SIMILAR PATTERNS OF AMINO ACIDS FOR 5BXN_B_BO2B201

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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		5 THR A 280
THR A 306
GLY A 338
ALA A 342
THR A 380
 None
 1.18A 5bxnV-1cemA:
undetectable
5bxnb-1cemA:
undetectable		 5bxnV-1cemA:
18.97
5bxnb-1cemA:
22.74
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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 THR A 136
THR A 137
GLY A 283
ALA A 281
THR A 287
 None
 1.15A 5bxnV-1csjA:
undetectable
5bxnb-1csjA:
2.0		 5bxnV-1csjA:
18.79
5bxnb-1csjA:
16.26
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.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		5 THR A 959
THR A 961
GLY A 974
ALA A 955
THR A 954
 None
 1.21A 5bxnV-1efyA:
undetectable
5bxnb-1efyA:
undetectable		 5bxnV-1efyA:
20.66
5bxnb-1efyA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hpg GLUTAMIC ACID
SPECIFIC PROTEASE

(Streptomyces
griseus) 		no annotation 5 HIS A 213
SER A 195
GLY A 104
ALA A  55
THR A  59
 None
 1.44A 5bxnV-1hpgA:
undetectable
5bxnb-1hpgA:
undetectable		 5bxnV-1hpgA:
21.95
5bxnb-1hpgA:
24.40
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.
1kny KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		PF07827
(KNTase_C) 		5 SER A  49
THR A 186
THR A 187
ARG A   9
GLY A  41
 APC  A 556 (-2.9A)
None
APC  A 556 (-3.4A)
None
None
 1.37A 5bxnV-1knyA:
undetectable
5bxnb-1knyA:
undetectable		 5bxnV-1knyA:
25.63
5bxnb-1knyA:
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.
1mld MALATE DEHYDROGENASE

(Sus scrofa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 HIS A 176
THR A 211
GLY A 221
ALA A 223
THR A 224
 CIT  A 375 (-3.8A)
None
None
CIT  A 375 (-3.6A)
None
 1.46A 5bxnV-1mldA:
undetectable
5bxnb-1mldA:
undetectable		 5bxnV-1mldA:
22.22
5bxnb-1mldA:
21.20
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.
1nex CDC4 PROTEIN

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12937
(F-box-like) 		5 SER B 653
THR B 592
THR B 593
GLY B 636
ALA B 649
 None
 0.99A 5bxnV-1nexB:
undetectable
5bxnb-1nexB:
undetectable		 5bxnV-1nexB:
18.30
5bxnb-1nexB:
18.53
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
LYS H  33
GLY H  47
ALA H  49
 None
 0.47A 5bxnV-1q5qH:
26.0
5bxnb-1q5qH:
27.1		 5bxnV-1q5qH:
26.21
5bxnb-1q5qH:
30.21
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.
1vc2 GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 145
THR A 150
THR A 151
ALA A 118
THR A  98
 None
None
None
NAD  A 336 (-3.5A)
None
 1.45A 5bxnV-1vc2A:
undetectable
5bxnb-1vc2A:
undetectable		 5bxnV-1vc2A:
21.99
5bxnb-1vc2A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yco BRANCHED-CHAIN
PHOSPHOTRANSACYLASE

(Enterococcus
faecalis) 		PF01515
(PTA_PTB) 		5 THR A 253
THR A  80
THR A  82
GLY A  76
ALA A   7
 None
 1.48A 5bxnV-1ycoA:
undetectable
5bxnb-1ycoA:
undetectable		 5bxnV-1ycoA:
21.84
5bxnb-1ycoA:
21.43
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.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		5 HIS A 139
THR A 269
GLY A 248
ALA A 245
THR A 273
 None
None
None
PLP  A 434 (-3.6A)
None
 1.34A 5bxnV-1z3zA:
undetectable
5bxnb-1z3zA:
undetectable		 5bxnV-1z3zA:
21.11
5bxnb-1z3zA:
18.06
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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 SER A 100
THR A 106
THR A  39
ALA A 112
THR A 258
 None
 1.32A 5bxnV-2anpA:
undetectable
5bxnb-2anpA:
undetectable		 5bxnV-2anpA:
22.03
5bxnb-2anpA:
22.60
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 SER A 235
THR A 282
THR A 180
ARG A 292
THR A 238
 None
None
None
None
LFR  A1481 (-3.4A)
 1.50A 5bxnV-2cgjA:
undetectable
5bxnb-2cgjA:
undetectable		 5bxnV-2cgjA:
17.68
5bxnb-2cgjA:
17.40
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
THR H 321
LYS H 333
GLY H 347
ALA H 349
 None
 0.57A 5bxnV-2fhgH:
25.2
5bxnb-2fhgH:
25.8		 5bxnV-2fhgH:
26.77
5bxnb-2fhgH:
25.00
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.
2fon PEROXISOMAL ACYL-COA
OXIDASE 1A

(Solanum
lycopersicum) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 HIS A  30
SER A  28
THR A  35
ARG A 345
ALA A  26
 None
 1.48A 5bxnV-2fonA:
undetectable
5bxnb-2fonA:
undetectable		 5bxnV-2fonA:
16.13
5bxnb-2fonA:
14.20
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
 None
 1.36A 5bxnV-2g28A:
undetectable
5bxnb-2g28A:
undetectable		 5bxnV-2g28A:
13.84
5bxnb-2g28A:
12.47
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.
2hxg L-ARABINOSE
ISOMERASE

(Escherichia
coli) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 HIS A 450
THR A 276
THR A 277
GLY A 302
ALA A 312
 MN  A 501 (-3.6A)
None
None
None
None
 1.34A 5bxnV-2hxgA:
undetectable
5bxnb-2hxgA:
undetectable		 5bxnV-2hxgA:
19.59
5bxnb-2hxgA:
18.83
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.
2iph THIOL PROTEASE P3C

(Norwalk virus) 		PF05416
(Peptidase_C37) 		5 THR A1028
THR A1027
THR A1056
GLY A1155
ALA A1170
 None
 1.20A 5bxnV-2iphA:
undetectable
5bxnb-2iphA:
undetectable		 5bxnV-2iphA:
22.50
5bxnb-2iphA:
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.
2jfq GLUTAMATE RACEMASE

(Staphylococcus
aureus) 		PF01177
(Asp_Glu_race) 		5 SER A 207
THR A  74
THR A  76
GLY A  14
THR A  16
 None
DGL  A1267 (-3.7A)
None
None
None
 1.46A 5bxnV-2jfqA:
undetectable
5bxnb-2jfqA:
undetectable		 5bxnV-2jfqA:
19.74
5bxnb-2jfqA:
23.21
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.
2lhs CBP21

(Serratia
marcescens) 		PF03067
(LPMO_10) 		6 HIS A  47
SER A  50
THR A  97
THR A 108
ARG A  10
ALA A  49
 None
 1.43A 5bxnV-2lhsA:
undetectable
5bxnb-2lhsA:
undetectable		 5bxnV-2lhsA:
20.82
5bxnb-2lhsA:
20.57
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.
2uwf ALKALINE ACTIVE
ENDOXYLANASE

(Bacillus
halodurans) 		PF00331
(Glyco_hydro_10) 		5 SER A 312
THR A 205
THR A 255
GLY A 232
THR A 264
 None
 1.42A 5bxnV-2uwfA:
undetectable
5bxnb-2uwfA:
undetectable		 5bxnV-2uwfA:
19.24
5bxnb-2uwfA:
18.26
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.
2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF02542
(YgbB) 		5 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 5bxnV-2uzhA:
undetectable
5bxnb-2uzhA:
undetectable		 5bxnV-2uzhA:
22.65
5bxnb-2uzhA:
22.39
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.
2xym RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 THR A 136
THR A 137
GLY A 283
ALA A 281
THR A 287
 None
 1.27A 5bxnV-2xymA:
undetectable
5bxnb-2xymA:
undetectable		 5bxnV-2xymA:
17.74
5bxnb-2xymA:
14.88
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.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A 225
THR A 227
THR A 191
GLY A 221
ALA A 299
 None
 1.42A 5bxnV-2yfqA:
undetectable
5bxnb-2yfqA:
undetectable		 5bxnV-2yfqA:
19.90
5bxnb-2yfqA:
18.39
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		5 HIS A 233
THR A 305
THR A 258
ARG A  59
ALA A 308
 ZN  A1006 (-3.4A)
None
None
None
None
 1.48A 5bxnV-2z00A:
undetectable
5bxnb-2z00A:
undetectable		 5bxnV-2z00A:
19.31
5bxnb-2z00A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		5 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.32A 5bxnV-3ayxA:
undetectable
5bxnb-3ayxA:
undetectable		 5bxnV-3ayxA:
16.78
5bxnb-3ayxA:
16.70
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.
3eeg 2-ISOPROPYLMALATE
SYNTHASE

(Cytophaga
hutchinsonii) 		PF00682
(HMGL-like) 		5 HIS A 106
SER A 102
THR A 172
THR A 171
ALA A 146
 None
 1.48A 5bxnV-3eegA:
undetectable
5bxnb-3eegA:
undetectable		 5bxnV-3eegA:
25.45
5bxnb-3eegA:
22.15
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.
3eyt UNCHARACTERIZED
PROTEIN SPOA0173

(Ruegeria
pomeroyi) 		PF00578
(AhpC-TSA) 		5 HIS A 130
SER A 117
THR A 106
GLY A  64
ALA A  32
 None
 1.48A 5bxnV-3eytA:
undetectable
5bxnb-3eytA:
undetectable		 5bxnV-3eytA:
22.17
5bxnb-3eytA:
20.49
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.
3f3k UNCHARACTERIZED
PROTEIN YKR043C

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		5 SER A  19
THR A  43
THR A  73
GLY A 236
ALA A 234
 None
 1.35A 5bxnV-3f3kA:
undetectable
5bxnb-3f3kA:
undetectable		 5bxnV-3f3kA:
22.26
5bxnb-3f3kA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME

(Saccharomyces
cerevisiae) 		PF01946
(Thi4) 		5 HIS A 315
SER A 277
GLY A  77
ALA A 289
THR A 234
 None
 1.41A 5bxnV-3fpzA:
undetectable
5bxnb-3fpzA:
undetectable		 5bxnV-3fpzA:
20.00
5bxnb-3fpzA:
21.56
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.
3g10 CCR4-NOT COMPLEX
SUBUNIT CAF1

(Schizosaccharomyces
pombe) 		PF04857
(CAF1) 		5 SER A  92
THR A 165
GLY A  88
ALA A  90
THR A 104
 None
 1.30A 5bxnV-3g10A:
undetectable
5bxnb-3g10A:
undetectable		 5bxnV-3g10A:
20.41
5bxnb-3g10A:
19.49
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 SER A 214
THR A 231
THR A 233
THR A 234
THR A 235
 None
None
FMN  A 301 (-4.4A)
FMN  A 301 (-4.5A)
FMN  A 301 (-3.6A)
 1.14A 5bxnV-3gh8A:
undetectable
5bxnb-3gh8A:
undetectable		 5bxnV-3gh8A:
20.42
5bxnb-3gh8A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gsz RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 THR A 136
THR A 137
GLY A 283
ALA A 281
THR A 287
 None
 1.22A 5bxnV-3gszA:
undetectable
5bxnb-3gszA:
undetectable		 5bxnV-3gszA:
17.20
5bxnb-3gszA:
15.69
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.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Staphylococcus
aureus) 		no annotation 5 SER Q 147
THR Q 152
THR Q 153
ALA Q 121
THR Q 101
 None
None
None
NAD  Q 337 (-3.2A)
None
 1.47A 5bxnV-3ksdQ:
undetectable
5bxnb-3ksdQ:
undetectable		 5bxnV-3ksdQ:
23.85
5bxnb-3ksdQ:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Staphylococcus
aureus) 		no annotation 5 THR Q 129
THR Q 153
THR Q 152
GLY Q 148
ALA Q 121
 None
None
None
None
NAD  Q 337 (-3.2A)
 1.32A 5bxnV-3ksdQ:
undetectable
5bxnb-3ksdQ:
undetectable		 5bxnV-3ksdQ:
23.85
5bxnb-3ksdQ:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 197
THR A 172
THR A 174
GLY A 244
ALA A 355
 None
 1.44A 5bxnV-3kzuA:
undetectable
5bxnb-3kzuA:
undetectable		 5bxnV-3kzuA:
21.18
5bxnb-3kzuA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.46A 5bxnV-3la4A:
undetectable
5bxnb-3la4A:
undetectable		 5bxnV-3la4A:
15.16
5bxnb-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ln7 GLUTATHIONE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
GSHAB

(Pasteurella
multocida) 		PF02655
(ATP-grasp_3)
PF04262
(Glu_cys_ligase) 		5 SER A 483
THR A 476
GLY A 585
ALA A 696
THR A 691
 None
 0.99A 5bxnV-3ln7A:
undetectable
5bxnb-3ln7A:
undetectable		 5bxnV-3ln7A:
16.19
5bxnb-3ln7A:
14.27
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.
3lqa ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 THR G 253
THR G 367
THR G 381
THR G 382
GLY G 473
 None
None
None
NAG  G2000 (-3.1A)
None
 1.35A 5bxnV-3lqaG:
undetectable
5bxnb-3lqaG:
undetectable		 5bxnV-3lqaG:
20.49
5bxnb-3lqaG:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 9 THR N   1
THR N  20
THR N  21
THR N  22
LYS N  33
ARG N  45
GLY N  47
ALA N  49
THR N  52
 None
 0.48A 5bxnV-3mg6N:
29.6
5bxnb-3mg6N:
38.6		 5bxnV-3mg6N:
29.49
5bxnb-3mg6N:
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N  21
ARG N  45
GLY N  47
ALA N  49
THR N  52
 None
 1.42A 5bxnV-3mg6N:
29.6
5bxnb-3mg6N:
38.6		 5bxnV-3mg6N:
29.49
5bxnb-3mg6N:
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.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		5 THR A 413
THR A 412
GLY A 435
ALA A 466
THR A 437
 None
 1.42A 5bxnV-3muuA:
undetectable
5bxnb-3muuA:
undetectable		 5bxnV-3muuA:
16.53
5bxnb-3muuA:
14.42
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.44A 5bxnV-3qgkC:
undetectable
5bxnb-3qgkC:
undetectable		 5bxnV-3qgkC:
18.55
5bxnb-3qgkC:
15.88
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		5 HIS L 603
THR L 553
THR L 554
GLY L  28
ALA L 599
 MG  L1005 (-3.4A)
NFU  L1004 (-3.8A)
None
None
None
 1.30A 5bxnV-3rgwL:
undetectable
5bxnb-3rgwL:
undetectable		 5bxnV-3rgwL:
16.21
5bxnb-3rgwL:
16.72
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.
3sir CASPASE

(Drosophila
melanogaster) 		PF00656
(Peptidase_C14) 		5 HIS A  28
SER A  95
GLY A 140
ALA A 137
THR A 178
 None
 1.36A 5bxnV-3sirA:
undetectable
5bxnb-3sirA:
undetectable		 5bxnV-3sirA:
20.91
5bxnb-3sirA:
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.
3tjr SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 SER A 230
THR A 145
THR A 238
ALA A 231
THR A 195
 None
UNL  A 281 ( 3.8A)
None
None
UNL  A 281 ( 2.6A)
 1.29A 5bxnV-3tjrA:
undetectable
5bxnb-3tjrA:
undetectable		 5bxnV-3tjrA:
20.83
5bxnb-3tjrA:
22.56
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 SER A 147
THR A 121
GLY A 115
ALA A 144
THR A 142
 None
None
GOL  A 487 ( 3.8A)
None
GOL  A 487 (-3.6A)
 1.33A 5bxnV-3uhjA:
undetectable
5bxnb-3uhjA:
undetectable		 5bxnV-3uhjA:
21.54
5bxnb-3uhjA:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 SER H  97
THR H  56
THR H  55
ALA H  46
THR H   1
 None
None
None
04C  H 301 ( 4.3A)
04C  H 301 (-2.5A)
 1.37A 5bxnV-3unfH:
35.4
5bxnb-3unfH:
31.0		 5bxnV-3unfH:
46.35
5bxnb-3unfH:
27.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
THR H  21
LYS H  33
GLY H  47
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.66A 5bxnV-3unfH:
35.4
5bxnb-3unfH:
31.0		 5bxnV-3unfH:
46.35
5bxnb-3unfH:
27.11
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.
3usc HYDROGENASE-1 LARGE
CHAIN

(Escherichia
coli) 		PF00374
(NiFeSe_Hases) 		5 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.28A 5bxnV-3uscL:
undetectable
5bxnb-3uscL:
undetectable		 5bxnV-3uscL:
16.76
5bxnb-3uscL:
15.66
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
THR L  21
LYS L  33
GLY L  47
ALA L  49
 None
 0.73A 5bxnV-3wxrL:
28.7
5bxnb-3wxrL:
28.7		 5bxnV-3wxrL:
28.87
5bxnb-3wxrL:
24.20
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.
4awd BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 5 THR A 179
THR A 306
THR A 305
GLY A 181
ALA A 234
 None
 1.40A 5bxnV-4awdA:
undetectable
5bxnb-4awdA:
undetectable		 5bxnV-4awdA:
20.34
5bxnb-4awdA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3o HYDROGENASE-1 LARGE
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases) 		5 HIS A 585
THR A 535
THR A 536
GLY A  29
ALA A 581
 MG  A1005 (-3.7A)
NFU  A1004 (-3.7A)
None
None
None
 1.21A 5bxnV-4c3oA:
undetectable
5bxnb-4c3oA:
undetectable		 5bxnV-4c3oA:
18.34
5bxnb-4c3oA:
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.
4dez DNA POLYMERASE IV 1

(Mycolicibacterium
smegmatis) 		PF00817
(IMS) 		5 THR A 200
THR A 191
THR A 190
GLY A 198
ALA A 196
 None
 1.36A 5bxnV-4dezA:
undetectable
5bxnb-4dezA:
undetectable		 5bxnV-4dezA:
20.33
5bxnb-4dezA:
19.15
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.
4dt5 ANTIFREEZE PROTEIN

(Rhagium
inquisitor) 		no annotation 5 SER A  75
THR A  41
GLY A  81
ALA A  83
THR A 101
 None
 1.49A 5bxnV-4dt5A:
undetectable
5bxnb-4dt5A:
undetectable		 5bxnV-4dt5A:
19.83
5bxnb-4dt5A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eqy ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Burkholderia
thailandensis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 HIS A 141
THR A  51
THR A 106
THR A  99
GLY A  67
 None
 1.43A 5bxnV-4eqyA:
undetectable
5bxnb-4eqyA:
undetectable		 5bxnV-4eqyA:
25.99
5bxnb-4eqyA:
20.57
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 SER A 248
THR A 166
THR A 164
GLY A 209
ALA A 267
 None
 1.40A 5bxnV-4fc7A:
undetectable
5bxnb-4fc7A:
undetectable		 5bxnV-4fc7A:
20.42
5bxnb-4fc7A:
21.09
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.47A 5bxnV-4g7eB:
undetectable
5bxnb-4g7eB:
undetectable		 5bxnV-4g7eB:
14.55
5bxnb-4g7eB:
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.
4gij PSEUDOURIDINE-5'-PHO
SPHATE GLYCOSIDASE

(Escherichia
coli) 		PF04227
(Indigoidine_A) 		5 SER A 201
THR A 174
THR A 175
GLY A 164
ALA A 195
 None
 1.18A 5bxnV-4gijA:
undetectable
5bxnb-4gijA:
undetectable		 5bxnV-4gijA:
23.08
5bxnb-4gijA:
20.94
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.
4hbc ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
HEAVY CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H   6
THR H  74
THR H  73
ALA H  20
THR H  18
 None
 1.42A 5bxnV-4hbcH:
undetectable
5bxnb-4hbcH:
undetectable		 5bxnV-4hbcH:
21.43
5bxnb-4hbcH:
20.70
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.
4i96 RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		5 SER A 234
THR A 286
THR A 287
GLY A 482
ALA A 235
 None
 1.46A 5bxnV-4i96A:
undetectable
5bxnb-4i96A:
undetectable		 5bxnV-4i96A:
22.76
5bxnb-4i96A:
23.34
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.
4ibn RIBONUCLEASE H

(uncultured
organism) 		PF00075
(RNase_H) 		5 HIS A 152
THR A  95
THR A  94
GLY A  39
ALA A 158
 None
 1.16A 5bxnV-4ibnA:
undetectable
5bxnb-4ibnA:
undetectable		 5bxnV-4ibnA:
20.78
5bxnb-4ibnA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ius GCN5-RELATED
N-ACETYLTRANSFERASE

(Kribbella
flavida) 		PF00583
(Acetyltransf_1) 		5 THR A 176
THR A 183
GLY A 187
ALA A 173
THR A 172
 EDO  A 504 (-3.4A)
None
None
None
None
 1.45A 5bxnV-4iusA:
undetectable
5bxnb-4iusA:
undetectable		 5bxnV-4iusA:
20.54
5bxnb-4iusA:
20.38
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.
4oie NON-STRUCTURAL
PROTEIN NS1

(West Nile virus) 		PF00948
(Flavi_NS1) 		5 SER A 348
THR A 325
ARG A 336
GLY A 332
ALA A 297
 None
 1.24A 5bxnV-4oieA:
undetectable
5bxnb-4oieA:
undetectable		 5bxnV-4oieA:
22.04
5bxnb-4oieA:
19.91
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.
4q3m MGS-M4

(unidentified) 		PF00248
(Aldo_ket_red) 		5 HIS A  41
THR A  44
THR A  72
THR A  71
GLY A  55
 None
 1.31A 5bxnV-4q3mA:
undetectable
5bxnb-4q3mA:
undetectable		 5bxnV-4q3mA:
23.73
5bxnb-4q3mA:
22.38
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 HIS A 268
SER A 264
THR A 749
GLY A 317
ALA A 319
 None
None
FAD  A 902 (-3.8A)
FAD  A 902 (-3.3A)
None
 1.21A 5bxnV-4qi7A:
undetectable
5bxnb-4qi7A:
undetectable		 5bxnV-4qi7A:
13.70
5bxnb-4qi7A:
13.42
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.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
THR K  21
LYS K  33
GLY K  47
ALA K  49
 None
 0.50A 5bxnV-4qv9K:
29.1
5bxnb-4qv9K:
28.9		 5bxnV-4qv9K:
28.87
5bxnb-4qv9K:
27.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1p L-ARABINOSE
ISOMERASE

(Geobacillus
kaustophilus) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 HIS A 448
THR A 277
THR A 278
GLY A 303
ALA A 313
 MN  A 501 (-3.4A)
None
None
None
None
 1.37A 5bxnV-4r1pA:
undetectable
5bxnb-4r1pA:
undetectable		 5bxnV-4r1pA:
19.68
5bxnb-4r1pA:
16.70
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.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		5 HIS A  23
THR A 140
THR A 184
THR A 183
ALA A  17
 None
 1.22A 5bxnV-4tx1A:
undetectable
5bxnb-4tx1A:
undetectable		 5bxnV-4tx1A:
22.40
5bxnb-4tx1A:
20.50
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 THR A 698
THR A 409
ARG A 396
GLY A 436
ALA A 438
 None
 1.35A 5bxnV-4u1rA:
undetectable
5bxnb-4u1rA:
undetectable		 5bxnV-4u1rA:
16.62
5bxnb-4u1rA:
15.50
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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 HIS E 273
THR E 113
GLY E 145
ALA E 208
THR E 230
 None
 1.42A 5bxnV-4whbE:
undetectable
5bxnb-4whbE:
undetectable		 5bxnV-4whbE:
21.85
5bxnb-4whbE:
19.13
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.
4z9r OMEGA-3
POLYUNSATURATED
FATTY ACID SYNTHASE
SUBUNIT PFAD

(Shewanella
oneidensis) 		PF03060
(NMO) 		5 THR A 324
THR A 285
GLY A 312
ALA A 270
THR A 269
 None
None
FMN  A 602 ( 4.8A)
None
None
 1.28A 5bxnV-4z9rA:
undetectable
5bxnb-4z9rA:
undetectable		 5bxnV-4z9rA:
18.13
5bxnb-4z9rA:
17.52
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 THR A 214
THR A 216
THR A 217
ARG A 501
THR A 502
 None
 1.12A 5bxnV-5az4A:
undetectable
5bxnb-5az4A:
undetectable		 5bxnV-5az4A:
15.38
5bxnb-5az4A:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5chl HISTONE H2A.Z

(Homo sapiens) 		PF00125
(Histone)
PF16211
(Histone_H2A_C) 		5 SER B 128
THR B  57
GLY B 121
ALA B 124
THR B 123
 None
 1.11A 5bxnV-5chlB:
undetectable
5bxnb-5chlB:
undetectable		 5bxnV-5chlB:
23.69
5bxnb-5chlB:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
THR H  21
LYS H  33
GLY H  47
ALA H  49
THR H  52
 None
 0.41A 5bxnV-5fg9H:
36.3
5bxnb-5fg9H:
28.1		 5bxnV-5fg9H:
97.88
5bxnb-5fg9H:
29.41
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.
5fl7 ATP SYNTHASE SUBUNIT
ALPHA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 SER A 298
THR A 199
THR A 202
GLY A 195
THR A 355
 None
ATP  A 600 (-4.9A)
MG  A 601 ( 2.8A)
None
None
 1.48A 5bxnV-5fl7A:
undetectable
5bxnb-5fl7A:
undetectable		 5bxnV-5fl7A:
19.41
5bxnb-5fl7A:
16.76
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
THR K  21
LYS K  33
GLY K  47
ALA K  49
 None
 0.73A 5bxnV-5l5wK:
29.1
5bxnb-5l5wK:
28.8		 5bxnV-5l5wK:
29.18
5bxnb-5l5wK:
28.37
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.
5lae PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE
OXIDASE,PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE OXIDASE

(Mus musculus) 		PF01593
(Amino_oxidase) 		5 SER A 481
THR A 222
THR A 474
GLY A  14
ALA A  16
 None
None
FAD  A1801 (-4.3A)
FAD  A1801 (-3.3A)
FAD  A1801 (-3.2A)
 1.28A 5bxnV-5laeA:
undetectable
5bxnb-5laeA:
undetectable		 5bxnV-5laeA:
18.15
5bxnb-5laeA:
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.
5lae PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE
OXIDASE,PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE OXIDASE

(Mus musculus) 		PF01593
(Amino_oxidase) 		5 THR A 222
THR A 475
THR A 474
GLY A  14
ALA A  16
 None
FAD  A1801 (-3.2A)
FAD  A1801 (-4.3A)
FAD  A1801 (-3.3A)
FAD  A1801 (-3.2A)
 1.28A 5bxnV-5laeA:
undetectable
5bxnb-5laeA:
undetectable		 5bxnV-5laeA:
18.15
5bxnb-5laeA:
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.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL

(Bos taurus) 		PF00346
(Complex1_49kDa)
PF01058
(Oxidored_q6) 		5 HIS D  84
SER B 131
THR D  87
ARG B 134
GLY B 123
 None
 1.20A 5bxnV-5lc5D:
undetectable
5bxnb-5lc5D:
undetectable		 5bxnV-5lc5D:
18.18
5bxnb-5lc5D:
18.12
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.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		5 THR A 121
THR A 216
GLY A 212
ALA A 167
THR A 168
 None
None
None
None
AKG  A 302 (-3.0A)
 1.44A 5bxnV-5m0tA:
undetectable
5bxnb-5m0tA:
undetectable		 5bxnV-5m0tA:
22.92
5bxnb-5m0tA:
20.14
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 5 HIS A 159
THR A 247
THR A 188
GLY A 250
THR A 355
 None
 1.47A 5bxnV-5mhfA:
undetectable
5bxnb-5mhfA:
undetectable		 5bxnV-5mhfA:
14.72
5bxnb-5mhfA:
12.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 SER A 713
THR A 345
THR A 341
ALA A 698
THR A 700
 None
 1.45A 5bxnV-5mpmA:
undetectable
5bxnb-5mpmA:
undetectable		 5bxnV-5mpmA:
17.26
5bxnb-5mpmA:
17.19
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 THR A  33
THR A  34
GLY A  28
ALA A 228
THR A 104
 None
None
FAD  A 601 (-3.2A)
None
FAD  A 601 (-4.5A)
 1.32A 5bxnV-5nitA:
undetectable
5bxnb-5nitA:
undetectable		 5bxnV-5nitA:
17.22
5bxnb-5nitA:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5njf METALLOPROTEASE PMBA
METALLOPROTEASE TLDD

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		5 THR A 426
LYS B 238
GLY A 246
ALA B 448
THR B 241
 None
 1.32A 5bxnV-5njfA:
undetectable
5bxnb-5njfA:
undetectable		 5bxnV-5njfA:
19.19
5bxnb-5njfA:
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.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		5 THR A   1
THR A  20
LYS A  32
GLY A  50
THR A  55
 None
 0.86A 5bxnV-5nyjA:
4.7
5bxnb-5nyjA:
21.6		 5bxnV-5nyjA:
26.89
5bxnb-5nyjA:
24.15
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.
5o0w NB474

(Vicugna pacos) 		PF07686
(V-set) 		5 THR E 104
THR E 123
ARG E  76
GLY E  35
ALA E  33
 None
 1.46A 5bxnV-5o0wE:
undetectable
5bxnb-5o0wE:
undetectable		 5bxnV-5o0wE:
18.38
5bxnb-5o0wE:
19.43
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.
5osn CAPSID PROTEIN

(Enterovirus E) 		PF00073
(Rhv) 		5 SER B  57
THR B 233
THR B  52
GLY B  91
ALA B  58
 None
 1.35A 5bxnV-5osnB:
undetectable
5bxnb-5osnB:
undetectable		 5bxnV-5osnB:
22.62
5bxnb-5osnB:
24.71
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.
5ovt BPH

(Thiobacillus
denitrificans) 		no annotation 5 THR A   1
THR A  20
LYS A  37
GLY A  50
ALA A  52
 PO4  A 301 ( 4.5A)
None
None
PO4  A 301 (-4.1A)
None
 0.45A 5bxnV-5ovtA:
19.6
5bxnb-5ovtA:
3.6		 5bxnV-5ovtA:
20.34
5bxnb-5ovtA:
22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR O   1
LYS O  33
GLY O  47
ALA O  49
THR O  52
 None
 0.97A 5bxnV-5t0hO:
29.8
5bxnb-5t0hO:
27.6		 5bxnV-5t0hO:
55.74
5bxnb-5t0hO:
30.57
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 SER A 319
THR A 286
THR A 287
THR A 288
ALA A 317
 None
EDO  A 818 (-4.2A)
None
EDO  A 818 (-4.1A)
None
 1.00A 5bxnV-5v1wA:
undetectable
5bxnb-5v1wA:
undetectable		 5bxnV-5v1wA:
14.87
5bxnb-5v1wA:
14.20
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 THR R   1
THR R  21
LYS R  33
GLY R  47
ALA R  49
 None
 0.62A 5bxnV-5vfrR:
27.6
5bxnb-5vfrR:
28.0		 5bxnV-5vfrR:
undetectable
5bxnb-5vfrR:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vlp FAB7G7 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS H 210
SER H 160
THR H 127
ALA H   9
THR H 118
 None
 1.42A 5bxnV-5vlpH:
undetectable
5bxnb-5vlpH:
undetectable		 5bxnV-5vlpH:
22.27
5bxnb-5vlpH:
22.27
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.
5x62 CARNOSINE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF07942
(N2227) 		5 HIS A 250
SER A 281
THR A 336
THR A 318
GLY A 315
 None
 1.20A 5bxnV-5x62A:
undetectable
5bxnb-5x62A:
undetectable		 5bxnV-5x62A:
18.34
5bxnb-5x62A:
20.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10
PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 6 HIS B 114
SER B 118
THR A   1
LYS A  33
GLY A  47
ALA A  49
 None
 0.56A 5bxnV-6avoB:
21.9
5bxnb-6avoB:
21.4		 5bxnV-6avoB:
43.40
5bxnb-6avoB:
21.20
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 SER A 238
THR A 271
THR A 272
ARG A 105
ALA A 266
 None
 1.40A 5bxnV-6cboA:
undetectable
5bxnb-6cboA:
undetectable		 5bxnV-6cboA:
12.93
5bxnb-6cboA:
17.71
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 THR L 404
THR L 275
THR L 276
ALA L 282
THR L 412
 None
 1.18A 5bxnV-6g2jL:
undetectable
5bxnb-6g2jL:
undetectable		 5bxnV-6g2jL:
17.05
5bxnb-6g2jL:
17.02