SIMILAR PATTERNS OF AMINO ACIDS FOR 6F6I_A_8PRA509

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.
1b8x PROTEIN (AML-1B)

(Escherichia
coli) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A 169
ALA A 157
LEU A 142
LEU A 129
LEU A 175
 None
 1.07A 6f6iA-1b8xA:
undetectable
6f6iB-1b8xA:
undetectable		 6f6iA-1b8xA:
17.95
6f6iB-1b8xA:
13.70
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.
1bg5 FUSION PROTEIN OF
ALPHA-NA,K-ATPASE
WITH GLUTATHIONE
S-TRANSFERASE

(Rattus
norvegicus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A 170
ALA A 158
LEU A 143
LEU A 130
LEU A 176
 None
 0.90A 6f6iA-1bg5A:
undetectable
6f6iB-1bg5A:
undetectable		 6f6iA-1bg5A:
16.67
6f6iB-1bg5A:
14.29
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.
1hg2 CLATHRIN ASSEMBLY
PROTEIN SHORT FORM

(Rattus
norvegicus) 		PF07651
(ANTH) 		5 VAL A  26
LEU A  63
ALA A  29
LEU A  85
LEU A  59
 None
 1.12A 6f6iA-1hg2A:
undetectable
6f6iB-1hg2A:
undetectable		 6f6iA-1hg2A:
13.94
6f6iB-1hg2A:
14.48
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.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 ARG A 141
VAL A 144
ALA A 140
GLY A 111
LEU A 118
 None
None
None
SAM  A 301 (-4.2A)
None
 0.94A 6f6iA-1i9gA:
0.0
6f6iB-1i9gA:
0.0		 6f6iA-1i9gA:
14.98
6f6iB-1i9gA:
14.39
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.
1in0 YAJQ PROTEIN

(Haemophilus
influenzae) 		PF04461
(DUF520) 		5 VAL A  19
LEU A  65
GLU A  20
ALA A  18
LEU A  79
 None
MMC  A 201 (-4.4A)
None
MMC  A 201 ( 3.7A)
HG  A 202 ( 4.3A)
 1.15A 6f6iA-1in0A:
undetectable
6f6iB-1in0A:
undetectable		 6f6iA-1in0A:
18.24
6f6iB-1in0A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		5 LEU A 415
GLY A 291
LEU A 382
TYR A 294
LEU A 411
 None
 0.71A 6f6iA-1qfxA:
undetectable
6f6iB-1qfxA:
undetectable		 6f6iA-1qfxA:
10.00
6f6iB-1qfxA:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qk1 CREATINE KINASE,
UBIQUITOUS
MITOCHONDRIAL

(Homo sapiens) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 VAL A 255
LEU A 160
GLU A 256
GLY A 251
LEU A 157
 None
 0.99A 6f6iA-1qk1A:
undetectable
6f6iB-1qk1A:
0.0		 6f6iA-1qk1A:
13.08
6f6iB-1qk1A:
12.20
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.
1s16 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 VAL A1350
LEU A1287
ALA A1353
LEU A1253
LEU A1283
 None
 1.07A 6f6iA-1s16A:
undetectable
6f6iB-1s16A:
0.0		 6f6iA-1s16A:
13.85
6f6iB-1s16A:
11.08
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.
1sq8 DH434

(Escherichia
virus Lambda) 		PF01381
(HTH_3) 		5 ARG A   7
LEU A  59
GLU A   4
LEU A  48
LEU A  52
 None
 1.13A 6f6iA-1sq8A:
undetectable
6f6iB-1sq8A:
undetectable		 6f6iA-1sq8A:
25.00
6f6iB-1sq8A:
21.33
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.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE

(Staphylococcus
aureus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 VAL A 273
ALA A  43
GLY A 154
LEU A 334
LEU A 283
 None
 0.79A 6f6iA-1tvzA:
0.0
6f6iB-1tvzA:
undetectable		 6f6iA-1tvzA:
12.34
6f6iB-1tvzA:
14.12
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ARG A 476
VAL A 475
LEU A 390
LEU A 508
LEU A 386
 None
 1.10A 6f6iA-1uaaA:
0.0
6f6iB-1uaaA:
undetectable		 6f6iA-1uaaA:
7.99
6f6iB-1uaaA:
8.19
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.
1wfm SYNAPTOTAGMIN XIII

(Homo sapiens) 		PF00168
(C2) 		5 VAL A  30
LEU A  28
LEU A  15
THR A  63
LEU A  92
 None
 1.13A 6f6iA-1wfmA:
undetectable
6f6iB-1wfmA:
undetectable		 6f6iA-1wfmA:
22.14
6f6iB-1wfmA:
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.
1wl1 OCTOPRENYL-DIPHOSPHA
TE SYNTHASE

(Thermotoga
maritima) 		PF00348
(polyprenyl_synt) 		5 ARG A  19
LEU A 177
ALA A  69
LEU A 128
LEU A 181
 None
 1.02A 6f6iA-1wl1A:
undetectable
6f6iB-1wl1A:
undetectable		 6f6iA-1wl1A:
14.86
6f6iB-1wl1A:
13.83
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.
1x1o NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Thermus
thermophilus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 VAL A  90
LEU A  55
GLU A  89
LEU A 111
LEU A  58
 None
 1.18A 6f6iA-1x1oA:
undetectable
6f6iB-1x1oA:
0.0		 6f6iA-1x1oA:
14.62
6f6iB-1x1oA:
12.94
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		5 VAL A 395
LEU A 388
ALA A 412
GLY A 411
LEU A 384
 None
 0.86A 6f6iA-1yt8A:
undetectable
6f6iB-1yt8A:
undetectable		 6f6iA-1yt8A:
12.98
6f6iB-1yt8A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 VAL A 130
LEU A 150
GLY A 154
LEU A 145
LEU A 120
 None
 1.00A 6f6iA-1zzmA:
undetectable
6f6iB-1zzmA:
undetectable		 6f6iA-1zzmA:
17.20
6f6iB-1zzmA:
15.68
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.
2c63 14-3-3 PROTEIN ETA

(Homo sapiens) 		PF00244
(14-3-3) 		5 VAL A 146
LEU A 134
GLU A 148
ALA A 149
LEU A 101
 None
 1.13A 6f6iA-2c63A:
undetectable
6f6iB-2c63A:
undetectable		 6f6iA-2c63A:
14.98
6f6iB-2c63A:
15.09
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.
2f5u VIRION PROTEIN UL25

(Human
alphaherpesvirus
1) 		PF01499
(Herpes_UL25) 		5 VAL A 236
LEU A 267
ALA A 235
THR A 378
LEU A 264
 None
 1.04A 6f6iA-2f5uA:
undetectable
6f6iB-2f5uA:
undetectable		 6f6iA-2f5uA:
12.06
6f6iB-2f5uA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3h UNCHARACTERIZED CBS
DOMAIN-CONTAINING
PROTEIN

(Corynebacterium
glutamicum) 		PF03471
(CorC_HlyC) 		5 VAL A  26
LEU A  34
GLU A  25
ALA A  29
LEU A  82
 None
None
None
EDO  A 301 ( 4.2A)
None
 1.15A 6f6iA-2p3hA:
undetectable
6f6iB-2p3hA:
undetectable		 6f6iA-2p3hA:
17.89
6f6iB-2p3hA:
28.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 VAL A 694
LEU A 714
GLU A 696
ALA A 697
LEU A 608
 None
 1.09A 6f6iA-2vf8A:
undetectable
6f6iB-2vf8A:
undetectable		 6f6iA-2vf8A:
7.39
6f6iB-2vf8A:
7.93
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.
2wsm HYDROGENASE
EXPRESSION/FORMATION
PROTEIN (HYPB)

(Archaeoglobus
fulgidus) 		PF02492
(cobW) 		5 ARG A  49
LEU A 113
GLU A  52
LEU A 195
LEU A 208
 None
 1.03A 6f6iA-2wsmA:
undetectable
6f6iB-2wsmA:
undetectable		 6f6iA-2wsmA:
17.21
6f6iB-2wsmA:
17.55
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 VAL A  95
LEU A  93
ALA A  83
GLY A  84
LEU A 168
 None
 0.81A 6f6iA-3azqA:
undetectable
6f6iB-3azqA:
undetectable		 6f6iA-3azqA:
8.71
6f6iB-3azqA:
11.82
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.
3beo UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
anthracis) 		PF02350
(Epimerase_2) 		5 VAL A 362
LEU A  27
GLU A 363
LEU A  96
LEU A  23
 None
 1.14A 6f6iA-3beoA:
undetectable
6f6iB-3beoA:
undetectable		 6f6iA-3beoA:
13.56
6f6iB-3beoA:
13.58
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.
3cer POSSIBLE
EXOPOLYPHOSPHATASE-L
IKE PROTEIN

(Bifidobacterium
longum) 		PF02541
(Ppx-GppA) 		5 LEU A 149
GLU A 308
ALA A 309
GLY A 223
LEU A 160
 None
 0.81A 6f6iA-3cerA:
undetectable
6f6iB-3cerA:
undetectable		 6f6iA-3cerA:
14.70
6f6iB-3cerA:
15.60
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.
3cer POSSIBLE
EXOPOLYPHOSPHATASE-L
IKE PROTEIN

(Bifidobacterium
longum) 		PF02541
(Ppx-GppA) 		5 VAL A 306
LEU A 149
ALA A 309
GLY A 223
LEU A 160
 None
 1.03A 6f6iA-3cerA:
undetectable
6f6iB-3cerA:
undetectable		 6f6iA-3cerA:
14.70
6f6iB-3cerA:
15.60
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ARG A 244
VAL A 246
LEU A 248
LEU A 258
LEU A 217
 None
None
MPD  A 801 ( 4.7A)
None
None
 0.86A 6f6iA-3cmgA:
undetectable
6f6iB-3cmgA:
undetectable		 6f6iA-3cmgA:
8.62
6f6iB-3cmgA:
10.68
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.
3cru GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME

(Schistosoma
japonicum) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A 170
ALA A 158
LEU A 143
LEU A 130
LEU A 176
 None
 0.91A 6f6iA-3cruA:
undetectable
6f6iB-3cruA:
undetectable		 6f6iA-3cruA:
15.49
6f6iB-3cruA:
14.95
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.
3csy ENVELOPE
GLYCOPROTEIN GP2

(Zaire
ebolavirus) 		no annotation 5 LEU J 515
TYR J 517
THR J 519
MET J 548
LEU J 558
 None
 0.32A 6f6iA-3csyJ:
undetectable
6f6iB-3csyJ:
9.6		 6f6iA-3csyJ:
21.01
6f6iB-3csyJ:
98.75
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 LEU A  53
GLU A  44
LEU A  92
LEU A  64
LEU A  78
 None
 1.09A 6f6iA-3cvrA:
undetectable
6f6iB-3cvrA:
undetectable		 6f6iA-3cvrA:
8.95
6f6iB-3cvrA:
8.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d00 TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT E

(Syntrophus
aciditrophicus) 		PF02663
(FmdE) 		5 GLU A 133
ALA A 137
GLY A 138
LEU A 142
LEU A 101
 None
 1.17A 6f6iA-3d00A:
undetectable
6f6iB-3d00A:
undetectable		 6f6iA-3d00A:
20.22
6f6iB-3d00A:
18.67
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.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 VAL A 294
GLY A 424
LEU A 485
THR A 420
LEU A 477
 None
 1.07A 6f6iA-3dwcA:
undetectable
6f6iB-3dwcA:
undetectable		 6f6iA-3dwcA:
11.65
6f6iB-3dwcA:
10.88
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.
3fmc PUTATIVE
SUCCINYLGLUTAMATE
DESUCCINYLASE /
ASPARTOACYLASE

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 VAL A  41
LEU A 153
GLU A  45
LEU A  21
LEU A 157
 None
 1.07A 6f6iA-3fmcA:
undetectable
6f6iB-3fmcA:
undetectable		 6f6iA-3fmcA:
13.57
6f6iB-3fmcA:
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.
3gg2 SUGAR DEHYDROGENASE,
UDP-GLUCOSE/GDP-MANN
OSE DEHYDROGENASE
FAMILY

(Porphyromonas
gingivalis) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ARG A 395
VAL A 397
GLU A 463
ALA A 464
LEU A 419
 None
 1.14A 6f6iA-3gg2A:
undetectable
6f6iB-3gg2A:
undetectable		 6f6iA-3gg2A:
11.90
6f6iB-3gg2A:
9.98
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.
3i3o SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 VAL A 161
LEU A 126
ALA A 164
LEU A 123
LEU A  48
 None
 1.00A 6f6iA-3i3oA:
undetectable
6f6iB-3i3oA:
undetectable		 6f6iA-3i3oA:
17.16
6f6iB-3i3oA:
15.30
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.
3i5b WSPR RESPONSE
REGULATOR

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		5 ARG A 249
VAL A 232
LEU A 281
ALA A 233
GLY A 234
 None
 1.16A 6f6iA-3i5bA:
undetectable
6f6iB-3i5bA:
undetectable		 6f6iA-3i5bA:
18.12
6f6iB-3i5bA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ig3 PLXNA3 PROTEIN

(Mus musculus) 		PF08337
(Plexin_cytopl) 		5 VAL A1365
ALA A1366
GLY A1363
LEU A1344
LEU A1351
 None
 1.12A 6f6iA-3ig3A:
undetectable
6f6iB-3ig3A:
undetectable		 6f6iA-3ig3A:
9.03
6f6iB-3ig3A:
9.11
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.
3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 VAL A 170
GLU A 168
ALA A 169
GLY A 174
LEU A 235
 None
 1.13A 6f6iA-3jxfA:
undetectable
6f6iB-3jxfA:
undetectable		 6f6iA-3jxfA:
15.18
6f6iB-3jxfA:
14.93
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.
3mpl VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 ARG A 415
VAL A 417
ALA A 458
THR A 399
LEU A 429
 None
 0.67A 6f6iA-3mplA:
undetectable
6f6iB-3mplA:
undetectable		 6f6iA-3mplA:
14.44
6f6iB-3mplA:
18.64
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.
3mpl VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 ARG A 415
VAL A 417
LEU A 419
ALA A 458
LEU A 429
 None
None
EDO  A 543 ( 4.9A)
None
None
 0.61A 6f6iA-3mplA:
undetectable
6f6iB-3mplA:
undetectable		 6f6iA-3mplA:
14.44
6f6iB-3mplA:
18.64
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.
3oth CALG1

(Micromonospora
echinospora) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		5 VAL A 346
ALA A 349
GLY A 348
LEU A 250
LEU A 247
 None
 1.09A 6f6iA-3othA:
undetectable
6f6iB-3othA:
undetectable		 6f6iA-3othA:
11.49
6f6iB-3othA:
12.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s88 ENVELOPE
GLYCOPROTEIN

(Sudan
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		9 VAL I  66
LEU I  68
GLU I 100
ALA I 101
GLY I 102
LEU I 186
LEU J 515
TYR J 517
THR J 519
 None
 0.66A 6f6iA-3s88I:
27.3
6f6iB-3s88I:
undetectable		 6f6iA-3s88I:
74.39
6f6iB-3s88I:
14.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s88 ENVELOPE
GLYCOPROTEIN

(Sudan
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		9 VAL I  66
LEU I  68
GLU I 100
ALA I 101
GLY I 102
LEU I 186
TYR J 517
THR J 519
LEU J 558
 None
 0.68A 6f6iA-3s88I:
27.3
6f6iB-3s88I:
undetectable		 6f6iA-3s88I:
74.39
6f6iB-3s88I:
14.24
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.
3stb MP18 RNA EDITING
COMPLEX PROTEIN
RNA-EDITING COMPLEX
PROTEIN MP42

(Trypanosoma
brucei) 		PF00436
(SSB)
no annotation 		5 LEU D  27
GLY D  97
LEU D 101
MET C 294
LEU C 362
 None
 1.11A 6f6iA-3stbD:
undetectable
6f6iB-3stbD:
undetectable		 6f6iA-3stbD:
20.86
6f6iB-3stbD:
15.75
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 VAL A 100
LEU A 267
ALA A 243
GLY A 242
THR A 231
 None
 1.05A 6f6iA-3wy7A:
undetectable
6f6iB-3wy7A:
undetectable		 6f6iA-3wy7A:
11.76
6f6iB-3wy7A:
11.08
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.
3zxu CTF19
MCM21

(Kluyveromyces
lactis) 		PF09496
(CENP-O)
no annotation 		5 VAL A 127
LEU B  77
GLU A 133
GLY A 136
LEU B  81
 None
 1.13A 6f6iA-3zxuA:
undetectable
6f6iB-3zxuA:
undetectable		 6f6iA-3zxuA:
13.38
6f6iB-3zxuA:
14.59
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.
4b43 TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N) 		5 VAL A  46
LEU A  24
GLU A  44
ALA A  43
LEU A  20
 None
 1.08A 6f6iA-4b43A:
0.5
6f6iB-4b43A:
undetectable		 6f6iA-4b43A:
12.69
6f6iB-4b43A:
12.40
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.
4b9a PROBABLE EPOXIDE
HYDROLASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 LEU A   7
GLU A  55
ALA A  54
LEU A 285
LEU A  61
 None
 1.00A 6f6iA-4b9aA:
undetectable
6f6iB-4b9aA:
undetectable		 6f6iA-4b9aA:
12.71
6f6iB-4b9aA:
13.62
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.
4bwy P4

(Pseudomonas
phage phi8) 		PF11602
(NTPase_P4) 		5 VAL A 211
ALA A 105
GLY A 104
LEU A 173
LEU A 157
 None
 0.91A 6f6iA-4bwyA:
undetectable
6f6iB-4bwyA:
undetectable		 6f6iA-4bwyA:
14.02
6f6iB-4bwyA:
15.53
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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		5 VAL A  82
LEU A  86
GLU A  80
ALA A  81
LEU A 147
 None
 1.16A 6f6iA-4ctaA:
undetectable
6f6iB-4ctaA:
undetectable		 6f6iA-4ctaA:
11.65
6f6iB-4ctaA:
11.80
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.
4dgs DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 VAL A 231
ALA A 257
GLY A 256
THR A 278
LEU A 222
 None
 0.67A 6f6iA-4dgsA:
undetectable
6f6iB-4dgsA:
undetectable		 6f6iA-4dgsA:
13.70
6f6iB-4dgsA:
13.00
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.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 LEU P 462
GLU P 602
ALA P 603
THR P 606
LEU P 475
 None
 1.08A 6f6iA-4dvyP:
undetectable
6f6iB-4dvyP:
0.9		 6f6iA-4dvyP:
7.35
6f6iB-4dvyP:
6.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e10 PROTELOMERASE

(Agrobacterium
fabrum) 		PF16684
(Telomere_res) 		5 ARG A 254
VAL A 259
LEU A 317
GLU A 258
ALA A 263
 None
 1.09A 6f6iA-4e10A:
undetectable
6f6iB-4e10A:
1.3		 6f6iA-4e10A:
10.53
6f6iB-4e10A:
13.15
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.
4f41 PROTELOMERASE

(Agrobacterium
fabrum) 		PF16684
(Telomere_res) 		5 ARG A 254
VAL A 259
LEU A 317
GLU A 258
ALA A 263
 None
 1.06A 6f6iA-4f41A:
undetectable
6f6iB-4f41A:
1.1		 6f6iA-4f41A:
14.33
6f6iB-4f41A:
14.38
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.
4f7z RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00610
(DEP)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 VAL A 430
LEU A 354
LEU A 439
LEU A 339
LEU A 350
 None
 1.08A 6f6iA-4f7zA:
undetectable
6f6iB-4f7zA:
undetectable		 6f6iA-4f7zA:
7.56
6f6iB-4f7zA:
5.92
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.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 VAL A 548
LEU A 588
ALA A 535
LEU A 598
LEU A 586
 None
 0.81A 6f6iA-4hozA:
undetectable
6f6iB-4hozA:
undetectable		 6f6iA-4hozA:
9.96
6f6iB-4hozA:
8.96
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 114
LEU A  39
ALA A 113
GLY A  49
LEU A   7
 None
 0.94A 6f6iA-4ip4A:
undetectable
6f6iB-4ip4A:
undetectable		 6f6iA-4ip4A:
12.23
6f6iB-4ip4A:
9.80
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 114
LEU A  39
ALA A 113
THR A  51
LEU A   7
 None
 0.85A 6f6iA-4ip4A:
undetectable
6f6iB-4ip4A:
undetectable		 6f6iA-4ip4A:
12.23
6f6iB-4ip4A:
9.80
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.
4k82 LV-RANASPUMIN
(LV-RSN-1)

(Leptodactylus
vastus) 		no annotation 5 VAL A 169
GLY A 171
LEU A 206
LEU A 178
LEU A 163
 None
 1.13A 6f6iA-4k82A:
undetectable
6f6iB-4k82A:
undetectable		 6f6iA-4k82A:
16.67
6f6iB-4k82A:
14.15
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.
4lom IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Mycobacterium
tuberculosis) 		PF00475
(IGPD) 		5 VAL A 194
LEU A  91
GLU A 195
ALA A 193
LEU A  87
 None
 1.09A 6f6iA-4lomA:
undetectable
6f6iB-4lomA:
undetectable		 6f6iA-4lomA:
19.89
6f6iB-4lomA:
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		5 VAL A 157
LEU A 175
GLU A 156
LEU A 304
LEU A 170
 None
 1.17A 6f6iA-4p8bA:
undetectable
6f6iB-4p8bA:
undetectable		 6f6iA-4p8bA:
11.59
6f6iB-4p8bA:
13.81
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.
4pe2 MALTOSE ABC
TRANSPORTER
PERIPLASMIC
PROTEIN,PREPILIN-TYP
E N-TERMINAL
CLEAVAGE/METHYLATION
DOMAIN PROTEIN

(Clostridioides
difficile;
Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 VAL A 388
LEU A 494
ALA A 391
LEU A 430
LEU A 439
 None
 1.12A 6f6iA-4pe2A:
undetectable
6f6iB-4pe2A:
undetectable		 6f6iA-4pe2A:
10.62
6f6iB-4pe2A:
10.12
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.
4pfs COBYRINIC ACID
A,C-DIAMIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF13614
(AAA_31) 		5 VAL A  45
LEU A  47
LEU A 122
LEU A  72
LEU A 115
 None
 0.98A 6f6iA-4pfsA:
undetectable
6f6iB-4pfsA:
undetectable		 6f6iA-4pfsA:
15.44
6f6iB-4pfsA:
17.94
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		6 ARG A 415
VAL A 417
ALA A 458
LEU A 484
THR A 399
LEU A 429
 None
 1.15A 6f6iA-4q0cA:
undetectable
6f6iB-4q0cA:
undetectable		 6f6iA-4q0cA:
9.85
6f6iB-4q0cA:
10.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ubs PENTALENIC ACID
SYNTHASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 LEU A 131
GLU A 142
ALA A 141
LEU A 372
LEU A 368
 PGE  A 507 ( 4.3A)
None
None
None
None
 1.09A 6f6iA-4ubsA:
undetectable
6f6iB-4ubsA:
undetectable		 6f6iA-4ubsA:
10.69
6f6iB-4ubsA:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uyg BROMODOMAIN-CONTAINI
NG PROTEIN 2

(Homo sapiens) 		PF00439
(Bromodomain) 		5 ARG A 419
VAL A 418
LEU A 396
LEU A 357
LEU A 360
 None
 1.17A 6f6iA-4uygA:
undetectable
6f6iB-4uygA:
undetectable		 6f6iA-4uygA:
19.86
6f6iB-4uygA:
16.77
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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 VAL E  66
LEU E  68
ALA E 345
GLY E 346
LEU E 341
 None
 0.89A 6f6iA-4whbE:
undetectable
6f6iB-4whbE:
undetectable		 6f6iA-4whbE:
12.13
6f6iB-4whbE:
11.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wr4 GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME

(Schistosoma
japonicum) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A 169
ALA A 157
LEU A 142
LEU A 129
LEU A 175
 None
None
BYR  A 141 ( 4.3A)
None
None
 0.97A 6f6iA-4wr4A:
undetectable
6f6iB-4wr4A:
undetectable		 6f6iA-4wr4A:
14.96
6f6iB-4wr4A:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0b DOUBLE CLP-N MOTIF
PROTEIN

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 ARG A 131
VAL A 135
LEU A 208
LEU A 193
LEU A 115
 None
 1.13A 6f6iA-4y0bA:
undetectable
6f6iB-4y0bA:
undetectable		 6f6iA-4y0bA:
21.94
6f6iB-4y0bA:
18.44
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.
4yco TRNA-DIHYDROURIDINE
SYNTHASE C

(Escherichia
coli) 		PF01207
(Dus) 		5 LEU A   5
GLY A 224
LEU A 280
LEU A  12
LEU A  20
 None
FMN  A 401 (-3.6A)
None
None
None
 1.08A 6f6iA-4ycoA:
undetectable
6f6iB-4ycoA:
undetectable		 6f6iA-4ycoA:
15.19
6f6iB-4ycoA:
11.95
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 VAL A 329
GLU A 786
LEU A 812
LEU A 132
LEU A 136
 None
K  A2005 ( 3.6A)
None
None
None
 1.17A 6f6iA-5aw4A:
undetectable
6f6iB-5aw4A:
undetectable		 6f6iA-5aw4A:
5.92
6f6iB-5aw4A:
7.02
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.
5c94 NON-STRUCTURAL
PROTEIN 9

(Avian
coronavirus) 		PF08710
(nsp9) 		5 VAL A 100
ALA A 103
GLY A 102
MET A  75
LEU A  86
 None
 0.98A 6f6iA-5c94A:
undetectable
6f6iB-5c94A:
undetectable		 6f6iA-5c94A:
20.69
6f6iB-5c94A:
18.69
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.
5d6s EPOXYQUEUOSINE
REDUCTASE

(Streptococcus
thermophilus) 		PF08331
(DUF1730)
PF13484
(Fer4_16) 		5 GLU A 179
ALA A 143
GLY A  20
THR A  22
LEU A 165
 None
None
None
None
B12  A 403 (-4.4A)
 0.92A 6f6iA-5d6sA:
undetectable
6f6iB-5d6sA:
undetectable		 6f6iA-5d6sA:
10.51
6f6iB-5d6sA:
11.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f1b GP1

(Zaire
ebolavirus) 		PF01611
(Filo_glycop) 		5 ARG A  64
VAL A  66
LEU A  68
ALA A 101
GLY A 102
 None
 1.02A 6f6iA-5f1bA:
20.5
6f6iB-5f1bA:
undetectable		 6f6iA-5f1bA:
98.70
6f6iB-5f1bA:
21.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f1b GP1

(Zaire
ebolavirus) 		PF01611
(Filo_glycop) 		6 VAL A  66
LEU A  68
GLU A 100
ALA A 101
GLY A 102
LEU A 186
 None
 0.39A 6f6iA-5f1bA:
20.5
6f6iB-5f1bA:
undetectable		 6f6iA-5f1bA:
98.70
6f6iB-5f1bA:
21.12
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.
5fhc ENVELOPE
GLYCOPROTEIN

(Zaire
ebolavirus) 		no annotation 5 LEU J 515
TYR J 517
THR J 519
MET J 548
LEU J 558
 None
 0.37A 6f6iA-5fhcJ:
undetectable
6f6iB-5fhcJ:
9.5		 6f6iA-5fhcJ:
18.63
6f6iB-5fhcJ:
100.00
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.
5ft3 GLUTATHIONE
S-TRANSFERASE
EPSILON 2

(Aedes aegypti) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 LEU A 145
GLY A 185
TYR A 184
MET A 175
LEU A 141
 None
 1.09A 6f6iA-5ft3A:
undetectable
6f6iB-5ft3A:
undetectable		 6f6iA-5ft3A:
16.51
6f6iB-5ft3A:
18.41
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA

(Escherichia
coli) 		PF09481
(CRISPR_Cse1) 		5 VAL A 185
GLY A  55
LEU A  36
LEU A  24
LEU A  27
 None
 0.92A 6f6iA-5h9fA:
undetectable
6f6iB-5h9fA:
undetectable		 6f6iA-5h9fA:
11.21
6f6iB-5h9fA:
10.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hj3 ENVELOPE
GLYCOPROTEIN

(Ebola virus sp.) 		PF01611
(Filo_glycop) 		6 VAL C  66
LEU C  68
GLU C 100
ALA C 101
GLY C 102
LEU C 186
 None
 0.40A 6f6iA-5hj3C:
21.6
6f6iB-5hj3C:
undetectable		 6f6iA-5hj3C:
95.12
6f6iB-5hj3C:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjp NONRIBOSOMAL PEPTIDE
SYNTHASE

(Streptomyces
sp. MJ635-86F5) 		PF00501
(AMP-binding) 		5 VAL A 258
ALA A 208
LEU A 279
LEU A 240
LEU A 264
 None
 1.10A 6f6iA-5jjpA:
1.4
6f6iB-5jjpA:
undetectable		 6f6iA-5jjpA:
10.08
6f6iB-5jjpA:
8.88
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.
5jq3 ENVELOPE
GLYCOPROTEIN 2

(Zaire
ebolavirus) 		PF07921
(Fibritin_C) 		5 LEU B 515
TYR B 517
THR B 519
MET B 548
LEU B 558
 None
 0.51A 6f6iA-5jq3B:
undetectable
6f6iB-5jq3B:
12.9		 6f6iA-5jq3B:
17.71
6f6iB-5jq3B:
100.00
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.
5jxl FLAGELLAR HOOK
PROTEIN FLGE

(Campylobacter
jejuni) 		PF00460
(Flg_bb_rod)
PF06429
(Flg_bbr_C)
PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 VAL A 627
LEU A 625
ALA A 611
GLY A 612
LEU A 712
 None
 0.74A 6f6iA-5jxlA:
undetectable
6f6iB-5jxlA:
undetectable		 6f6iA-5jxlA:
7.98
6f6iB-5jxlA:
7.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		5 ARG A  64
LEU A 186
LEU B 515
TYR B 517
LEU B 558
 None
 0.91A 6f6iA-5kenA:
23.7
6f6iB-5kenA:
undetectable		 6f6iA-5kenA:
98.67
6f6iB-5kenA:
15.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		5 ARG A  64
LEU A 186
LEU B 515
TYR B 517
MET B 548
 None
 0.90A 6f6iA-5kenA:
23.7
6f6iB-5kenA:
undetectable		 6f6iA-5kenA:
98.67
6f6iB-5kenA:
15.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		5 ARG A  64
LEU A 186
TYR B 517
THR B 519
LEU B 558
 None
 0.92A 6f6iA-5kenA:
23.7
6f6iB-5kenA:
undetectable		 6f6iA-5kenA:
98.67
6f6iB-5kenA:
15.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		5 ARG A  64
LEU A 186
TYR B 517
THR B 519
MET B 548
 None
 0.99A 6f6iA-5kenA:
23.7
6f6iB-5kenA:
undetectable		 6f6iA-5kenA:
98.67
6f6iB-5kenA:
15.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		6 VAL A  66
GLY A 102
LEU A 186
TYR B 517
THR B 519
LEU B 558
 None
 0.68A 6f6iA-5kenA:
23.7
6f6iB-5kenA:
undetectable		 6f6iA-5kenA:
98.67
6f6iB-5kenA:
15.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		6 VAL A  66
LEU A  68
GLY A 102
LEU A 186
TYR B 517
LEU B 558
 None
 0.70A 6f6iA-5kenA:
23.7
6f6iB-5kenA:
undetectable		 6f6iA-5kenA:
98.67
6f6iB-5kenA:
15.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		6 VAL A  66
LEU A  68
LEU A 186
LEU B 515
TYR B 517
LEU B 558
 None
 0.79A 6f6iA-5kenA:
23.7
6f6iB-5kenA:
undetectable		 6f6iA-5kenA:
98.67
6f6iB-5kenA:
15.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		6 VAL A  66
LEU A  68
LEU A 186
LEU B 515
TYR B 517
MET B 548
 None
 0.86A 6f6iA-5kenA:
23.7
6f6iB-5kenA:
undetectable		 6f6iA-5kenA:
98.67
6f6iB-5kenA:
15.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		5 VAL A  66
LEU A 186
TYR B 517
THR B 519
MET B 548
 None
 0.72A 6f6iA-5kenA:
23.7
6f6iB-5kenA:
undetectable		 6f6iA-5kenA:
98.67
6f6iB-5kenA:
15.94
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 5 VAL A 105
LEU A 159
ALA A 109
GLY A 110
LEU A 130
 None
 1.16A 6f6iA-5n6vA:
undetectable
6f6iB-5n6vA:
undetectable		 6f6iA-5n6vA:
20.00
6f6iB-5n6vA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ogx CYTOCHROME P450
REDUCTASE

(Amycolatopsis
methanolica) 		no annotation 5 LEU A 159
GLU A 135
ALA A 188
LEU A 122
LEU A 126
 None
None
None
BR  A 404 ( 4.1A)
None
 1.00A 6f6iA-5ogxA:
undetectable
6f6iB-5ogxA:
undetectable		 6f6iA-5ogxA:
18.68
6f6iB-5ogxA:
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.
5u6v BROMODOMAIN-CONTAINI
NG PROTEIN 2

(Homo sapiens) 		no annotation 5 ARG A 419
VAL A 418
LEU A 396
LEU A 357
LEU A 360
 None
 1.08A 6f6iA-5u6vA:
undetectable
6f6iB-5u6vA:
undetectable		 6f6iA-5u6vA:
22.73
6f6iB-5u6vA:
27.06
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.
5vym BETA-GALACTOSIDASE
BGAB

(Bifidobacterium
adolescentis) 		PF08532
(Glyco_hydro_42M) 		5 VAL A 192
ALA A 191
GLY A 206
LEU A 209
LEU A 217
 None
 1.12A 6f6iA-5vymA:
1.5
6f6iB-5vymA:
undetectable		 6f6iA-5vymA:
16.24
6f6iB-5vymA:
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.
5xk2 DIACYLGLYCEROL
LIPASE

(Aspergillus
oryzae) 		no annotation 5 VAL A  52
LEU A  42
ALA A  55
GLY A  56
THR A  80
 None
 1.16A 6f6iA-5xk2A:
undetectable
6f6iB-5xk2A:
undetectable		 6f6iA-5xk2A:
22.73
6f6iB-5xk2A:
23.96
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
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)
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) 		5 VAL A  17
LEU B1216
LEU A1412
LEU A1433
MET A1432
 None
 1.16A 6f6iA-5xogA:
undetectable
6f6iB-5xogA:
undetectable		 6f6iA-5xogA:
4.27
6f6iB-5xogA:
3.87
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 5 VAL A 190
LEU A 195
GLU A 189
LEU A 204
LEU A 218
 None
 0.96A 6f6iA-5y3jA:
undetectable
6f6iB-5y3jA:
undetectable		 6f6iA-5y3jA:
17.24
6f6iB-5y3jA:
22.09
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 VAL A1425
LEU A1460
ALA A1428
LEU A1448
LEU A1451
 None
 0.78A 6f6iA-6ez8A:
undetectable
6f6iB-6ez8A:
undetectable		 6f6iA-6ez8A:
11.25
6f6iB-6ez8A:
12.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f5u ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 7 ARG A  64
VAL A  66
LEU A  68
GLU A 100
ALA A 101
GLY A 102
LEU A 186
 CQN  A 610 (-3.8A)
CQN  A 610 (-4.0A)
None
None
CQN  A 610 (-3.4A)
CQN  A 610 ( 4.5A)
None
 0.39A 6f6iA-6f5uA:
37.1
6f6iB-6f5uA:
undetectable		 6f6iA-6f5uA:
100.00
6f6iB-6f5uA:
10.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f6s ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 7 ARG A  64
VAL A  66
LEU A  68
GLU A 100
ALA A 101
GLY A 102
LEU A 186
 CXQ  A 507 (-3.6A)
None
None
None
CXQ  A 507 (-3.6A)
None
None
 0.27A 6f6iA-6f6sA:
36.2
6f6iB-6f6sA:
undetectable		 6f6iA-6f6sA:
100.00
6f6iB-6f6sA:
10.00