SIMILAR PATTERNS OF AMINO ACIDS FOR 4QW3_N_BO2N201

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
 1.19A 4qw3H-1cemA:
undetectable
4qw3N-1cemA:
undetectable		 4qw3H-1cemA:
18.97
4qw3N-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
 1.17A 4qw3H-1csjA:
undetectable
4qw3N-1csjA:
undetectable		 4qw3H-1csjA:
18.79
4qw3N-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.
1dkg NUCLEOTIDE EXCHANGE
FACTOR GRPE

(Escherichia
coli) 		PF01025
(GrpE) 		5 SER A 162
THR A 191
THR A 145
GLY A 168
ALA A 193
 None
 1.20A 4qw3H-1dkgA:
undetectable
4qw3N-1dkgA:
undetectable		 4qw3H-1dkgA:
19.58
4qw3N-1dkgA:
20.17
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		5 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.22A 4qw3H-1e3dB:
undetectable
4qw3N-1e3dB:
undetectable		 4qw3H-1e3dB:
18.77
4qw3N-1e3dB:
17.27
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.47A 4qw3H-1e9yB:
undetectable
4qw3N-1e9yB:
undetectable		 4qw3H-1e9yB:
18.56
4qw3N-1e9yB:
16.81
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.
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 4qw3H-1efyA:
undetectable
4qw3N-1efyA:
undetectable		 4qw3H-1efyA:
20.66
4qw3N-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.
1fno PEPTIDASE T

(Salmonella
enterica) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 382
THR A 386
THR A 130
THR A 131
GLY A 375
 None
 1.24A 4qw3H-1fnoA:
undetectable
4qw3N-1fnoA:
undetectable		 4qw3H-1fnoA:
20.53
4qw3N-1fnoA:
18.40
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.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 334
THR A 333
THR A 332
GLY A 309
ALA A 375
 FAD  A 701 (-2.8A)
None
None
FAD  A 701 (-3.4A)
FAD  A 701 (-3.8A)
 1.08A 4qw3H-1jscA:
undetectable
4qw3N-1jscA:
undetectable		 4qw3H-1jscA:
17.64
4qw3N-1jscA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.36A 4qw3H-1knyA:
undetectable
4qw3N-1knyA:
undetectable		 4qw3H-1knyA:
25.63
4qw3N-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.
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
 0.95A 4qw3H-1nexB:
undetectable
4qw3N-1nexB:
undetectable		 4qw3H-1nexB:
20.80
4qw3N-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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 SER A 127
THR A 108
THR A 107
THR A 106
ARG A 158
 None
None
None
None
POP  A1155 (-3.1A)
 1.37A 4qw3H-1ocmA:
undetectable
4qw3N-1ocmA:
undetectable		 4qw3H-1ocmA:
19.76
4qw3N-1ocmA:
18.56
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.
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
 0.50A 4qw3H-1q5qH:
24.0
4qw3N-1q5qH:
27.0		 4qw3H-1q5qH:
26.48
4qw3N-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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 THR A  60
THR A  23
THR A  26
GLY A  83
ALA A  81
 GTP  A 700 (-3.6A)
MG  A 701 ( 3.3A)
None
GTP  A 700 (-3.1A)
None
 1.41A 4qw3H-1wdtA:
undetectable
4qw3N-1wdtA:
undetectable		 4qw3H-1wdtA:
15.26
4qw3N-1wdtA:
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 SER A 271
THR A 421
THR A 423
GLY A  15
ALA A  17
 None
None
None
EDO  A 501 ( 4.3A)
None
 1.43A 4qw3H-1x3lA:
undetectable
4qw3N-1x3lA:
undetectable		 4qw3H-1x3lA:
21.21
4qw3N-1x3lA:
20.73
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.
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
 1.40A 4qw3H-1z3zA:
undetectable
4qw3N-1z3zA:
undetectable		 4qw3H-1z3zA:
21.11
4qw3N-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.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis) 		PF01177
(Asp_Glu_race) 		5 SER A 208
THR A  76
THR A  78
GLY A  14
THR A  17
 None
DGL  A1301 (-3.7A)
None
None
None
 1.45A 4qw3H-1zuwA:
undetectable
4qw3N-1zuwA:
undetectable		 4qw3H-1zuwA:
21.83
4qw3N-1zuwA:
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.
1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF01238
(PMI_typeI) 		5 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.42A 4qw3H-1zx5A:
undetectable
4qw3N-1zx5A:
undetectable		 4qw3H-1zx5A:
23.08
4qw3N-1zx5A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 4qw3H-2anpA:
undetectable
4qw3N-2anpA:
undetectable		 4qw3H-2anpA:
21.69
4qw3N-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)
 1.47A 4qw3H-2cgjA:
undetectable
4qw3N-2cgjA:
undetectable		 4qw3H-2cgjA:
17.68
4qw3N-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.
2dxq ACETYLTRANSFERASE

(Agrobacterium
fabrum) 		PF00583
(Acetyltransf_1) 		5 HIS A 105
THR A  52
THR A  67
GLY A  12
ALA A  10
 None
 1.42A 4qw3H-2dxqA:
undetectable
4qw3N-2dxqA:
undetectable		 4qw3H-2dxqA:
22.03
4qw3N-2dxqA:
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.
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
 0.59A 4qw3H-2fhgH:
23.4
4qw3N-2fhgH:
25.8		 4qw3H-2fhgH:
26.85
4qw3N-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.
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
 1.34A 4qw3H-2g28A:
undetectable
4qw3N-2g28A:
undetectable		 4qw3H-2g28A:
13.96
4qw3N-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
 1.38A 4qw3H-2hxgA:
undetectable
4qw3N-2hxgA:
undetectable		 4qw3H-2hxgA:
19.59
4qw3N-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.
2jfq GLUTAMATE RACEMASE

(Staphylococcus
aureus) 		PF01177
(Asp_Glu_race) 		5 SER A 207
THR A  74
THR A  76
GLY A  13
THR A  16
 None
DGL  A1267 (-3.7A)
None
None
None
 1.48A 4qw3H-2jfqA:
undetectable
4qw3N-2jfqA:
undetectable		 4qw3H-2jfqA:
19.42
4qw3N-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.
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
 1.37A 4qw3H-2jfqA:
undetectable
4qw3N-2jfqA:
undetectable		 4qw3H-2jfqA:
19.42
4qw3N-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.
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 4qw3H-2uzhA:
undetectable
4qw3N-2uzhA:
undetectable		 4qw3H-2uzhA:
22.22
4qw3N-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
 1.29A 4qw3H-2xymA:
undetectable
4qw3N-2xymA:
undetectable		 4qw3H-2xymA:
17.74
4qw3N-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.
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)
 1.35A 4qw3H-3ayxA:
undetectable
4qw3N-3ayxA:
undetectable		 4qw3H-3ayxA:
15.58
4qw3N-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.
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
 1.39A 4qw3H-3eytA:
undetectable
4qw3N-3eytA:
undetectable		 4qw3H-3eytA:
22.17
4qw3N-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
 1.29A 4qw3H-3f3kA:
undetectable
4qw3N-3f3kA:
undetectable		 4qw3H-3f3kA:
22.07
4qw3N-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
 1.47A 4qw3H-3fpzA:
undetectable
4qw3N-3fpzA:
undetectable		 4qw3H-3fpzA:
20.00
4qw3N-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
 1.26A 4qw3H-3g10A:
undetectable
4qw3N-3g10A:
undetectable		 4qw3H-3g10A:
19.88
4qw3N-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.
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
 1.24A 4qw3H-3gszA:
undetectable
4qw3N-3gszA:
undetectable		 4qw3H-3gszA:
17.03
4qw3N-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.
3hmu AMINOTRANSFERASE,
CLASS III

(Ruegeria
pomeroyi) 		PF00202
(Aminotran_3) 		5 SER A 324
THR A 287
THR A 129
GLY A 123
ALA A 120
 None
None
None
SO4  A 471 (-3.3A)
None
 1.44A 4qw3H-3hmuA:
undetectable
4qw3N-3hmuA:
undetectable		 4qw3H-3hmuA:
19.17
4qw3N-3hmuA:
17.97
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.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 HIS A 311
SER A 339
THR A 231
GLY A 307
ALA A 309
 None
 1.44A 4qw3H-3kehA:
undetectable
4qw3N-3kehA:
undetectable		 4qw3H-3kehA:
19.72
4qw3N-3kehA:
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.
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
 1.45A 4qw3H-3kzuA:
undetectable
4qw3N-3kzuA:
undetectable		 4qw3H-3kzuA:
21.26
4qw3N-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.
3l9x GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFC,
LINKER, ANCILLARY
PROTEIN KEFF

(Escherichia
coli) 		PF02254
(TrkA_N)
PF02525
(Flavodoxin_2) 		5 HIS A1008
SER A1014
THR A1105
THR A1106
ALA A1016
 FMN  A2400 (-4.1A)
FMN  A2400 (-2.7A)
FMN  A2400 (-3.6A)
FMN  A2400 (-3.9A)
FMN  A2400 (-3.6A)
 1.46A 4qw3H-3l9xA:
undetectable
4qw3N-3l9xA:
undetectable		 4qw3H-3l9xA:
19.40
4qw3N-3l9xA:
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.
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
 1.45A 4qw3H-3la4A:
undetectable
4qw3N-3la4A:
undetectable		 4qw3H-3la4A:
15.16
4qw3N-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
 1.03A 4qw3H-3ln7A:
undetectable
4qw3N-3ln7A:
undetectable		 4qw3H-3ln7A:
16.05
4qw3N-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 4qw3H-3lqaG:
undetectable
4qw3N-3lqaG:
undetectable		 4qw3H-3lqaG:
20.49
4qw3N-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.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 SER A 149
THR A  98
THR A  99
ALA A 150
THR A 154
 None
 1.40A 4qw3H-3m1aA:
undetectable
4qw3N-3m1aA:
undetectable		 4qw3H-3m1aA:
22.82
4qw3N-3m1aA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.47A 4qw3H-3mg6N:
27.5
4qw3N-3mg6N:
38.5		 4qw3H-3mg6N:
29.49
4qw3N-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
 1.43A 4qw3H-3mg6N:
27.5
4qw3N-3mg6N:
38.5		 4qw3H-3mg6N:
29.49
4qw3N-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
 1.41A 4qw3H-3muuA:
undetectable
4qw3N-3muuA:
undetectable		 4qw3H-3muuA:
16.39
4qw3N-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.
3pbi INVASION PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 THR A  69
THR A  67
ARG A 118
GLY A  74
ALA A 161
 None
 1.24A 4qw3H-3pbiA:
undetectable
4qw3N-3pbiA:
undetectable		 4qw3H-3pbiA:
21.14
4qw3N-3pbiA:
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.
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
 1.40A 4qw3H-3qgkC:
undetectable
4qw3N-3qgkC:
undetectable		 4qw3H-3qgkC:
18.73
4qw3N-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.
3rfw CELL-BINDING FACTOR
2

(Campylobacter
jejuni) 		PF13616
(Rotamase_3) 		5 THR A 209
THR A 211
THR A 212
THR A 213
ALA A 201
 None
 1.35A 4qw3H-3rfwA:
undetectable
4qw3N-3rfwA:
undetectable		 4qw3H-3rfwA:
23.13
4qw3N-3rfwA:
23.36
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.
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
 1.33A 4qw3H-3rgwL:
undetectable
4qw3N-3rgwL:
undetectable		 4qw3H-3rgwL:
16.21
4qw3N-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
 1.40A 4qw3H-3sirA:
undetectable
4qw3N-3sirA:
undetectable		 4qw3H-3sirA:
20.91
4qw3N-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)
 1.27A 4qw3H-3tjrA:
undetectable
4qw3N-3tjrA:
undetectable		 4qw3H-3tjrA:
21.59
4qw3N-3tjrA:
22.56
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)
 1.40A 4qw3H-3unfH:
33.8
4qw3N-3unfH:
30.8		 4qw3H-3unfH:
46.78
4qw3N-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)
 0.67A 4qw3H-3unfH:
33.8
4qw3N-3unfH:
30.8		 4qw3H-3unfH:
46.78
4qw3N-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
 1.31A 4qw3H-3uscL:
undetectable
4qw3N-3uscL:
undetectable		 4qw3H-3uscL:
17.26
4qw3N-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 4qw3H-3wxrL:
27.2
4qw3N-3wxrL:
28.7		 4qw3H-3wxrL:
29.29
4qw3N-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.
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
 1.25A 4qw3H-4c3oA:
undetectable
4qw3N-4c3oA:
undetectable		 4qw3H-4c3oA:
18.17
4qw3N-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 4qw3H-4dezA:
undetectable
4qw3N-4dezA:
undetectable		 4qw3H-4dezA:
20.33
4qw3N-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.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		5 THR A  34
THR A  81
GLY A  60
ALA A 103
THR A 104
 None
 1.25A 4qw3H-4ex9A:
undetectable
4qw3N-4ex9A:
undetectable		 4qw3H-4ex9A:
22.39
4qw3N-4ex9A:
20.06
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.
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
 1.43A 4qw3H-4fc7A:
undetectable
4qw3N-4fc7A:
undetectable		 4qw3H-4fc7A:
20.42
4qw3N-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
 1.45A 4qw3H-4g7eB:
undetectable
4qw3N-4g7eB:
undetectable		 4qw3H-4g7eB:
14.55
4qw3N-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
 1.25A 4qw3H-4gijA:
undetectable
4qw3N-4gijA:
undetectable		 4qw3H-4gijA:
23.37
4qw3N-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
 1.45A 4qw3H-4hbcH:
undetectable
4qw3N-4hbcH:
undetectable		 4qw3H-4hbcH:
21.43
4qw3N-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.
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
 1.21A 4qw3H-4ibnA:
undetectable
4qw3N-4ibnA:
undetectable		 4qw3H-4ibnA:
21.18
4qw3N-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.
4itx CYSTATHIONINE
BETA-LYASE METC

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 SER A 114
THR A 160
GLY A 157
ALA A 110
THR A 107
 None
 1.29A 4qw3H-4itxA:
undetectable
4qw3N-4itxA:
undetectable		 4qw3H-4itxA:
20.42
4qw3N-4itxA:
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.
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
 1.46A 4qw3H-4iusA:
undetectable
4qw3N-4iusA:
undetectable		 4qw3H-4iusA:
20.20
4qw3N-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.
4km3 METHIONINE
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF00557
(Peptidase_M24) 		5 SER A  74
THR A 248
THR A 244
ARG A  85
ALA A  82
 None
 1.43A 4qw3H-4km3A:
undetectable
4qw3N-4km3A:
undetectable		 4qw3H-4km3A:
21.85
4qw3N-4km3A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 4qw3H-4oieA:
undetectable
4qw3N-4oieA:
undetectable		 4qw3H-4oieA:
22.45
4qw3N-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.
4oqq DEOXYRIBONUCLEOSIDE
REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 THR A 208
THR A 118
THR A 151
ARG A 282
GLY A 210
 BCN  A 401 (-3.5A)
BCN  A 401 (-3.2A)
None
BCN  A 401 ( 4.8A)
BCN  A 401 (-3.6A)
 1.20A 4qw3H-4oqqA:
undetectable
4qw3N-4oqqA:
undetectable		 4qw3H-4oqqA:
22.30
4qw3N-4oqqA:
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.
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
 0.51A 4qw3H-4qv9K:
27.4
4qw3N-4qv9K:
28.8		 4qw3H-4qv9K:
29.29
4qw3N-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
 1.42A 4qw3H-4r1pA:
undetectable
4qw3N-4r1pA:
undetectable		 4qw3H-4r1pA:
19.68
4qw3N-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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 HIS B 160
THR B 185
ARG B 225
GLY B 200
THR B 213
 None
 1.08A 4qw3H-4tqoB:
undetectable
4qw3N-4tqoB:
undetectable		 4qw3H-4tqoB:
19.58
4qw3N-4tqoB:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 4qw3H-4tx1A:
undetectable
4qw3N-4tx1A:
undetectable		 4qw3H-4tx1A:
20.33
4qw3N-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
 1.36A 4qw3H-4u1rA:
undetectable
4qw3N-4u1rA:
undetectable		 4qw3H-4u1rA:
16.35
4qw3N-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 4qw3H-4whbE:
undetectable
4qw3N-4whbE:
undetectable		 4qw3H-4whbE:
21.85
4qw3N-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 4qw3H-4z9rA:
undetectable
4qw3N-4z9rA:
undetectable		 4qw3H-4z9rA:
18.13
4qw3N-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 SER A 647
THR A 214
ARG A 501
GLY A 233
THR A 502
 None
 1.43A 4qw3H-5az4A:
undetectable
4qw3N-5az4A:
undetectable		 4qw3H-5az4A:
16.17
4qw3N-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.
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 4qw3H-5az4A:
undetectable
4qw3N-5az4A:
undetectable		 4qw3H-5az4A:
16.17
4qw3N-5az4A:
14.61
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
 0.43A 4qw3H-5fg9H:
36.5
4qw3N-5fg9H:
27.9		 4qw3H-5fg9H:
98.31
4qw3N-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
 1.46A 4qw3H-5fl7A:
undetectable
4qw3N-5fl7A:
undetectable		 4qw3H-5fl7A:
19.84
4qw3N-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
 0.74A 4qw3H-5l5wK:
27.6
4qw3N-5l5wK:
28.8		 4qw3H-5l5wK:
29.61
4qw3N-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)
 1.32A 4qw3H-5laeA:
undetectable
4qw3N-5laeA:
undetectable		 4qw3H-5laeA:
18.15
4qw3N-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)
 1.27A 4qw3H-5laeA:
undetectable
4qw3N-5laeA:
undetectable		 4qw3H-5laeA:
18.15
4qw3N-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.
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)
 1.42A 4qw3H-5m0tA:
undetectable
4qw3N-5m0tA:
undetectable		 4qw3H-5m0tA:
23.23
4qw3N-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.
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
 1.48A 4qw3H-5mpmA:
undetectable
4qw3N-5mpmA:
undetectable		 4qw3H-5mpmA:
17.26
4qw3N-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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 THR B 373
THR B 378
GLY B 370
ALA B 342
THR B 346
 None
 1.35A 4qw3H-5nd1B:
undetectable
4qw3N-5nd1B:
undetectable		 4qw3H-5nd1B:
18.14
4qw3N-5nd1B:
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.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		5 THR A   1
THR A  20
LYS A  32
GLY A  50
THR A  55
 None
 0.88A 4qw3H-5nyjA:
7.2
4qw3N-5nyjA:
21.7		 4qw3H-5nyjA:
26.89
4qw3N-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 4qw3H-5o0wE:
undetectable
4qw3N-5o0wE:
undetectable		 4qw3H-5o0wE:
18.97
4qw3N-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
 1.38A 4qw3H-5osnB:
undetectable
4qw3N-5osnB:
undetectable		 4qw3H-5osnB:
22.22
4qw3N-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 4qw3H-5ovtA:
7.5
4qw3N-5ovtA:
5.7		 4qw3H-5ovtA:
20.34
4qw3N-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
 0.99A 4qw3H-5t0hO:
29.0
4qw3N-5t0hO:
27.7		 4qw3H-5t0hO:
56.17
4qw3N-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
 0.98A 4qw3H-5v1wA:
undetectable
4qw3N-5v1wA:
undetectable		 4qw3H-5v1wA:
15.01
4qw3N-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
 0.63A 4qw3H-5vfrR:
26.1
4qw3N-5vfrR:
28.2		 4qw3H-5vfrR:
undetectable
4qw3N-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
 1.45A 4qw3H-5vlpH:
undetectable
4qw3N-5vlpH:
undetectable		 4qw3H-5vlpH:
22.27
4qw3N-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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 5 HIS A 309
THR A 295
GLY A 301
ALA A 305
THR A 170
 None
 1.12A 4qw3H-5wgcA:
undetectable
4qw3N-5wgcA:
undetectable		 4qw3H-5wgcA:
17.61
4qw3N-5wgcA:
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.
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
 1.17A 4qw3H-5x62A:
undetectable
4qw3N-5x62A:
undetectable		 4qw3H-5x62A:
18.34
4qw3N-5x62A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 SER A  26
THR A  90
THR A 105
ALA A 108
THR A  60
 None
 1.18A 4qw3H-5xqoA:
undetectable
4qw3N-5xqoA:
undetectable		 4qw3H-5xqoA:
16.52
4qw3N-5xqoA:
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.
5zov -

(-) 		no annotation 5 THR A 408
THR A 407
GLY A 411
ALA A  92
THR A  88
 None
 1.25A 4qw3H-5zovA:
undetectable
4qw3N-5zovA:
undetectable		 4qw3H-5zovA:
undetectable
4qw3N-5zovA:
undetectable
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
 0.54A 4qw3H-6avoB:
21.9
4qw3N-6avoB:
21.3		 4qw3H-6avoB:
43.40
4qw3N-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
 1.44A 4qw3H-6cboA:
undetectable
4qw3N-6cboA:
undetectable		 4qw3H-6cboA:
13.14
4qw3N-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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT F
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G

(Pyrococcus
furiosus) 		no annotation 5 THR C  86
THR C  43
THR C  42
GLY C  90
THR B  72
 None
 1.30A 4qw3H-6cfwC:
undetectable
4qw3N-6cfwC:
undetectable		 4qw3H-6cfwC:
15.95
4qw3N-6cfwC:
17.34
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.
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
 1.20A 4qw3H-6g2jL:
undetectable
4qw3N-6g2jL:
undetectable		 4qw3H-6g2jL:
17.05
4qw3N-6g2jL:
17.02