SIMILAR PATTERNS OF AMINO ACIDS FOR 5BTF_G_GFNG101_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 ASP A 346
ARG A 349
GLY A 381
GLU A 380
 None
CBS  A1001 (-3.0A)
None
None
 0.75A 5btfA-1c7tA:
0.0
5btfC-1c7tA:
0.0
5btfD-1c7tA:
undetectable		 5btfA-1c7tA:
21.46
5btfC-1c7tA:
21.46
5btfD-1c7tA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eke RIBONUCLEASE HII

(Methanocaldococcus
jannaschii) 		PF01351
(RNase_HII) 		4 SER A 186
ARG A  11
GLY A  10
GLU A   8
 None
 1.09A 5btfA-1ekeA:
undetectable
5btfC-1ekeA:
undetectable
5btfD-1ekeA:
undetectable		 5btfA-1ekeA:
18.98
5btfC-1ekeA:
18.98
5btfD-1ekeA:
19.19
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 SER A 283
ARG A 257
GLY A 259
GLU A 107
 None
 1.02A 5btfA-1fcdA:
undetectable
5btfC-1fcdA:
0.0
5btfD-1fcdA:
undetectable		 5btfA-1fcdA:
22.28
5btfC-1fcdA:
22.28
5btfD-1fcdA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		4 SER A 233
ASP A 163
ARG A 223
GLU A 219
 None
 1.11A 5btfA-1k1dA:
undetectable
5btfC-1k1dA:
undetectable
5btfD-1k1dA:
undetectable		 5btfA-1k1dA:
20.79
5btfC-1k1dA:
20.79
5btfD-1k1dA:
22.64
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.
1kru GALACTOSIDE
O-ACETYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF12464
(Mac)
PF14602
(Hexapep_2) 		4 ASP A 100
ARG A  80
GLY A  59
GLU A  60
 None
 1.01A 5btfA-1kruA:
0.0
5btfC-1kruA:
0.0
5btfD-1kruA:
undetectable		 5btfA-1kruA:
17.30
5btfC-1kruA:
17.30
5btfD-1kruA:
23.02
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.
1pyt CHYMOTRYPSINOGEN C

(Bos taurus) 		PF00089
(Trypsin) 		4 SER D 711
ASP D 886
GLY D 884
THR D 867
 None
 1.01A 5btfA-1pytD:
0.0
5btfC-1pytD:
0.0
5btfD-1pytD:
undetectable		 5btfA-1pytD:
18.58
5btfC-1pytD:
18.58
5btfD-1pytD:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN

(Wolinella
succinogenes) 		PF13085
(Fer2_3)
PF13183
(Fer4_8) 		4 ARG B   3
GLY B   2
THR B  81
GLU B  30
 None
 1.13A 5btfA-1qlbB:
0.0
5btfC-1qlbB:
undetectable
5btfD-1qlbB:
undetectable		 5btfA-1qlbB:
20.04
5btfC-1qlbB:
20.04
5btfD-1qlbB:
22.26
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 SER A 386
ASP A 574
ARG A 570
GLU A 567
 None
 1.03A 5btfA-1rqgA:
0.0
5btfC-1rqgA:
0.0
5btfD-1rqgA:
2.7		 5btfA-1rqgA:
21.17
5btfC-1rqgA:
21.17
5btfD-1rqgA:
17.69
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ARG A 303
ASP A  22
THR A 287
GLU A  15
 None
 0.92A 5btfA-1up4A:
0.0
5btfC-1up4A:
0.0
5btfD-1up4A:
1.6		 5btfA-1up4A:
22.62
5btfC-1up4A:
22.62
5btfD-1up4A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vax URIC ACID OXIDASE

(Arthrobacter
globiformis) 		PF01014
(Uricase) 		4 ARG A 285
ARG A 231
GLY A 230
GLU A 228
 None
 0.92A 5btfA-1vaxA:
undetectable
5btfC-1vaxA:
undetectable
5btfD-1vaxA:
undetectable		 5btfA-1vaxA:
21.63
5btfC-1vaxA:
21.63
5btfD-1vaxA:
23.40
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.
1vdc NADPH DEPENDENT
THIOREDOXIN
REDUCTASE

(Arabidopsis
thaliana) 		PF07992
(Pyr_redox_2) 		4 ARG A  69
GLY A  40
THR A  81
GLU A  35
 None
 0.67A 5btfA-1vdcA:
undetectable
5btfC-1vdcA:
undetectable
5btfD-1vdcA:
undetectable		 5btfA-1vdcA:
20.90
5btfC-1vdcA:
20.90
5btfD-1vdcA:
22.16
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.
1ve2 UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 SER A 117
ARG A  94
GLY A  95
GLU A  97
 None
 1.03A 5btfA-1ve2A:
undetectable
5btfC-1ve2A:
undetectable
5btfD-1ve2A:
undetectable		 5btfA-1ve2A:
19.88
5btfC-1ve2A:
19.88
5btfD-1ve2A:
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.
1viw ALPHA-AMYLASE-INHIBI
TOR

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		4 ASP B 103
GLY B 184
THR B  72
GLU B 191
 None
 1.12A 5btfA-1viwB:
undetectable
5btfC-1viwB:
undetectable
5btfD-1viwB:
undetectable		 5btfA-1viwB:
15.64
5btfC-1viwB:
15.64
5btfD-1viwB:
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.
1y8a HYPOTHETICAL PROTEIN
AF1437

(Archaeoglobus
fulgidus) 		no annotation 4 ASP A 239
ARG A 219
GLY A 220
GLU A 216
 None
 1.07A 5btfA-1y8aA:
undetectable
5btfC-1y8aA:
undetectable
5btfD-1y8aA:
undetectable		 5btfA-1y8aA:
24.44
5btfC-1y8aA:
24.44
5btfD-1y8aA:
23.43
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.
1ybm UNKNOWN PROTEIN
AT5G02240

(Arabidopsis
thaliana) 		PF13460
(NAD_binding_10) 		4 ASP A 227
ARG A 173
GLY A 132
GLU A 159
 None
None
NAP  A 400 (-4.4A)
None
 1.11A 5btfA-1ybmA:
undetectable
5btfC-1ybmA:
undetectable
5btfD-1ybmA:
2.8		 5btfA-1ybmA:
19.96
5btfC-1ybmA:
19.96
5btfD-1ybmA:
24.30
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.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		4 ARG A 196
ARG A 216
GLY A 220
GLU A 219
 None
 0.94A 5btfA-2b4eA:
undetectable
5btfC-2b4eA:
undetectable
5btfD-2b4eA:
undetectable		 5btfA-2b4eA:
22.61
5btfC-2b4eA:
22.61
5btfD-2b4eA:
21.45
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		4 SER A 135
ASP A  89
ARG A 751
GLY A  73
 None
 1.14A 5btfA-2cn3A:
undetectable
5btfC-2cn3A:
undetectable
5btfD-2cn3A:
undetectable		 5btfA-2cn3A:
20.54
5btfC-2cn3A:
20.54
5btfD-2cn3A:
16.44
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.
2d7u ADENYLOSUCCINATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 SER A 271
GLY A 177
THR A  59
GLU A 176
 None
 1.11A 5btfA-2d7uA:
undetectable
5btfC-2d7uA:
undetectable
5btfD-2d7uA:
undetectable		 5btfA-2d7uA:
21.29
5btfC-2d7uA:
21.29
5btfD-2d7uA:
22.92
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		4 SER A 231
ASP A 174
ARG A 180
GLY A 190
 None
GLN  A 501 (-4.5A)
None
None
 1.00A 5btfA-2f2aA:
undetectable
5btfC-2f2aA:
undetectable
5btfD-2f2aA:
undetectable		 5btfA-2f2aA:
21.97
5btfC-2f2aA:
21.97
5btfD-2f2aA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzh RAS-RELATED PROTEIN
RAB-11A

(Homo sapiens) 		PF00071
(Ras) 		4 ARG A 132
SER A 126
ASP A 137
GLU A 144
 None
 0.97A 5btfA-2gzhA:
undetectable
5btfC-2gzhA:
undetectable
5btfD-2gzhA:
3.4		 5btfA-2gzhA:
17.21
5btfC-2gzhA:
17.21
5btfD-2gzhA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		4 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.94A 5btfA-2j6lA:
undetectable
5btfC-2j6lA:
undetectable
5btfD-2j6lA:
undetectable		 5btfA-2j6lA:
22.97
5btfC-2j6lA:
22.97
5btfD-2j6lA:
19.76
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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii) 		PF00171
(Aldedh) 		4 SER A 429
GLY A 469
THR A 244
GLU A 267
 None
None
NAD  A1510 (-4.1A)
NAD  A1510 (-3.9A)
 0.99A 5btfA-2jg7A:
undetectable
5btfC-2jg7A:
undetectable
5btfD-2jg7A:
4.1		 5btfA-2jg7A:
22.82
5btfC-2jg7A:
22.82
5btfD-2jg7A:
18.93
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.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ARG A 138
SER A 360
ASP A 705
GLY A 146
 None
 1.11A 5btfA-2jirA:
undetectable
5btfC-2jirA:
undetectable
5btfD-2jirA:
undetectable		 5btfA-2jirA:
22.10
5btfC-2jirA:
22.10
5btfD-2jirA:
17.66
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.
2o4c ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		4 ARG A 338
ASP A 241
ARG A 218
GLU A 222
 None
 0.79A 5btfA-2o4cA:
undetectable
5btfC-2o4cA:
undetectable
5btfD-2o4cA:
undetectable		 5btfA-2o4cA:
24.32
5btfC-2o4cA:
24.32
5btfD-2o4cA:
24.48
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.
2pka KALLIKREIN A

(Sus scrofa) 		PF00089
(Trypsin) 		4 SER B 110
ARG A  70
GLY A  69
GLU A  77
 None
 1.04A 5btfA-2pkaB:
undetectable
5btfC-2pkaB:
undetectable
5btfD-2pkaB:
undetectable		 5btfA-2pkaB:
14.80
5btfC-2pkaB:
14.80
5btfD-2pkaB:
20.80
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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 SER A  82
ARG A 172
GLY A 171
GLU A 170
 None
 0.84A 5btfA-2q0xA:
undetectable
5btfC-2q0xA:
undetectable
5btfD-2q0xA:
2.5		 5btfA-2q0xA:
23.50
5btfC-2q0xA:
23.50
5btfD-2q0xA:
22.13
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.
2qni UNCHARACTERIZED
PROTEIN ATU0299

(Agrobacterium
fabrum) 		PF00300
(His_Phos_1) 		4 ARG A 177
GLY A 176
THR A 208
GLU A 175
 None
 1.09A 5btfA-2qniA:
undetectable
5btfC-2qniA:
undetectable
5btfD-2qniA:
undetectable		 5btfA-2qniA:
19.63
5btfC-2qniA:
19.63
5btfD-2qniA:
18.60
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.
2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER A 195
ASP A 217
ARG A 221
GLY A 221
 None
 0.94A 5btfA-2r0lA:
undetectable
5btfC-2r0lA:
undetectable
5btfD-2r0lA:
undetectable		 5btfA-2r0lA:
18.29
5btfC-2r0lA:
18.29
5btfD-2r0lA:
23.00
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		4 ARG A 350
ASP A 399
ARG A 432
GLU A 285
 None
 1.00A 5btfA-2uvfA:
undetectable
5btfC-2uvfA:
undetectable
5btfD-2uvfA:
undetectable		 5btfA-2uvfA:
22.86
5btfC-2uvfA:
22.86
5btfD-2uvfA:
18.70
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.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		4 ASP A 447
ARG A 445
GLY A 444
GLU A 324
 None
 1.04A 5btfA-2wxzA:
undetectable
5btfC-2wxzA:
undetectable
5btfD-2wxzA:
undetectable		 5btfA-2wxzA:
22.64
5btfC-2wxzA:
22.64
5btfD-2wxzA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ARG A 351
ASP A 644
GLY A 600
GLU A 588
 None
CA  A 800 ( 2.8A)
None
None
 0.99A 5btfA-2wzsA:
undetectable
5btfC-2wzsA:
undetectable
5btfD-2wzsA:
undetectable		 5btfA-2wzsA:
19.65
5btfC-2wzsA:
19.65
5btfD-2wzsA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 SER A 710
ARG A 664
GLY A 696
GLU A 179
 PGR  A1777 ( 3.5A)
PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
 0.92A 5btfA-2xe4A:
undetectable
5btfC-2xe4A:
undetectable
5btfD-2xe4A:
3.4		 5btfA-2xe4A:
20.42
5btfC-2xe4A:
20.42
5btfD-2xe4A:
16.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ASP A 397
ARG A 418
GLY A 419
GLU A 437
 None
 0.61A 5btfA-2xkkA:
48.0
5btfC-2xkkA:
48.1
5btfD-2xkkA:
26.3		 5btfA-2xkkA:
30.73
5btfC-2xkkA:
30.73
5btfD-2xkkA:
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.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 ARG A 218
GLY A 217
THR A  98
GLU A 215
 None
 0.79A 5btfA-2yijA:
undetectable
5btfC-2yijA:
undetectable
5btfD-2yijA:
undetectable		 5btfA-2yijA:
22.12
5btfC-2yijA:
22.12
5btfD-2yijA:
20.43
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.
2z1n DEHYDROGENASE

(Aeropyrum
pernix) 		PF13561
(adh_short_C2) 		4 SER A  16
ASP A  66
ARG A  68
GLU A 111
 None
 1.11A 5btfA-2z1nA:
undetectable
5btfC-2z1nA:
undetectable
5btfD-2z1nA:
1.9		 5btfA-2z1nA:
22.76
5btfC-2z1nA:
22.76
5btfD-2z1nA:
23.49
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.
2z1n DEHYDROGENASE

(Aeropyrum
pernix) 		PF13561
(adh_short_C2) 		4 SER A  17
ASP A  66
ARG A  68
GLU A 111
 None
 0.90A 5btfA-2z1nA:
undetectable
5btfC-2z1nA:
undetectable
5btfD-2z1nA:
1.9		 5btfA-2z1nA:
22.76
5btfC-2z1nA:
22.76
5btfD-2z1nA:
23.49
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.
3ab0 ANTIBODY SCFV
FRAGMENT, LIGHT
CHAIN
BCLA PROTEIN

(Bacillus
anthracis;
Mus musculus) 		PF07686
(V-set)
no annotation 		4 SER C  28
GLY A 157
THR A 125
GLU A 190
 None
 0.89A 5btfA-3ab0C:
undetectable
5btfC-3ab0C:
undetectable
5btfD-3ab0C:
undetectable		 5btfA-3ab0C:
13.29
5btfC-3ab0C:
13.29
5btfD-3ab0C:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b0h NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ARG A 329
ARG A 323
GLY A 321
GLU A 320
 None
 1.03A 5btfA-3b0hA:
0.8
5btfC-3b0hA:
0.8
5btfD-3b0hA:
undetectable		 5btfA-3b0hA:
23.73
5btfC-3b0hA:
23.73
5btfD-3b0hA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 SER A 910
ARG A 675
THR A 568
GLU A 605
 None
 1.00A 5btfA-3bg9A:
undetectable
5btfC-3bg9A:
undetectable
5btfD-3bg9A:
undetectable		 5btfA-3bg9A:
22.34
5btfC-3bg9A:
22.34
5btfD-3bg9A:
17.58
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.
3buj CALO2

(Micromonospora
echinospora) 		PF00067
(p450) 		4 ARG A 275
ASP A 277
ARG A 384
GLY A 309
 None
 0.99A 5btfA-3bujA:
undetectable
5btfC-3bujA:
0.8
5btfD-3bujA:
undetectable		 5btfA-3bujA:
23.87
5btfC-3bujA:
23.87
5btfD-3bujA:
20.80
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.
3cky 2-HYDROXYMETHYL
GLUTARATE
DEHYDROGENASE

(Eubacterium
barkeri) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ASP A 239
ARG A 273
GLY A 272
GLU A 270
 None
 1.14A 5btfA-3ckyA:
undetectable
5btfC-3ckyA:
undetectable
5btfD-3ckyA:
2.5		 5btfA-3ckyA:
22.00
5btfC-3ckyA:
22.00
5btfD-3ckyA:
21.90
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.
3d8x THIOREDOXIN
REDUCTASE 1

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		4 ARG A  72
GLY A  43
THR A  84
GLU A  33
 None
 0.83A 5btfA-3d8xA:
undetectable
5btfC-3d8xA:
undetectable
5btfD-3d8xA:
undetectable		 5btfA-3d8xA:
22.70
5btfC-3d8xA:
22.70
5btfD-3d8xA:
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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		4 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.75A 5btfA-3epmA:
undetectable
5btfC-3epmA:
undetectable
5btfD-3epmA:
2.2		 5btfA-3epmA:
22.77
5btfC-3epmA:
22.77
5btfD-3epmA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbu ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13302
(Acetyltransf_3) 		4 SER A 131
ARG A 141
GLY A 139
GLU A 168
 COA  A 169 (-3.2A)
None
None
None
 0.91A 5btfA-3fbuA:
undetectable
5btfC-3fbuA:
undetectable
5btfD-3fbuA:
undetectable		 5btfA-3fbuA:
15.22
5btfC-3fbuA:
15.22
5btfD-3fbuA:
21.86
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A 409
SER A 276
THR A 152
GLU A 135
 GOL  A 700 ( 3.9A)
None
None
None
 0.99A 5btfA-3fcjA:
undetectable
5btfC-3fcjA:
undetectable
5btfD-3fcjA:
undetectable		 5btfA-3fcjA:
20.85
5btfC-3fcjA:
20.85
5btfD-3fcjA:
21.05
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.
3g2e OORC SUBUNIT OF
2-OXOGLUTARATE:ACCEP
TOR OXIDOREDUCTASE

(Campylobacter
jejuni) 		PF01558
(POR) 		4 ASP A  56
ARG A  31
GLY A  30
GLU A  29
 None
 0.84A 5btfA-3g2eA:
undetectable
5btfC-3g2eA:
undetectable
5btfD-3g2eA:
undetectable		 5btfA-3g2eA:
17.82
5btfC-3g2eA:
17.82
5btfD-3g2eA:
21.79
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.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		4 SER A 224
ASP A 167
ARG A 173
GLY A 183
 None
 1.01A 5btfA-3h0lA:
0.4
5btfC-3h0lA:
0.6
5btfD-3h0lA:
undetectable		 5btfA-3h0lA:
21.88
5btfC-3h0lA:
21.88
5btfD-3h0lA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ih5 ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA-SUBUNIT

(Bacteroides
thetaiotaomicron) 		PF01012
(ETF) 		4 SER A 108
ASP A 118
ARG A 168
GLY A  95
 None
None
FMT  A 218 (-3.4A)
None
 1.04A 5btfA-3ih5A:
undetectable
5btfC-3ih5A:
undetectable
5btfD-3ih5A:
2.0		 5btfA-3ih5A:
17.78
5btfC-3ih5A:
17.78
5btfD-3ih5A:
21.62
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.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 ARG A 625
ASP A 649
ARG A 429
GLY A 428
 ADP  A 803 (-3.8A)
ADP  A 803 (-3.2A)
None
ADP  A 803 (-3.4A)
 1.11A 5btfA-3k30A:
undetectable
5btfC-3k30A:
undetectable
5btfD-3k30A:
undetectable		 5btfA-3k30A:
23.31
5btfC-3k30A:
23.31
5btfD-3k30A:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nv7 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Helicobacter
pylori) 		PF01467
(CTP_transf_like) 		4 ASP A  20
ARG A  24
THR A 115
GLU A 114
 None
 0.95A 5btfA-3nv7A:
undetectable
5btfC-3nv7A:
undetectable
5btfD-3nv7A:
2.3		 5btfA-3nv7A:
15.18
5btfC-3nv7A:
15.18
5btfD-3nv7A:
22.76
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.
3q5t TCR N30 BETA

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER A 223
ASP A 217
GLY A 212
THR A 112
 None
 1.00A 5btfA-3q5tA:
undetectable
5btfC-3q5tA:
undetectable
5btfD-3q5tA:
undetectable		 5btfA-3q5tA:
18.97
5btfC-3q5tA:
18.97
5btfD-3q5tA:
20.92
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.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 ARG A 450
ASP A 476
ARG A 472
GLY A 469
 None
 0.80A 5btfA-3qxmA:
undetectable
5btfC-3qxmA:
undetectable
5btfD-3qxmA:
undetectable		 5btfA-3qxmA:
22.01
5btfC-3qxmA:
22.01
5btfD-3qxmA:
25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ra2 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 SER A 426
ASP A 238
ARG A 239
GLU A 686
 None
 1.09A 5btfA-3ra2A:
undetectable
5btfC-3ra2A:
undetectable
5btfD-3ra2A:
undetectable		 5btfA-3ra2A:
20.95
5btfC-3ra2A:
20.95
5btfD-3ra2A:
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.
3s6h N-ACETYLGLUTAMATE
KINASE /
N-ACETYLGLUTAMATE
SYNTHASE

(Maricaulis
maris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		4 SER A 267
ASP A 232
GLY A 291
THR A 336
 None
 1.06A 5btfA-3s6hA:
undetectable
5btfC-3s6hA:
undetectable
5btfD-3s6hA:
2.5		 5btfA-3s6hA:
25.79
5btfC-3s6hA:
25.79
5btfD-3s6hA:
20.74
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.
3sgz HYDROXYACID OXIDASE
2

(Rattus
norvegicus) 		PF01070
(FMN_dh) 		4 ARG A 282
ASP A 278
GLY A 249
THR A 158
 FMN  A 401 (-2.9A)
FMN  A 401 (-2.8A)
None
HO6  A 402 ( 4.6A)
 1.04A 5btfA-3sgzA:
undetectable
5btfC-3sgzA:
undetectable
5btfD-3sgzA:
undetectable		 5btfA-3sgzA:
22.31
5btfC-3sgzA:
22.31
5btfD-3sgzA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ASP A 257
ARG A 319
GLY A 317
GLU A 337
 None
 1.08A 5btfA-3t6sA:
undetectable
5btfC-3t6sA:
undetectable
5btfD-3t6sA:
undetectable		 5btfA-3t6sA:
21.79
5btfC-3t6sA:
21.79
5btfD-3t6sA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tg1 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10

(Homo sapiens) 		PF00581
(Rhodanese) 		4 ASP B 176
ARG B 178
GLY B 272
GLU B 238
 None
 0.92A 5btfA-3tg1B:
undetectable
5btfC-3tg1B:
undetectable
5btfD-3tg1B:
2.8		 5btfA-3tg1B:
12.96
5btfC-3tg1B:
12.96
5btfD-3tg1B:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tht ALKYLATED DNA REPAIR
PROTEIN ALKB HOMOLOG
8

(Homo sapiens) 		PF00076
(RRM_1)
PF13532
(2OG-FeII_Oxy_2) 		4 SER A 330
ASP A 300
ARG A 297
GLY A 232
 AKG  A 403 (-3.4A)
None
None
None
 0.83A 5btfA-3thtA:
2.7
5btfC-3thtA:
2.6
5btfD-3thtA:
undetectable		 5btfA-3thtA:
20.70
5btfC-3thtA:
20.70
5btfD-3thtA:
22.96
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 4 ASP A 105
ARG A 107
GLY A 181
GLU A 180
 ACY  A 339 (-3.7A)
ACY  A 339 (-4.1A)
None
ACY  A 339 (-4.4A)
 0.79A 5btfA-3u4gA:
undetectable
5btfC-3u4gA:
undetectable
5btfD-3u4gA:
undetectable		 5btfA-3u4gA:
23.29
5btfC-3u4gA:
23.29
5btfD-3u4gA:
22.97
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.
3uzv ENVELOPE PROTEIN

(Dengue virus) 		PF02832
(Flavi_glycop_C) 		4 ARG A 350
GLY A 349
THR A 319
GLU A 370
 None
 1.03A 5btfA-3uzvA:
undetectable
5btfC-3uzvA:
undetectable
5btfD-3uzvA:
undetectable		 5btfA-3uzvA:
12.63
5btfC-3uzvA:
12.63
5btfD-3uzvA:
16.14
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.
3vgp TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE,
PUTATIVE

(Archaeoglobus
fulgidus) 		no annotation 4 ASP A 491
ARG A 511
GLY A 512
GLU A 459
 None
 1.03A 5btfA-3vgpA:
undetectable
5btfC-3vgpA:
undetectable
5btfD-3vgpA:
undetectable		 5btfA-3vgpA:
14.74
5btfC-3vgpA:
14.74
5btfD-3vgpA:
18.29
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.
3vly NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ARG A 329
ARG A 323
GLY A 321
GLU A 320
 None
 1.05A 5btfA-3vlyA:
1.4
5btfC-3vlyA:
1.3
5btfD-3vlyA:
undetectable		 5btfA-3vlyA:
22.12
5btfC-3vlyA:
22.12
5btfD-3vlyA:
18.27
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.
3x17 ENDOGLUCANASE

(uncultured
bacterium) 		no annotation 4 SER B 125
ASP B  77
ARG B  75
GLY B 113
 None
 1.03A 5btfA-3x17B:
undetectable
5btfC-3x17B:
undetectable
5btfD-3x17B:
undetectable		 5btfA-3x17B:
22.22
5btfC-3x17B:
22.22
5btfD-3x17B:
19.96
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.
4a2b CELL DIVISION
PROTEIN FTSA,
PUTATIVE

(Thermotoga
maritima) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 SER A 309
ARG A 357
GLY A 331
THR A 200
GLU A 203
 None
 1.44A 5btfA-4a2bA:
undetectable
5btfC-4a2bA:
undetectable
5btfD-4a2bA:
undetectable		 5btfA-4a2bA:
22.45
5btfC-4a2bA:
22.45
5btfD-4a2bA:
21.13
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.
4clc UPF0303 PROTEIN
YBR137W

(Saccharomyces
cerevisiae) 		PF03928
(Haem_degrading) 		4 ARG E  90
SER E 122
GLY E 129
GLU E 154
 None
 1.13A 5btfA-4clcE:
1.8
5btfC-4clcE:
undetectable
5btfD-4clcE:
undetectable		 5btfA-4clcE:
16.20
5btfC-4clcE:
16.20
5btfD-4clcE:
24.81
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.
4hmw PYRIDOXAMINE
5'-PHOSPHATE OXIDASE

(Burkholderia
lata) 		PF01243
(Putative_PNPOx)
PF10590
(PNP_phzG_C) 		4 ARG A  84
GLY A  86
THR A  55
GLU A  88
 None
 0.85A 5btfA-4hmwA:
undetectable
5btfC-4hmwA:
undetectable
5btfD-4hmwA:
undetectable		 5btfA-4hmwA:
18.45
5btfC-4hmwA:
18.45
5btfD-4hmwA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		4 ASP A 764
ARG A 767
GLY A 768
GLU A 756
 None
 1.04A 5btfA-4kf7A:
undetectable
5btfC-4kf7A:
undetectable
5btfD-4kf7A:
undetectable		 5btfA-4kf7A:
18.89
5btfC-4kf7A:
18.89
5btfD-4kf7A:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		4 SER A 233
ASP A 163
ARG A 223
GLU A 219
 SER  A 233 ( 0.0A)
ASP  A 163 ( 0.6A)
ARG  A 223 ( 0.6A)
GLU  A 219 ( 0.6A)
 1.11A 5btfA-4kqnA:
undetectable
5btfC-4kqnA:
undetectable
5btfD-4kqnA:
undetectable		 5btfA-4kqnA:
22.00
5btfC-4kqnA:
22.00
5btfD-4kqnA:
20.76
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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 SER A 154
ARG A 185
GLY A 183
GLU A 181
 None
 1.11A 5btfA-4p5hA:
undetectable
5btfC-4p5hA:
undetectable
5btfD-4p5hA:
undetectable		 5btfA-4p5hA:
18.58
5btfC-4p5hA:
18.58
5btfD-4p5hA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER B1084
ARG B 458
GLY B 459
GLU B 477
 None
 0.95A 5btfA-4plbB:
52.9
5btfC-4plbB:
53.0
5btfD-4plbB:
26.6		 5btfA-4plbB:
41.64
5btfC-4plbB:
41.64
5btfD-4plbB:
22.93
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.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		4 ARG A 363
ASP A 329
ARG A 333
GLY A 334
 None
 0.96A 5btfA-4px9A:
undetectable
5btfC-4px9A:
undetectable
5btfD-4px9A:
2.2		 5btfA-4px9A:
21.44
5btfC-4px9A:
21.44
5btfD-4px9A:
23.38
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 209
ARG A  43
GLY A 167
GLU A 151
 None
 1.00A 5btfA-4rvwA:
undetectable
5btfC-4rvwA:
undetectable
5btfD-4rvwA:
undetectable		 5btfA-4rvwA:
21.69
5btfC-4rvwA:
21.69
5btfD-4rvwA:
16.64
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.
4ry9 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Verminephrobacter
eiseniae) 		PF13407
(Peripla_BP_4) 		4 ASP A 291
ARG A  60
GLY A  61
GLU A  63
 None
 1.12A 5btfA-4ry9A:
undetectable
5btfC-4ry9A:
undetectable
5btfD-4ry9A:
2.6		 5btfA-4ry9A:
21.59
5btfC-4ry9A:
21.59
5btfD-4ry9A:
23.64
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A  11
ARG A 188
GLY A 187
GLU A 186
 None
None
GOL  A 404 ( 3.7A)
None
 0.96A 5btfA-4ubtA:
undetectable
5btfC-4ubtA:
undetectable
5btfD-4ubtA:
undetectable		 5btfA-4ubtA:
23.46
5btfC-4ubtA:
23.46
5btfD-4ubtA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		4 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.83A 5btfA-4up3A:
undetectable
5btfC-4up3A:
undetectable
5btfD-4up3A:
undetectable		 5btfA-4up3A:
21.63
5btfC-4up3A:
21.63
5btfD-4up3A:
20.37
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.
4wny UNIVERSAL STRESS
PROTEIN

(Burkholderia
pseudomallei) 		PF00582
(Usp) 		4 SER A  16
ASP A  69
GLY A  64
GLU A  62
 None
 1.11A 5btfA-4wnyA:
undetectable
5btfC-4wnyA:
undetectable
5btfD-4wnyA:
2.2		 5btfA-4wnyA:
16.99
5btfC-4wnyA:
16.99
5btfD-4wnyA:
20.97
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.
4yok PUTATIVE FLAGELLAR
PROTEIN FLIS

(Parabacteroides
merdae) 		PF12866
(DUF3823) 		4 SER A 161
ASP A 176
ARG A 155
GLY A 208
 None
 0.96A 5btfA-4yokA:
undetectable
5btfC-4yokA:
undetectable
5btfD-4yokA:
undetectable		 5btfA-4yokA:
18.63
5btfC-4yokA:
18.63
5btfD-4yokA:
23.55
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.
4zel DOPAMINE
BETA-HYDROXYLASE

(Homo sapiens) 		PF01082
(Cu2_monooxygen)
PF03351
(DOMON)
PF03712
(Cu2_monoox_C) 		4 ARG A 194
GLY A 417
THR A 477
GLU A 486
 None
 1.12A 5btfA-4zelA:
undetectable
5btfC-4zelA:
undetectable
5btfD-4zelA:
undetectable		 5btfA-4zelA:
22.04
5btfC-4zelA:
22.04
5btfD-4zelA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 SER A  10
ARG A  18
GLY A  17
GLU A  38
 None
 1.07A 5btfA-5e6sA:
undetectable
5btfC-5e6sA:
undetectable
5btfD-5e6sA:
undetectable		 5btfA-5e6sA:
22.07
5btfC-5e6sA:
22.07
5btfD-5e6sA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 4 SER A 135
ASP A  89
ARG A 757
GLY A  73
 None
 1.09A 5btfA-5fkrA:
undetectable
5btfC-5fkrA:
undetectable
5btfD-5fkrA:
undetectable		 5btfA-5fkrA:
21.17
5btfC-5fkrA:
21.17
5btfD-5fkrA:
17.00
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 4 SER A 292
GLY A 222
THR A 122
GLU A 179
 None
 1.12A 5btfA-5fkrA:
undetectable
5btfC-5fkrA:
undetectable
5btfD-5fkrA:
undetectable		 5btfA-5fkrA:
21.17
5btfC-5fkrA:
21.17
5btfD-5fkrA:
17.00
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ARG B 975
ASP B  59
GLY B  81
THR B 113
 None
 1.07A 5btfA-5fq6B:
undetectable
5btfC-5fq6B:
undetectable
5btfD-5fq6B:
undetectable		 5btfA-5fq6B:
18.52
5btfC-5fq6B:
18.52
5btfD-5fq6B:
12.53
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.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 344
ARG A 166
GLY A 163
GLU A 162
 None
 1.13A 5btfA-5idnA:
undetectable
5btfC-5idnA:
2.4
5btfD-5idnA:
undetectable		 5btfA-5idnA:
23.12
5btfC-5idnA:
23.12
5btfD-5idnA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iuy MULTIDRUG EFFLUX
OUTER MEMBRANE
PROTEIN OPRN

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		4 ASP A 155
ARG A 430
GLY A 431
GLU A 427
 None
 1.06A 5btfA-5iuyA:
1.5
5btfC-5iuyA:
undetectable
5btfD-5iuyA:
undetectable		 5btfA-5iuyA:
23.41
5btfC-5iuyA:
23.41
5btfD-5iuyA:
20.91
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.
5ivx T-CELL RECEPTOR BETA
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER F 219
ASP F 213
GLY F 208
THR F 108
 None
 0.90A 5btfA-5ivxF:
undetectable
5btfC-5ivxF:
undetectable
5btfD-5ivxF:
undetectable		 5btfA-5ivxF:
16.90
5btfC-5ivxF:
16.90
5btfD-5ivxF:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		4 SER A 106
ASP A  60
ARG A 724
GLY A  44
 None
 1.06A 5btfA-5jwzA:
undetectable
5btfC-5jwzA:
undetectable
5btfD-5jwzA:
undetectable		 5btfA-5jwzA:
22.45
5btfC-5jwzA:
22.45
5btfD-5jwzA:
16.00
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.
5l16 PUTATIVE
SELENOPHOSPHATE
SYNTHETASE

(Leishmania
major) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 SER A  34
ARG A  93
GLY A  89
GLU A  92
 None
 0.69A 5btfA-5l16A:
0.6
5btfC-5l16A:
1.4
5btfD-5l16A:
undetectable		 5btfA-5l16A:
21.91
5btfC-5l16A:
21.91
5btfD-5l16A:
22.05
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 4 SER A 162
ARG A  31
GLY A  27
GLU A  28
 None
 0.76A 5btfA-5mu5A:
undetectable
5btfC-5mu5A:
undetectable
5btfD-5mu5A:
2.6		 5btfA-5mu5A:
22.13
5btfC-5mu5A:
22.13
5btfD-5mu5A:
17.39
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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		4 SER A 103
ARG A  60
GLY A  61
GLU A 329
 None
 1.08A 5btfA-5nagA:
undetectable
5btfC-5nagA:
undetectable
5btfD-5nagA:
undetectable		 5btfA-5nagA:
23.42
5btfC-5nagA:
23.42
5btfD-5nagA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 4 ARG A 160
ASP A  42
THR A 325
GLU A 373
 None
 1.01A 5btfA-5o6vA:
undetectable
5btfC-5o6vA:
undetectable
5btfD-5o6vA:
undetectable		 5btfA-5o6vA:
10.41
5btfC-5o6vA:
10.41
5btfD-5o6vA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oom 39S RIBOSOMAL
PROTEIN L28,
MITOCHONDRIAL

(Homo sapiens) 		PF00830
(Ribosomal_L28) 		4 SER X 116
ASP X 173
ARG X 171
GLU X 198
 None
 1.06A 5btfA-5oomX:
undetectable
5btfC-5oomX:
undetectable
5btfD-5oomX:
undetectable		 5btfA-5oomX:
19.68
5btfC-5oomX:
19.68
5btfD-5oomX:
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.
5ud0 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Helicobacter
pylori) 		no annotation 4 SER A 167
ASP A 104
GLY A 136
THR A 178
 None
ZN  A 402 ( 4.4A)
None
None
 1.03A 5btfA-5ud0A:
undetectable
5btfC-5ud0A:
undetectable
5btfD-5ud0A:
undetectable		 5btfA-5ud0A:
undetectable
5btfC-5ud0A:
undetectable
5btfD-5ud0A:
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 ARG B 315
ARG B 189
GLY B 287
GLU B 288
 None
 1.01A 5btfA-5uz9B:
1.6
5btfC-5uz9B:
1.8
5btfD-5uz9B:
undetectable		 5btfA-5uz9B:
21.59
5btfC-5uz9B:
21.59
5btfD-5uz9B:
23.82
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.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 ASP A 392
ARG A 395
GLY A 455
THR A 462
 None
 0.90A 5btfA-5v7iA:
undetectable
5btfC-5v7iA:
undetectable
5btfD-5v7iA:
undetectable		 5btfA-5v7iA:
22.62
5btfC-5v7iA:
22.62
5btfD-5v7iA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vhv ALKYLPURINE DNA
GLYCOSYLASE ALKC

(Pseudomonas
fluorescens) 		no annotation 4 ASP A 203
ARG A 159
GLY A 157
GLU A 156
 None
 1.03A 5btfA-5vhvA:
undetectable
5btfC-5vhvA:
undetectable
5btfD-5vhvA:
undetectable		 5btfA-5vhvA:
22.24
5btfC-5vhvA:
22.24
5btfD-5vhvA:
23.22
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.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 4 ARG A  99
GLY A  70
THR A 111
GLU A  60
 None
FAD  A 401 ( 4.5A)
None
None
 0.87A 5btfA-5w4cA:
undetectable
5btfC-5w4cA:
undetectable
5btfD-5w4cA:
undetectable		 5btfA-5w4cA:
10.38
5btfC-5w4cA:
10.38
5btfD-5w4cA:
15.26
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.
5y3t E3 UBIQUITIN-PROTEIN
LIGASE RNF31
SHARPIN

(Mus musculus) 		no annotation 4 SER C 279
ARG C 271
GLY C 270
GLU B 481
 None
 1.14A 5btfA-5y3tC:
undetectable
5btfC-5y3tC:
undetectable
5btfD-5y3tC:
undetectable		 5btfA-5y3tC:
9.34
5btfC-5y3tC:
9.34
5btfD-5y3tC:
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.
5y81 ACTIN-RELATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		no annotation 4 ARG F 236
SER F  42
GLY F 413
THR F 442
 None
 0.97A 5btfA-5y81F:
undetectable
5btfC-5y81F:
undetectable
5btfD-5y81F:
2.2		 5btfA-5y81F:
9.46
5btfC-5y81F:
9.46
5btfD-5y81F:
14.34
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 SER A  38
ARG A 111
GLY A  92
GLU A  93
 EWM  A 301 (-2.7A)
None
None
None
 1.11A 5btfA-6cc0A:
undetectable
5btfC-6cc0A:
undetectable
5btfD-6cc0A:
undetectable		 5btfA-6cc0A:
8.37
5btfC-6cc0A:
8.37
5btfD-6cc0A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fjy PROTEIN CSUE

(Acinetobacter
baumannii) 		no annotation 4 SER D 204
ASP D 246
ARG D 255
GLU D 261
 None
 0.85A 5btfA-6fjyD:
undetectable
5btfC-6fjyD:
undetectable
5btfD-6fjyD:
undetectable		 5btfA-6fjyD:
11.11
5btfC-6fjyD:
11.11
5btfD-6fjyD:
13.81