-5g5zA:
undetectable		 3af0A-5g5zA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		4 VAL A 218
GLY A 349
TYR A 293
HIS A 119
 None
None
ACT  A 501 ( 4.8A)
None
 0.96A 3af0A-5idiA:
undetectable		 3af0A-5idiA:
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.
5iuf BIFUNCTIONAL
OLIGORIBONUCLEASE
AND PAP PHOSPHATASE
NRNA

(Bacillus
subtilis) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 VAL A 123
ASP A  24
GLY A  29
HIS A  20
 None
 0.75A 3af0A-5iufA:
1.9		 3af0A-5iufA:
23.12
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.
5jd3 LAE5

(uncultured
bacterium) 		PF13472
(Lipase_GDSL_2) 		4 ASP A  69
LEU A  70
GLY A  13
TYR A 114
 None
 1.00A 3af0A-5jd3A:
1.9		 3af0A-5jd3A:
20.45
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.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		4 VAL A 152
ASP A  72
GLY A 113
TYR A 164
 None
 0.94A 3af0A-5k1uA:
undetectable		 3af0A-5k1uA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2d ENDOGLUCANASE-LIKE
PROTEIN

(Acremonium
chrysogenum) 		no annotation 4 VAL A  49
GLY A  20
HIS A  16
TYR A  15
 None
 0.99A 3af0A-5m2dA:
undetectable		 3af0A-5m2dA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m72 SIGNAL RECOGNITION
PARTICLE SUBUNIT
SRP72
SIGNAL RECOGNITION
PARTICLE SUBUNIT
SRP68

(Homo sapiens;
Homo sapiens) 		PF17004
(SRP_TPR_like)
PF16969
(SRP68) 		4 LEU A 135
GLY A 116
TYR A 132
HIS B 597
 None
 0.86A 3af0A-5m72A:
undetectable		 3af0A-5m72A:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		4 VAL A 186
LEU A  25
TYR A 204
HIS A 152
 None
 0.99A 3af0A-5szsA:
undetectable		 3af0A-5szsA:
13.09
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM6

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		4 VAL 6 573
LEU 6 830
LYS 6 545
GLY 6 546
 None
 0.91A 3af0A-5udb6:
undetectable		 3af0A-5udb6:
14.66
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.
5uto EDD DOMAIN PROTEIN,
DEGV FAMILY

(Staphylococcus
aureus) 		no annotation 4 VAL A  30
GLY A 264
TYR A  12
HIS A 270
 None
None
None
PLM  A 301 (-3.5A)
 0.93A 3af0A-5utoA:
undetectable		 3af0A-5utoA:
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.
5uwz ALDEHYDE
DECARBONYLASE

(Gloeobacter
violaceus) 		no annotation 4 VAL A 137
ASP A 131
LEU A  75
TYR A  22
 None
None
None
STE  A 303 (-4.5A)
 1.01A 3af0A-5uwzA:
undetectable		 3af0A-5uwzA:
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.
5w16 GLUTAMATE RACEMASE

(Thermus
thermophilus) 		no annotation 4 VAL A  42
LEU A  18
TYR A  35
HIS A 178
 NO3  A 302 (-4.9A)
None
None
DGL  A 301 ( 3.9A)
 1.00A 3af0A-5w16A:
undetectable		 3af0A-5w16A:
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 4 ASP A 397
LEU A 400
LYS A 417
GLY A 418
 None
 1.04A 3af0A-5xioA:
undetectable		 3af0A-5xioA:
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.
5xmb PANTOTHENATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 4 VAL A  99
ASP A 129
GLY A 148
TYR A 182
 SO4  A 401 ( 4.2A)
None
None
None
 0.83A 3af0A-5xmbA:
37.8		 3af0A-5xmbA:
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.
5xmb PANTOTHENATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 6 VAL A  99
ASP A 129
LEU A 132
GLY A 148
TYR A 153
HIS A 179
 SO4  A 401 ( 4.2A)
None
None
None
None
None
 0.72A 3af0A-5xmbA:
37.8		 3af0A-5xmbA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
RNA POLYMERASE II
SUBUNIT B12.5

(Komagataella
phaffii;
Komagataella
phaffii;
Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF13656
(RNA_pol_L_2) 		4 VAL B 992
ASP A 357
GLY B 832
HIS K  65
 None
 0.88A 3af0A-5xogB:
undetectable		 3af0A-5xogB:
13.76
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 4 VAL A 161
ASP A 204
LEU A 292
HIS A 208
 NDP  A 502 ( 4.0A)
MN  A 501 ( 2.3A)
None
MN  A 501 ( 3.5A)
 0.94A 3af0A-5yvsA:
undetectable		 3af0A-5yvsA:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 4 VAL B 388
ASP B 223
LEU B 222
GLY B 384
 None
 0.99A 3af0A-6btmB:
undetectable		 3af0A-6btmB:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 ASP A 890
LEU A 990
GLY A 988
TYR A 532
 None
 0.99A 3af0A-6etzA:
undetectable		 3af0A-6etzA:
undetectable