SIMILAR PATTERNS OF AMINO ACIDS FOR 5L5Z_N_BO2N201_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 HIS A 133
SER A 179
THR A 233
SER A  46
THR A 363
 None
None
SO4  A 400 ( 4.1A)
None
None
 1.34A 5l5zH-1bs0A:
undetectable
5l5zN-1bs0A:
undetectable		 5l5zH-1bs0A:
19.59
5l5zN-1bs0A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5l5zH-1cemA:
undetectable
5l5zN-1cemA:
undetectable		 5l5zH-1cemA:
18.97
5l5zN-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
 1.16A 5l5zH-1csjA:
undetectable
5l5zN-1csjA:
undetectable		 5l5zH-1csjA:
18.79
5l5zN-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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 THR C 168
THR A  11
ARG C 281
SER C 174
GLY C 178
 CA  C1600 (-3.5A)
None
None
CA  C1600 (-2.5A)
None
 1.28A 5l5zH-1d7wC:
undetectable
5l5zN-1d7wC:
undetectable		 5l5zH-1d7wC:
19.18
5l5zN-1d7wC:
16.19
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.
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 5l5zH-1dkgA:
undetectable
5l5zN-1dkgA:
undetectable		 5l5zH-1dkgA:
19.58
5l5zN-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
 1.20A 5l5zH-1e3dB:
undetectable
5l5zN-1e3dB:
undetectable		 5l5zH-1e3dB:
18.77
5l5zN-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.
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
 1.23A 5l5zH-1efyA:
undetectable
5l5zN-1efyA:
undetectable		 5l5zH-1efyA:
20.66
5l5zN-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
 1.33A 5l5zH-1hpgA:
undetectable
5l5zN-1hpgA:
undetectable		 5l5zH-1hpgA:
21.07
5l5zN-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.
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 5l5zH-1jscA:
undetectable
5l5zN-1jscA:
undetectable		 5l5zH-1jscA:
17.64
5l5zN-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.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 HIS A  80
SER A  76
THR A 213
GLY A 204
ALA A 208
 None
 1.31A 5l5zH-1k4qA:
undetectable
5l5zN-1k4qA:
undetectable		 5l5zH-1k4qA:
21.27
5l5zN-1k4qA:
17.75
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT

(Klebsiella
pneumoniae) 		PF08841
(DDR) 		5 THR A  14
THR A  13
SER A  31
GLY A  32
ALA A  52
 None
 1.18A 5l5zH-1nbwA:
undetectable
5l5zN-1nbwA:
undetectable		 5l5zH-1nbwA:
17.77
5l5zN-1nbwA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 5l5zH-1nexB:
undetectable
5l5zN-1nexB:
undetectable		 5l5zH-1nexB:
20.80
5l5zN-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 5l5zH-1q5qH:
24.1
5l5zN-1q5qH:
27.1		 5l5zH-1q5qH:
26.48
5l5zN-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.
1uyv ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF01039
(Carboxyl_trans) 		5 HIS A1925
SER A1928
SER A1871
GLY A1872
ALA A1874
 None
 1.25A 5l5zH-1uyvA:
undetectable
5l5zN-1uyvA:
undetectable		 5l5zH-1uyvA:
15.92
5l5zN-1uyvA:
15.76
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.
1wyy E2 GLYCOPROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2) 		5 THR A 921
THR A 922
THR A 923
SER A 914
ALA A1171
 None
 1.28A 5l5zH-1wyyA:
undetectable
5l5zN-1wyyA:
undetectable		 5l5zH-1wyyA:
22.78
5l5zN-1wyyA:
24.27
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.
1xkw FE(III)-PYOCHELIN
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 THR A 393
THR A 433
THR A 434
THR A 435
SER A 360
 None
 1.19A 5l5zH-1xkwA:
undetectable
5l5zN-1xkwA:
undetectable		 5l5zH-1xkwA:
15.11
5l5zN-1xkwA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 SER A 358
THR A 258
LYS A 394
SER A 251
GLY A 252
 None
 1.33A 5l5zH-1yzyA:
undetectable
5l5zN-1yzyA:
undetectable		 5l5zH-1yzyA:
19.62
5l5zN-1yzyA:
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.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A 258
LYS A 394
SER A 251
GLY A 252
THR A 356
 None
 1.16A 5l5zH-1yzyA:
undetectable
5l5zN-1yzyA:
undetectable		 5l5zH-1yzyA:
19.62
5l5zN-1yzyA:
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.
2af5 ENGINEERED OUTER
SURFACE PROTEIN A
(OSPA) WITH THE
INSERTED TWO
BETA-HAIRPINS

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		5 THR A 222
THR A 223
SER A 201
GLY A 202
ALA A 204
 None
 1.33A 5l5zH-2af5A:
undetectable
5l5zN-2af5A:
undetectable		 5l5zH-2af5A:
21.21
5l5zN-2af5A:
22.52
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.
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
 0.55A 5l5zH-2fhgH:
23.4
5l5zN-2fhgH:
25.9		 5l5zH-2fhgH:
26.85
5l5zN-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.
2fkj OUTER SURFACE
PROTEIN A

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		5 THR A 287
THR A 291
THR A 292
SER A 270
GLY A 271
 None
 1.23A 5l5zH-2fkjA:
undetectable
5l5zN-2fkjA:
undetectable		 5l5zH-2fkjA:
19.51
5l5zN-2fkjA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		5 THR A 168
THR A  11
ARG A 281
SER A 174
GLY A 178
 CA  A1503 (-3.8A)
None
None
CA  A1503 (-2.6A)
None
 1.23A 5l5zH-2gjmA:
undetectable
5l5zN-2gjmA:
undetectable		 5l5zH-2gjmA:
18.62
5l5zN-2gjmA:
14.83
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
 1.21A 5l5zH-2iphA:
undetectable
5l5zN-2iphA:
undetectable		 5l5zH-2iphA:
22.76
5l5zN-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.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 THR A 126
THR A 125
SER A 377
GLY A 376
ALA A 380
 None
None
SCY  A 129 ( 3.6A)
SCY  A 129 ( 3.5A)
None
 0.83A 5l5zH-2p8uA:
undetectable
5l5zN-2p8uA:
undetectable		 5l5zH-2p8uA:
17.88
5l5zN-2p8uA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 THR A 163
THR A 162
SER A 414
GLY A 413
ALA A 417
 None
None
HMG  A1509 (-3.4A)
HMG  A1509 (-3.5A)
None
 0.81A 5l5zH-2wyaA:
undetectable
5l5zN-2wyaA:
undetectable		 5l5zH-2wyaA:
19.74
5l5zN-2wyaA:
18.18
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.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 THR A 244
THR A 266
SER A 237
GLY A 238
ALA A 172
 None
 1.22A 5l5zH-2wyxA:
undetectable
5l5zN-2wyxA:
undetectable		 5l5zH-2wyxA:
21.29
5l5zN-2wyxA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.28A 5l5zH-2xymA:
undetectable
5l5zN-2xymA:
undetectable		 5l5zH-2xymA:
17.74
5l5zN-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.
3ad9 SARCOSINE OXIDASE
GAMMA SUBUNIT

(Corynebacterium
sp. U-96) 		PF04268
(SoxG) 		5 THR C  38
THR C  39
SER C  75
GLY C  76
ALA C  78
 None
 1.31A 5l5zH-3ad9C:
undetectable
5l5zN-3ad9C:
undetectable		 5l5zH-3ad9C:
25.86
5l5zN-3ad9C:
20.47
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.
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 5l5zH-3ayxA:
undetectable
5l5zN-3ayxA:
undetectable		 5l5zH-3ayxA:
15.58
5l5zN-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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		5 THR A 235
THR A 236
SER A 268
GLY A 267
ALA A 145
 None
 0.86A 5l5zH-3bjeA:
undetectable
5l5zN-3bjeA:
undetectable		 5l5zH-3bjeA:
21.62
5l5zN-3bjeA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A 263
LYS A 401
SER A 256
GLY A 257
THR A 363
 None
 1.16A 5l5zH-3dqqA:
undetectable
5l5zN-3dqqA:
undetectable		 5l5zH-3dqqA:
21.10
5l5zN-3dqqA:
19.01
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.
3eex OUTER SURFACE
PROTEIN A

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		5 THR A 241
THR A 245
THR A 246
SER A 224
GLY A 225
 None
 1.26A 5l5zH-3eexA:
undetectable
5l5zN-3eexA:
undetectable		 5l5zH-3eexA:
21.43
5l5zN-3eexA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 5l5zH-3f3kA:
undetectable
5l5zN-3f3kA:
undetectable		 5l5zH-3f3kA:
22.07
5l5zN-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.
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
 1.22A 5l5zH-3g10A:
undetectable
5l5zN-3g10A:
undetectable		 5l5zH-3g10A:
19.88
5l5zN-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 5l5zH-3gszA:
undetectable
5l5zN-3gszA:
undetectable		 5l5zH-3gszA:
17.03
5l5zN-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.
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 5l5zH-3ln7A:
undetectable
5l5zN-3ln7A:
undetectable		 5l5zH-3ln7A:
16.05
5l5zN-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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		5 HIS A 249
THR A  93
SER A  87
GLY A  86
ALA A 299
 None
 1.32A 5l5zH-3mc2A:
undetectable
5l5zN-3mc2A:
undetectable		 5l5zH-3mc2A:
16.91
5l5zN-3mc2A:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 10 THR N   1
THR N  20
THR N  21
THR N  22
LYS N  33
ARG N  45
SER N  46
GLY N  47
ALA N  49
THR N  52
 None
 0.47A 5l5zH-3mg6N:
27.5
5l5zN-3mg6N:
38.7		 5l5zH-3mg6N:
29.49
5l5zN-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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA
6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 HIS A 389
SER A 388
THR B 203
SER B 213
GLY B 210
 None
 1.33A 5l5zH-3o8oA:
undetectable
5l5zN-3o8oA:
undetectable		 5l5zH-3o8oA:
16.13
5l5zN-3o8oA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.25A 5l5zH-3pbiA:
undetectable
5l5zN-3pbiA:
undetectable		 5l5zH-3pbiA:
21.14
5l5zN-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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 HIS A 177
SER A 497
THR A 158
THR A 181
SER A 330
 None
 1.33A 5l5zH-3redA:
undetectable
5l5zN-3redA:
undetectable		 5l5zH-3redA:
17.33
5l5zN-3redA:
17.88
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 5l5zH-3rgwL:
undetectable
5l5zN-3rgwL:
undetectable		 5l5zH-3rgwL:
16.21
5l5zN-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.
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)
 1.28A 5l5zH-3tjrA:
undetectable
5l5zN-3tjrA:
undetectable		 5l5zH-3tjrA:
21.59
5l5zN-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)
 1.26A 5l5zH-3uhjA:
undetectable
5l5zN-3uhjA:
undetectable		 5l5zH-3uhjA:
21.54
5l5zN-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) 		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 5l5zH-3unfH:
34.0
5l5zN-3unfH:
30.9		 5l5zH-3unfH:
46.78
5l5zN-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 5l5zH-3uscL:
undetectable
5l5zN-3uscL:
undetectable		 5l5zH-3uscL:
17.26
5l5zN-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.
3vti HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 THR C  68
SER C 162
GLY C 163
ALA C  98
THR C  94
 None
 1.22A 5l5zH-3vtiC:
undetectable
5l5zN-3vtiC:
undetectable		 5l5zH-3vtiC:
22.40
5l5zN-3vtiC:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.74A 5l5zH-3wxrL:
27.3
5l5zN-3wxrL:
28.7		 5l5zH-3wxrL:
29.29
5l5zN-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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   2
THR L   1
SER L 174
GLY L 173
ALA L 165
 None
 0.92A 5l5zH-3wxrL:
27.3
5l5zN-3wxrL:
28.7		 5l5zH-3wxrL:
29.29
5l5zN-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.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		5 THR A 244
THR A 266
SER A 237
GLY A 238
ALA A 172
 None
 1.27A 5l5zH-3znyA:
undetectable
5l5zN-3znyA:
undetectable		 5l5zH-3znyA:
21.86
5l5zN-3znyA:
20.83
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.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		5 THR A 406
THR A 407
ARG A 266
GLY A 285
ALA A 283
 None
 1.28A 5l5zH-4ap5A:
undetectable
5l5zN-4ap5A:
undetectable		 5l5zH-4ap5A:
21.39
5l5zN-4ap5A:
18.97
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.
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
 1.22A 5l5zH-4c3oA:
undetectable
5l5zN-4c3oA:
undetectable		 5l5zH-4c3oA:
18.17
5l5zN-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.
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 5l5zH-4ex9A:
undetectable
5l5zN-4ex9A:
undetectable		 5l5zH-4ex9A:
22.39
5l5zN-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.
4eyc CATHELICIDIN
ANTIMICROBIAL
PEPTIDE

(Homo sapiens) 		PF00666
(Cathelicidins) 		5 HIS A  -1
SER A  -2
SER A 120
GLY A 119
ALA A 117
 None
 1.29A 5l5zH-4eycA:
undetectable
5l5zN-4eycA:
undetectable		 5l5zH-4eycA:
15.32
5l5zN-4eycA:
18.37
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.
4f21 CARBOXYLESTERASE/PHO
SPHOLIPASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF02230
(Abhydrolase_2) 		5 THR A 141
THR A 123
THR A 125
SER A 116
GLY A 118
 None
 1.28A 5l5zH-4f21A:
undetectable
5l5zN-4f21A:
undetectable		 5l5zH-4f21A:
21.17
5l5zN-4f21A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 5l5zH-4gijA:
undetectable
5l5zN-4gijA:
undetectable		 5l5zH-4gijA:
23.37
5l5zN-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.
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
 1.18A 5l5zH-4ibnA:
undetectable
5l5zN-4ibnA:
undetectable		 5l5zH-4ibnA:
21.18
5l5zN-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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		5 SER A 358
ARG A 377
SER A 378
GLY A 352
ALA A 354
 None
 1.12A 5l5zH-4icqA:
undetectable
5l5zN-4icqA:
undetectable		 5l5zH-4icqA:
19.81
5l5zN-4icqA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5l5zH-4itxA:
undetectable
5l5zN-4itxA:
undetectable		 5l5zH-4itxA:
20.42
5l5zN-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.
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 5l5zH-4oieA:
undetectable
5l5zN-4oieA:
undetectable		 5l5zH-4oieA:
22.45
5l5zN-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)
 1.21A 5l5zH-4oqqA:
undetectable
5l5zN-4oqqA:
undetectable		 5l5zH-4oqqA:
22.30
5l5zN-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.
4oy7 PUTATIVE SECRETED
CELLULOSE BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF03067
(LPMO_10) 		5 THR A 126
ARG A 200
SER A 201
GLY A 202
ALA A 204
 None
 1.33A 5l5zH-4oy7A:
undetectable
5l5zN-4oy7A:
undetectable		 5l5zH-4oy7A:
21.70
5l5zN-4oy7A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.24A 5l5zH-4qi7A:
undetectable
5l5zN-4qi7A:
undetectable		 5l5zH-4qi7A:
13.68
5l5zN-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
 0.51A 5l5zH-4qv9K:
27.5
5l5zN-4qv9K:
28.8		 5l5zH-4qv9K:
29.29
5l5zN-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.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   2
THR K   1
SER K 174
GLY K 173
ALA K 165
 None
 0.95A 5l5zH-4qv9K:
27.5
5l5zN-4qv9K:
28.8		 5l5zH-4qv9K:
29.29
5l5zN-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.
4r7f UNCHARACTERIZED
PROTEIN

(Parabacteroides
merdae) 		PF17116
(DUF5103) 		5 THR A 113
THR A 114
THR A 115
SER A 252
ALA A 309
 None
 1.33A 5l5zH-4r7fA:
undetectable
5l5zN-4r7fA:
undetectable		 5l5zH-4r7fA:
17.36
5l5zN-4r7fA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 THR A  70
SER A 172
GLY A 173
ALA A 160
THR A 161
 None
 1.26A 5l5zH-4ryeA:
undetectable
5l5zN-4ryeA:
undetectable		 5l5zH-4ryeA:
23.76
5l5zN-4ryeA:
21.38
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.
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 5l5zH-4tqoB:
undetectable
5l5zN-4tqoB:
undetectable		 5l5zH-4tqoB:
19.58
5l5zN-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
 1.18A 5l5zH-4tx1A:
undetectable
5l5zN-4tx1A:
undetectable		 5l5zH-4tx1A:
20.33
5l5zN-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.
4usr MONOOXYGENASE

(Pseudomonas
stutzeri) 		PF13738
(Pyr_redox_3) 		5 THR A 338
THR A  18
THR A  19
SER A 329
GLY A 320
 None
None
None
None
FAD  A1355 (-4.4A)
 1.23A 5l5zH-4usrA:
undetectable
5l5zN-4usrA:
undetectable		 5l5zH-4usrA:
23.31
5l5zN-4usrA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 HIS E 372
THR E 108
THR E 109
SER E 409
GLY E 408
 None
 1.14A 5l5zH-4whbE:
undetectable
5l5zN-4whbE:
undetectable		 5l5zH-4whbE:
21.85
5l5zN-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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 THR A 267
THR A 266
THR A 265
SER A 272
ALA A 310
 None
 1.26A 5l5zH-4yrpA:
undetectable
5l5zN-4yrpA:
undetectable		 5l5zH-4yrpA:
19.04
5l5zN-4yrpA:
18.34
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.
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
 1.26A 5l5zH-4z9rA:
undetectable
5l5zN-4z9rA:
undetectable		 5l5zH-4z9rA:
18.13
5l5zN-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 5l5zH-5az4A:
undetectable
5l5zN-5az4A:
undetectable		 5l5zH-5az4A:
16.17
5l5zN-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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 HIS A1925
SER A1928
SER A1871
GLY A1872
ALA A1874
 None
 1.24A 5l5zH-5cslA:
undetectable
5l5zN-5cslA:
undetectable		 5l5zH-5cslA:
8.31
5l5zN-5cslA:
6.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		5 THR A 220
THR A 241
SER A 214
GLY A 215
ALA A 149
 None
 1.27A 5l5zH-5e2eA:
undetectable
5l5zN-5e2eA:
undetectable		 5l5zH-5e2eA:
23.88
5l5zN-5e2eA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		5 THR A 149
THR A 411
SER A 270
GLY A 271
THR A 327
 None
None
None
None
HEM  A 501 (-4.6A)
 1.34A 5l5zH-5e78A:
undetectable
5l5zN-5e78A:
undetectable		 5l5zH-5e78A:
21.13
5l5zN-5e78A:
18.78
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
 0.45A 5l5zH-5fg9H:
36.5
5l5zN-5fg9H:
27.9		 5l5zH-5fg9H:
98.31
5l5zN-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.
5jxl FLAGELLAR HOOK
PROTEIN FLGE

(Campylobacter
jejuni) 		PF00460
(Flg_bb_rod)
PF06429
(Flg_bbr_C)
PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 THR A  31
THR A  86
SER A 116
GLY A 117
ALA A  94
 None
 1.14A 5l5zH-5jxlA:
undetectable
5l5zN-5jxlA:
undetectable		 5l5zH-5jxlA:
15.37
5l5zN-5jxlA:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5l5zH-5l5wK:
27.6
5l5zN-5l5wK:
28.8		 5l5zH-5l5wK:
29.61
5l5zN-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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   2
THR K   1
SER K 173
GLY K 172
ALA K 164
 None
 0.90A 5l5zH-5l5wK:
27.6
5l5zN-5l5wK:
28.8		 5l5zH-5l5wK:
29.61
5l5zN-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 5l5zH-5laeA:
undetectable
5l5zN-5laeA:
undetectable		 5l5zH-5laeA:
18.15
5l5zN-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)
 1.26A 5l5zH-5laeA:
undetectable
5l5zN-5laeA:
undetectable		 5l5zH-5laeA:
18.15
5l5zN-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.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
LYS K  33
SER K  46
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 (-4.2A)
None
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 0.33A 5l5zH-5m2bK:
28.0
5l5zN-5m2bK:
29.0		 5l5zH-5m2bK:
28.33
5l5zN-5m2bK:
29.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   2
THR K   1
SER K 173
GLY K 172
ALA K 164
 None
7DX  K 301 (-3.3A)
None
None
MG  K 302 (-4.8A)
 0.94A 5l5zH-5m2bK:
28.0
5l5zN-5m2bK:
29.0		 5l5zH-5m2bK:
28.33
5l5zN-5m2bK:
29.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 THR A 334
THR A 177
ARG A 447
SER A 340
GLY A 344
 CA  A 813 (-3.6A)
None
None
CA  A 813 (-2.3A)
None
 1.29A 5l5zH-5mfaA:
undetectable
5l5zN-5mfaA:
undetectable		 5l5zH-5mfaA:
16.47
5l5zN-5mfaA:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		5 THR A   1
THR A  20
LYS A  32
GLY A  50
THR A  55
 None
 0.84A 5l5zH-5nyjA:
7.2
5l5zN-5nyjA:
21.7		 5l5zH-5nyjA:
26.89
5l5zN-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.
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 5l5zH-5ovtA:
7.6
5l5zN-5ovtA:
5.8		 5l5zH-5ovtA:
20.34
5l5zN-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
 0.95A 5l5zH-5t0hO:
28.8
5l5zN-5t0hO:
27.7		 5l5zH-5t0hO:
56.17
5l5zN-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
 0.97A 5l5zH-5v1wA:
undetectable
5l5zN-5v1wA:
undetectable		 5l5zH-5v1wA:
15.01
5l5zN-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
 0.60A 5l5zH-5vfrR:
26.0
5l5zN-5vfrR:
28.0		 5l5zH-5vfrR:
undetectable
5l5zN-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.
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
 1.14A 5l5zH-5wgcA:
undetectable
5l5zN-5wgcA:
undetectable		 5l5zH-5wgcA:
17.61
5l5zN-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
 1.16A 5l5zH-5x62A:
undetectable
5l5zN-5x62A:
undetectable		 5l5zH-5x62A:
18.34
5l5zN-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
 1.20A 5l5zH-5xqoA:
undetectable
5l5zN-5xqoA:
undetectable		 5l5zH-5xqoA:
16.52
5l5zN-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 5l5zH-5zovA:
undetectable
5l5zN-5zovA:
undetectable		 5l5zH-5zovA:
undetectable
5l5zN-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 7 HIS B 114
SER B 118
THR A   1
LYS A  33
SER A  46
GLY A  47
ALA A  49
 None
 0.58A 5l5zH-6avoB:
22.0
5l5zN-6avoB:
21.3		 5l5zH-6avoB:
43.40
5l5zN-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.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 5 THR C   1
LYS C  33
SER C  46
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 ( 4.8A)
None
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 0.62A 5l5zH-6avoC:
27.5
5l5zN-6avoC:
29.3		 5l5zH-6avoC:
17.24
5l5zN-6avoC:
21.31
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 THR A 334
THR A 177
ARG A 447
SER A 340
GLY A 344
 CA  A 806 (-3.6A)
None
None
CA  A 806 (-1.9A)
None
 1.32A 5l5zH-6azpA:
undetectable
5l5zN-6azpA:
undetectable		 5l5zH-6azpA:
16.07
5l5zN-6azpA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 THR A 244
THR A 266
SER A 237
GLY A 238
ALA A 172
 3GK  A 302 ( 4.9A)
None
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
None
 1.26A 5l5zH-6bu3A:
undetectable
5l5zN-6bu3A:
undetectable		 5l5zH-6bu3A:
23.08
5l5zN-6bu3A:
17.82
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.
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
 1.19A 5l5zH-6g2jL:
undetectable
5l5zN-6g2jL:
undetectable		 5l5zH-6g2jL:
17.05
5l5zN-6g2jL:
17.02