SIMILAR PATTERNS OF AMINO ACIDS FOR 5LF7_B_6V8B304_0

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
 1.17A 5lf7V-1cemA:
undetectable
5lf7b-1cemA:
undetectable		 5lf7V-1cemA:
22.63
5lf7b-1cemA:
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.
1euz GLUTAMATE
DEHYDROGENASE

(Thermococcus
profundus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A 227
THR A 191
ALA A 195
GLY A 221
ALA A 295
 None
SO4  A 602 (-2.8A)
None
None
None
 1.06A 5lf7V-1euzA:
undetectable
5lf7b-1euzA:
undetectable		 5lf7V-1euzA:
20.14
5lf7b-1euzA:
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.
1f0i PHOSPHOLIPASE D

(Streptomyces
sp. PMF) 		PF13091
(PLDc_2) 		5 TYR A 476
THR A 208
ALA A 212
LYS A  73
GLY A  40
 None
 1.17A 5lf7V-1f0iA:
undetectable
5lf7b-1f0iA:
undetectable		 5lf7V-1f0iA:
19.80
5lf7b-1f0iA:
17.07
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.
1f7c RHOGAP PROTEIN

(Gallus gallus) 		PF00620
(RhoGAP) 		5 THR A 258
THR A 256
ALA A 260
GLY A 212
ALA A 207
 None
 1.04A 5lf7V-1f7cA:
undetectable
5lf7b-1f7cA:
undetectable		 5lf7V-1f7cA:
22.69
5lf7b-1f7cA:
22.31
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.
1idj PECTIN LYASE A

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		5 THR A 170
THR A 171
THR A 143
ALA A 141
GLY A 198
 None
 1.09A 5lf7V-1idjA:
undetectable
5lf7b-1idjA:
undetectable		 5lf7V-1idjA:
23.94
5lf7b-1idjA:
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.47A 5lf7V-1j2qH:
30.5
5lf7b-1j2qH:
29.1		 5lf7V-1j2qH:
30.00
5lf7b-1j2qH:
30.05
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 THR A 582
THR A 583
THR A 394
ALA A 584
GLY A 398
 None
 1.18A 5lf7V-1kcwA:
undetectable
5lf7b-1kcwA:
undetectable		 5lf7V-1kcwA:
13.15
5lf7b-1kcwA:
12.10
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 THR A 403
THR A 404
THR A 405
ALA A 223
GLY A 433
 None
 0.85A 5lf7V-1kqfA:
undetectable
5lf7b-1kqfA:
undetectable		 5lf7V-1kqfA:
12.29
5lf7b-1kqfA:
11.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n3p LECTIN PAL

(Pterocarpus
angolensis) 		PF00139
(Lectin_legB) 		5 THR A  46
ALA A  44
GLY A  87
ALA A  85
THR A 131
 None
None
None
GLC  A 253 ( 3.7A)
None
 1.07A 5lf7V-1n3pA:
undetectable
5lf7b-1n3pA:
undetectable		 5lf7V-1n3pA:
21.24
5lf7b-1n3pA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5lf7V-1nbwA:
undetectable
5lf7b-1nbwA:
undetectable		 5lf7V-1nbwA:
17.58
5lf7b-1nbwA:
17.09
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.
1nr0 ACTIN INTERACTING
PROTEIN 1

(Caenorhabditis
elegans) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 TYR A 437
THR A 371
THR A 383
GLY A 416
ALA A 428
 None
 1.07A 5lf7V-1nr0A:
undetectable
5lf7b-1nr0A:
undetectable		 5lf7V-1nr0A:
17.88
5lf7b-1nr0A:
15.80
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.70A 5lf7V-1q5qH:
26.4
5lf7b-1q5qH:
26.5		 5lf7V-1q5qH:
26.72
5lf7b-1q5qH:
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.
1tdf THIOREDOXIN
REDUCTASE

(Escherichia
coli) 		PF07992
(Pyr_redox_2) 		5 THR A 301
ALA A 305
SER A  13
GLY A  14
ALA A 111
 None
None
FAD  A 500 (-2.9A)
FAD  A 500 (-3.3A)
FAD  A 500 (-4.9A)
 1.20A 5lf7V-1tdfA:
undetectable
5lf7b-1tdfA:
undetectable		 5lf7V-1tdfA:
20.85
5lf7b-1tdfA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 THR A 474
THR A 472
ALA A 473
SER A 440
GLY A 441
 None
2MD  A 799 (-4.0A)
None
2MD  A 799 ( 4.4A)
2MD  A 799 (-3.7A)
 1.13A 5lf7V-1tmoA:
undetectable
5lf7b-1tmoA:
undetectable		 5lf7V-1tmoA:
14.23
5lf7b-1tmoA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 TYR A 496
THR A 487
THR A  12
ALA A  18
GLY A 122
 None
 1.06A 5lf7V-1tmoA:
undetectable
5lf7b-1tmoA:
undetectable		 5lf7V-1tmoA:
14.23
5lf7b-1tmoA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 5lf7V-1xkwA:
undetectable
5lf7b-1xkwA:
undetectable		 5lf7V-1xkwA:
15.44
5lf7b-1xkwA:
14.89
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.
2a5y APOPTOSIS REGULATOR
CED-9

(Caenorhabditis
elegans) 		PF00452
(Bcl-2)
PF02180
(BH4) 		5 THR A 202
THR A  89
ALA A 102
GLY A 178
ALA A 182
 None
 1.17A 5lf7V-2a5yA:
undetectable
5lf7b-2a5yA:
undetectable		 5lf7V-2a5yA:
19.11
5lf7b-2a5yA:
19.74
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.
2af5 ENGINEERED OUTER
SURFACE PROTEIN A
(OSPA) WITH THE
INSERTED TWO
BETA-HAIRPINS

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		6 THR A 218
THR A 222
THR A 223
SER A 201
GLY A 202
ALA A 204
 None
 1.49A 5lf7V-2af5A:
2.1
5lf7b-2af5A:
undetectable		 5lf7V-2af5A:
21.74
5lf7b-2af5A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 THR A  48
THR A  45
ALA A  49
SER A  80
GLY A  78
 None
 1.20A 5lf7V-2ahwA:
undetectable
5lf7b-2ahwA:
undetectable		 5lf7V-2ahwA:
19.17
5lf7b-2ahwA:
18.11
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 THR A 141
THR A 145
ALA A 148
GLY A 246
ALA A  73
 None
 1.15A 5lf7V-2cfzA:
undetectable
5lf7b-2cfzA:
undetectable		 5lf7V-2cfzA:
17.27
5lf7b-2cfzA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d7d UVRABC SYSTEM
PROTEIN B

(Bacillus
subtilis) 		PF00271
(Helicase_C)
PF02151
(UVR)
PF04851
(ResIII)
PF12344
(UvrB) 		5 TYR A 552
THR A 451
ALA A 518
SER A 530
ALA A 522
 None
 1.19A 5lf7V-2d7dA:
undetectable
5lf7b-2d7dA:
undetectable		 5lf7V-2d7dA:
17.83
5lf7b-2d7dA:
15.63
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 THR A 331
ALA A 272
SER A 327
GLY A 328
THR A 633
 None
GOL  A 778 ( 4.2A)
None
None
None
 1.17A 5lf7V-2f3oA:
undetectable
5lf7b-2f3oA:
undetectable		 5lf7V-2f3oA:
17.25
5lf7b-2f3oA:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.60A 5lf7V-2fhgH:
25.6
5lf7b-2fhgH:
25.6		 5lf7V-2fhgH:
22.92
5lf7b-2fhgH:
26.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iph THIOL PROTEASE P3C

(Norwalk virus) 		PF05416
(Peptidase_C37) 		5 THR A1028
THR A1027
THR A1056
GLY A1155
ALA A1170
 None
 1.16A 5lf7V-2iphA:
undetectable
5lf7b-2iphA:
undetectable		 5lf7V-2iphA:
22.41
5lf7b-2iphA:
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 THR X 130
THR X 105
THR X 106
ALA X 398
GLY X 380
 None
 1.11A 5lf7V-2iv2X:
undetectable
5lf7b-2iv2X:
undetectable		 5lf7V-2iv2X:
16.42
5lf7b-2iv2X:
14.19
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.
2ol8 OUTER SURFACE
PROTEIN A

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		6 THR O 170
THR O 174
THR O 175
SER O 153
GLY O 154
ALA O 156
 None
 1.42A 5lf7V-2ol8O:
3.0
5lf7b-2ol8O:
undetectable		 5lf7V-2ol8O:
22.81
5lf7b-2ol8O:
24.06
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.
2qr4 PEPTIDASE M3B,
OLIGOENDOPEPTIDASE F

(Enterococcus
faecium) 		PF01432
(Peptidase_M3)
PF08439
(Peptidase_M3_N) 		5 TYR A 555
THR A 423
THR A 424
ALA A 421
SER A 528
 None
 1.15A 5lf7V-2qr4A:
2.7
5lf7b-2qr4A:
undetectable		 5lf7V-2qr4A:
17.61
5lf7b-2qr4A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 TYR A 666
THR A 627
THR A 628
ALA A 610
GLY A 758
 None
 0.86A 5lf7V-2vsqA:
undetectable
5lf7b-2vsqA:
undetectable		 5lf7V-2vsqA:
10.60
5lf7b-2vsqA:
10.10
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 THR A  97
ALA A  98
SER A  94
GLY A  93
THR A  73
 None
 1.20A 5lf7V-2wk2A:
undetectable
5lf7b-2wk2A:
undetectable		 5lf7V-2wk2A:
18.57
5lf7b-2wk2A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 THR A 155
THR A 154
ALA A 156
GLY A 240
ALA A 238
 None
 0.95A 5lf7V-2xtsA:
undetectable
5lf7b-2xtsA:
undetectable		 5lf7V-2xtsA:
21.47
5lf7b-2xtsA:
18.94
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 THR A 100
THR A  28
THR A  29
ALA A  32
SER A  95
 None
 1.05A 5lf7V-2z0jA:
undetectable
5lf7b-2z0jA:
undetectable		 5lf7V-2z0jA:
22.43
5lf7b-2z0jA:
23.69
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		5 THR A 281
THR A 282
ALA A 280
GLY A 247
THR A 195
 None
 0.79A 5lf7V-3alfA:
undetectable
5lf7b-3alfA:
undetectable		 5lf7V-3alfA:
23.97
5lf7b-3alfA:
20.34
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.
3anv D-SERINE DEHYDRATASE

(Gallus gallus) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 THR A 197
THR A 195
ALA A 199
GLY A 220
ALA A 175
 None
 1.13A 5lf7V-3anvA:
undetectable
5lf7b-3anvA:
undetectable		 5lf7V-3anvA:
20.38
5lf7b-3anvA:
19.41
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.
3bvh FIBRINOGEN GAMMA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 THR C 374
ALA C 370
SER C 355
ALA C 364
THR C 359
 None
 1.18A 5lf7V-3bvhC:
undetectable
5lf7b-3bvhC:
undetectable		 5lf7V-3bvhC:
22.08
5lf7b-3bvhC:
19.60
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 TYR A 569
THR A 550
THR A 549
ALA A 554
GLY A 495
 None
 1.12A 5lf7V-3cf4A:
2.7
5lf7b-3cf4A:
undetectable		 5lf7V-3cf4A:
15.08
5lf7b-3cf4A:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eex OUTER SURFACE
PROTEIN A

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		5 THR A 245
THR A 246
SER A 224
GLY A 225
ALA A 227
 None
 1.21A 5lf7V-3eexA:
undetectable
5lf7b-3eexA:
undetectable		 5lf7V-3eexA:
21.56
5lf7b-3eexA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 THR A 287
THR A 288
ALA A 300
SER A 283
GLY A 284
 None
 1.21A 5lf7V-3g25A:
undetectable
5lf7b-3g25A:
undetectable		 5lf7V-3g25A:
20.86
5lf7b-3g25A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 THR A 109
THR A 108
ALA A 128
SER A  56
GLY A  55
 None
 1.15A 5lf7V-3hj6A:
undetectable
5lf7b-3hj6A:
undetectable		 5lf7V-3hj6A:
21.22
5lf7b-3hj6A:
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT

(Eubacterium
barkeri;
Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF00111
(Fer2)
PF01799
(Fer2_2) 		5 THR A 234
THR A 235
ALA A 233
ARG D  30
SER D  37
 None
 1.18A 5lf7V-3hrdA:
undetectable
5lf7b-3hrdA:
undetectable		 5lf7V-3hrdA:
20.68
5lf7b-3hrdA:
20.67
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.
3isl PURINE CATABOLISM
PROTEIN PUCG

(Bacillus
subtilis) 		PF00266
(Aminotran_5) 		5 ALA A  79
SER A 206
GLY A 207
ALA A 209
THR A 198
 None
 1.20A 5lf7V-3islA:
undetectable
5lf7b-3islA:
undetectable		 5lf7V-3islA:
19.81
5lf7b-3islA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3la9 HAEMAGGLUTININ
FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 THR A  55
THR A  45
THR A  46
ALA A  54
GLY A  28
 None
 1.21A 5lf7V-3la9A:
undetectable
5lf7b-3la9A:
undetectable		 5lf7V-3la9A:
20.85
5lf7b-3la9A:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lr1 TUNGSTATE ABC
TRANSPORTER,
PERIPLASMIC
TUNGSTATE-BINDING
PROTEIN

(Geobacter
sulfurreducens) 		PF12849
(PBP_like_2) 		5 THR A   9
THR A   8
ALA A  43
ARG A 118
THR A 124
 W  A 234 ( 4.0A)
None
None
W  A 234 ( 3.9A)
None
 1.20A 5lf7V-3lr1A:
undetectable
5lf7b-3lr1A:
undetectable		 5lf7V-3lr1A:
21.54
5lf7b-3lr1A:
19.83
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.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 THR A 116
ALA A 131
GLY A 124
ALA A 151
THR A 388
 None
 1.16A 5lf7V-3m6xA:
undetectable
5lf7b-3m6xA:
undetectable		 5lf7V-3m6xA:
20.48
5lf7b-3m6xA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 11 THR N   1
THR N  20
THR N  21
THR N  22
ALA N  27
LYS N  33
ARG N  45
SER N  46
GLY N  47
ALA N  49
THR N  52
 None
 0.56A 5lf7V-3mg6N:
30.7
5lf7b-3mg6N:
34.2		 5lf7V-3mg6N:
30.57
5lf7b-3mg6N:
53.11
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.
3nqi PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		no annotation 5 THR A 118
THR A 119
SER A 114
GLY A 115
THR A 108
 None
 0.98A 5lf7V-3nqiA:
undetectable
5lf7b-3nqiA:
undetectable		 5lf7V-3nqiA:
23.81
5lf7b-3nqiA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 THR B  45
THR B  21
THR B 135
ALA B  24
GLY B  40
 None
 1.19A 5lf7V-3pdiB:
undetectable
5lf7b-3pdiB:
undetectable		 5lf7V-3pdiB:
22.01
5lf7b-3pdiB:
18.78
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) 		7 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.54A 5lf7V-3unfH:
37.4
5lf7b-3unfH:
30.8		 5lf7V-3unfH:
57.69
5lf7b-3unfH:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.20A 5lf7V-3vtiC:
undetectable
5lf7b-3vtiC:
undetectable		 5lf7V-3vtiC:
21.82
5lf7b-3vtiC:
21.30
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
ALA L  27
LYS L  33
GLY L  47
ALA L  49
 None
 0.78A 5lf7V-3wxrL:
29.8
5lf7b-3wxrL:
28.5		 5lf7V-3wxrL:
28.09
5lf7b-3wxrL:
25.94
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.
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 5lf7V-3wxrL:
29.8
5lf7b-3wxrL:
28.5		 5lf7V-3wxrL:
28.09
5lf7b-3wxrL:
25.94
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 THR A 141
THR A 140
ALA A 176
GLY A 369
THR A 205
 None
 1.10A 5lf7V-3zq4A:
undetectable
5lf7b-3zq4A:
undetectable		 5lf7V-3zq4A:
19.27
5lf7b-3zq4A:
16.57
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 THR A 273
THR A 272
THR A 271
ALA A 276
THR A  94
 None
 1.03A 5lf7V-4b90A:
undetectable
5lf7b-4b90A:
undetectable		 5lf7V-4b90A:
18.91
5lf7b-4b90A:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 THR A 273
THR A 272
THR A 271
ALA A 276
THR A  94
 None
 1.06A 5lf7V-4b92A:
undetectable
5lf7b-4b92A:
undetectable		 5lf7V-4b92A:
19.92
5lf7b-4b92A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4df9 PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		5 THR A 299
THR A 298
ALA A 300
SER A 232
THR A 242
 None
 1.20A 5lf7V-4df9A:
undetectable
5lf7b-4df9A:
undetectable		 5lf7V-4df9A:
19.80
5lf7b-4df9A:
17.14
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.
4dng UNCHARACTERIZED
ALDEHYDE
DEHYDROGENASE ALDY

(Bacillus
subtilis) 		PF00171
(Aldedh) 		5 THR A 188
THR A 209
ALA A  41
ALA A  38
THR A  36
 None
 1.18A 5lf7V-4dngA:
undetectable
5lf7b-4dngA:
undetectable		 5lf7V-4dngA:
19.69
5lf7b-4dngA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 THR A  33
THR A 158
THR A 159
ALA A 200
GLY A 135
 None
 0.95A 5lf7V-4dqxA:
undetectable
5lf7b-4dqxA:
undetectable		 5lf7V-4dqxA:
20.85
5lf7b-4dqxA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewc PUTATIVE
NUCLEOPROTEIN

(Salmon isavirus) 		no annotation 5 THR A 286
THR A 285
ALA A 288
SER A 449
ALA A 446
 None
 1.10A 5lf7V-4ewcA:
undetectable
5lf7b-4ewcA:
undetectable		 5lf7V-4ewcA:
18.57
5lf7b-4ewcA:
15.49
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.
4f9o HEXOKINASE-1

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		6 THR A 153
THR A 457
ALA A 460
SER A 449
GLY A 450
THR A 216
 0NZ  A1002 ( 4.6A)
None
None
0NZ  A1002 (-2.8A)
None
None
 1.49A 5lf7V-4f9oA:
undetectable
5lf7b-4f9oA:
undetectable		 5lf7V-4f9oA:
13.99
5lf7b-4f9oA:
12.96
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A  98
THR A  33
THR A  32
GLY A  47
ALA A 102
 None
 1.12A 5lf7V-4h2hA:
undetectable
5lf7b-4h2hA:
undetectable		 5lf7V-4h2hA:
20.83
5lf7b-4h2hA:
22.49
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.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
ALA A  28
LYS A  34
GLY A  48
 None
 0.75A 5lf7V-4ho7A:
21.6
5lf7b-4ho7A:
19.8		 5lf7V-4ho7A:
23.48
5lf7b-4ho7A:
26.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A  99
THR A  33
THR A  32
GLY A  47
ALA A 103
 None
 1.13A 5lf7V-4izgA:
undetectable
5lf7b-4izgA:
undetectable		 5lf7V-4izgA:
21.94
5lf7b-4izgA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3g IMMUNOGLOBULIN
LAMBDA VARIABLE
DOMAIN L5(L89S)

(Homo sapiens) 		PF07686
(V-set) 		5 THR A 102
THR A  22
THR A  74
ALA A  72
SER A   9
 None
 1.19A 5lf7V-4k3gA:
2.7
5lf7b-4k3gA:
undetectable		 5lf7V-4k3gA:
21.43
5lf7b-4k3gA:
20.00
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.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		5 TYR A  75
THR A  40
THR A  39
ALA A  37
THR A  66
 None
 1.03A 5lf7V-4pspA:
undetectable
5lf7b-4pspA:
undetectable		 5lf7V-4pspA:
18.48
5lf7b-4pspA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
THR K  21
ALA K  27
LYS K  33
GLY K  47
ALA K  49
 None
 0.75A 5lf7V-4qv9K:
30.2
5lf7b-4qv9K:
28.7		 5lf7V-4qv9K:
28.09
5lf7b-4qv9K:
25.94
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.
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
 0.97A 5lf7V-4qv9K:
30.2
5lf7b-4qv9K:
28.7		 5lf7V-4qv9K:
28.09
5lf7b-4qv9K:
25.94
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.
4tsk KETOL-ACID
REDUCTOISOMERASE

(Alicyclobacillus
acidocaldarius) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 THR A 180
THR A 181
ALA A 151
GLY A 177
ALA A 148
 None
 0.85A 5lf7V-4tskA:
undetectable
5lf7b-4tskA:
undetectable		 5lf7V-4tskA:
21.61
5lf7b-4tskA:
20.75
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.
4u8h CRYPTOCHROME-2
PERIOD CIRCADIAN
PROTEIN HOMOLOG 2

(Mus musculus;
Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7)
PF12114
(Period_C) 		5 THR A 353
THR B1145
ALA B1143
GLY A 351
ALA A 349
 None
 1.15A 5lf7V-4u8hA:
undetectable
5lf7b-4u8hA:
undetectable		 5lf7V-4u8hA:
17.35
5lf7b-4u8hA:
18.51
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.
4xqe HOMOSPERMIDINE
SYNTHASE

(Blastochloris
viridis) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 THR A 248
ARG A 139
SER A 299
GLY A 245
ALA A 266
 None
AG2  A 506 ( 4.2A)
None
None
None
 1.19A 5lf7V-4xqeA:
undetectable
5lf7b-4xqeA:
undetectable		 5lf7V-4xqeA:
18.47
5lf7b-4xqeA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 THR A 417
THR A 416
THR A 415
ALA A 399
GLY A 145
 NA  A 601 ( 4.7A)
None
None
None
None
 1.09A 5lf7V-4y23A:
2.8
5lf7b-4y23A:
undetectable		 5lf7V-4y23A:
18.24
5lf7b-4y23A:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 5lf7V-5az4A:
undetectable
5lf7b-5az4A:
undetectable		 5lf7V-5az4A:
14.89
5lf7b-5az4A:
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.
5crv TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 23

(Homo sapiens) 		PF03097
(BRO1) 		5 TYR A 247
THR A 293
ALA A 297
GLY A 289
ALA A 287
 None
 1.13A 5lf7V-5crvA:
undetectable
5lf7b-5crvA:
undetectable		 5lf7V-5crvA:
20.00
5lf7b-5crvA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 THR A 188
THR A  66
THR A  65
ALA A  92
ALA A  68
 None
 1.10A 5lf7V-5e7pA:
undetectable
5lf7b-5e7pA:
undetectable		 5lf7V-5e7pA:
15.71
5lf7b-5e7pA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 THR A 135
THR A 134
THR A 133
ALA A 138
ALA A 161
 None
 1.09A 5lf7V-5ey8A:
undetectable
5lf7b-5ey8A:
undetectable		 5lf7V-5ey8A:
16.67
5lf7b-5ey8A:
16.56
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) 		7 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
THR H  52
 None
 0.48A 5lf7V-5fg9H:
34.1
5lf7b-5fg9H:
28.2		 5lf7V-5fg9H:
55.23
5lf7b-5fg9H:
28.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
ALA I  27
LYS I  33
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.98A 5lf7V-5fmgI:
31.2
5lf7b-5fmgI:
28.6		 5lf7V-5fmgI:
54.27
5lf7b-5fmgI:
28.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
THR I  21
ALA I  27
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.65A 5lf7V-5fmgI:
31.2
5lf7b-5fmgI:
28.6		 5lf7V-5fmgI:
54.27
5lf7b-5fmgI:
28.33
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 THR A 275
THR A 276
ALA A 269
GLY A 295
THR A 322
 None
 0.98A 5lf7V-5keiA:
undetectable
5lf7b-5keiA:
undetectable		 5lf7V-5keiA:
18.46
5lf7b-5keiA:
17.30
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		5 THR K   1
THR K  21
ALA K  27
LYS K  33
GLY K  47
 None
 0.65A 5lf7V-5l5wK:
30.0
5lf7b-5l5wK:
28.6		 5lf7V-5l5wK:
27.35
5lf7b-5l5wK:
29.91
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		6 TYR K 134
THR K   2
THR K   1
SER K 173
GLY K 172
ALA K 164
 None
 1.28A 5lf7V-5l5wK:
30.0
5lf7b-5l5wK:
28.6		 5lf7V-5l5wK:
27.35
5lf7b-5l5wK:
29.91
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.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		5 THR K   1
ALA K  28
SER K  46
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.6A)
None
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 0.86A 5lf7V-5m2bK:
30.5
5lf7b-5m2bK:
28.9		 5lf7V-5m2bK:
26.07
5lf7b-5m2bK:
29.11
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.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		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)
 0.43A 5lf7V-5m2bK:
30.5
5lf7b-5m2bK:
28.9		 5lf7V-5m2bK:
26.07
5lf7b-5m2bK:
29.11
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.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		6 TYR K 134
THR K   2
THR K   1
SER K 173
GLY K 172
ALA K 164
 None
None
7DX  K 301 (-3.3A)
None
None
MG  K 302 (-4.8A)
 1.32A 5lf7V-5m2bK:
30.5
5lf7b-5m2bK:
28.9		 5lf7V-5m2bK:
26.07
5lf7b-5m2bK:
29.11
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.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe) 		no annotation 5 THR A  23
ALA A  19
ARG A 317
ALA A 234
THR A 238
 None
 1.04A 5lf7V-5mjsA:
undetectable
5lf7b-5mjsA:
undetectable		 5lf7V-5mjsA:
undetectable
5lf7b-5mjsA:
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.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		5 THR A   1
THR A  20
LYS A  32
GLY A  50
THR A  55
 None
 0.86A 5lf7V-5nyjA:
20.5
5lf7b-5nyjA:
21.5		 5lf7V-5nyjA:
26.12
5lf7b-5nyjA:
26.46
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.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		5 THR A  20
ALA A  28
LYS A  32
GLY A  50
THR A  55
 None
 1.06A 5lf7V-5nyjA:
20.5
5lf7b-5nyjA:
21.5		 5lf7V-5nyjA:
26.12
5lf7b-5nyjA:
26.46
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF01058
(Oxidored_q6) 		5 THR E  84
THR E 288
ALA E 292
SER E 239
THR E 220
 SF4  E 302 (-4.6A)
None
None
SF4  E 303 (-3.4A)
SF4  E 303 (-4.4A)
 1.20A 5lf7V-5odrE:
undetectable
5lf7b-5odrE:
undetectable		 5lf7V-5odrE:
20.06
5lf7b-5odrE:
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.
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
 0.43A 5lf7V-5ovtA:
19.5
5lf7b-5ovtA:
17.1		 5lf7V-5ovtA:
undetectable
5lf7b-5ovtA:
undetectable
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 5lf7V-5t0hO:
31.0
5lf7b-5t0hO:
27.2		 5lf7V-5t0hO:
100.00
5lf7b-5t0hO:
27.66
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 6 THR R   1
THR R  21
ALA R  27
LYS R  33
GLY R  47
ALA R  49
 None
 0.76A 5lf7V-5vfrR:
28.3
5lf7b-5vfrR:
27.1		 5lf7V-5vfrR:
undetectable
5lf7b-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.
5w3l VIRAL PROTEIN 3
C5 ANTIBODY VARIABLE
LIGHT DOMAIN

(Rhinovirus B;
Mus musculus) 		PF00073
(Rhv)
PF07686
(V-set) 		5 THR G  94
THR B 202
THR B 201
ARG B  75
ALA B  73
 None
 1.16A 5lf7V-5w3lG:
undetectable
5lf7b-5w3lG:
undetectable		 5lf7V-5w3lG:
23.83
5lf7b-5w3lG:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL

(Homo sapiens) 		PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 TYR M 656
THR M 606
THR M 595
SER M 259
GLY M 258
 None
 1.01A 5lf7V-5xtbM:
undetectable
5lf7b-5xtbM:
undetectable		 5lf7V-5xtbM:
18.57
5lf7b-5xtbM:
16.82
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.
5z9a CHORISMATE SYNTHASE

(Pseudomonas
aeruginosa) 		no annotation 5 THR A  14
THR A  13
ALA A  25
SER A   2
GLY A   3
 None
 0.88A 5lf7V-5z9aA:
undetectable
5lf7b-5z9aA:
undetectable		 5lf7V-5z9aA:
undetectable
5lf7b-5z9aA:
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 THR B   1
THR B  21
ALA B  27
LYS B  33
GLY B  47
 None
 0.75A 5lf7V-6avoB:
22.0
5lf7b-6avoB:
21.5		 5lf7V-6avoB:
undetectable
5lf7b-6avoB:
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 THR B  21
ALA B  27
LYS B  33
GLY B  47
ALA B  49
 None
 0.70A 5lf7V-6avoB:
22.0
5lf7b-6avoB:
21.5		 5lf7V-6avoB:
undetectable
5lf7b-6avoB:
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 5 THR C   1
ALA C  28
SER C  46
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.4A)
None
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 1.02A 5lf7V-6avoC:
30.1
5lf7b-6avoC:
28.8		 5lf7V-6avoC:
undetectable
5lf7b-6avoC:
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.
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)
 0.68A 5lf7V-6avoC:
30.1
5lf7b-6avoC:
28.8		 5lf7V-6avoC:
undetectable
5lf7b-6avoC:
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 5 THR A   1
LYS A  33
SER A  46
GLY A  47
ALA A  49
 None
 0.64A 5lf7V-6avoA:
26.5
5lf7b-6avoA:
26.2		 5lf7V-6avoA:
undetectable
5lf7b-6avoA:
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.
6cv0 SPIKE GLYCOPROTEIN

(Avian
coronavirus) 		no annotation 5 THR A 154
ALA A 100
SER A  88
GLY A  89
ALA A  85
 None
 1.16A 5lf7V-6cv0A:
undetectable
5lf7b-6cv0A:
undetectable		 5lf7V-6cv0A:
undetectable
5lf7b-6cv0A:
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1

(Homo sapiens) 		no annotation 5 TYR A1407
THR A1424
THR A1425
ALA A1419
THR A1355
 None
 1.18A 5lf7V-6f9nA:
undetectable
5lf7b-6f9nA:
undetectable		 5lf7V-6f9nA:
undetectable
5lf7b-6f9nA:
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.
6fnu METHYLENETETRAHYDROF
OLATE REDUCTASE 1

(Saccharomyces
cerevisiae) 		no annotation 5 THR A  80
THR A  84
GLY A  51
ALA A  57
THR A  60
 FAD  A 701 ( 4.3A)
None
FAD  A 701 ( 4.9A)
None
None
 1.16A 5lf7V-6fnuA:
undetectable
5lf7b-6fnuA:
undetectable		 5lf7V-6fnuA:
undetectable
5lf7b-6fnuA:
undetectable