SIMILAR PATTERNS OF AMINO ACIDS FOR 5LF7_V_6V8V303_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.
1bvu PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermococcus
litoralis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A 197
ALA A 379
ALA A 194
GLY A 193
ALA A 344
 None
 1.12A 5lf7V-1bvuA:
undetectable
5lf7W-1bvuA:
undetectable		 5lf7V-1bvuA:
20.43
5lf7W-1bvuA:
20.10
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.
1euz GLUTAMATE
DEHYDROGENASE

(Thermococcus
profundus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A 198
ALA A 380
ALA A 195
GLY A 194
ALA A 345
 None
 1.09A 5lf7V-1euzA:
undetectable
5lf7W-1euzA:
undetectable		 5lf7V-1euzA:
20.14
5lf7W-1euzA:
18.66
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
ALA H  20
THR H  21
ALA H  46
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 ( 4.7A)
CIB  H1001 (-4.4A)
 0.30A 5lf7V-1j2qH:
30.5
5lf7W-1j2qH:
28.4		 5lf7V-1j2qH:
30.00
5lf7W-1j2qH:
28.11
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		5 THR A 289
ALA A 353
GLY A 335
ALA A 337
LEU A 242
 None
 1.08A 5lf7V-1kh2A:
undetectable
5lf7W-1kh2A:
undetectable		 5lf7V-1kh2A:
19.51
5lf7W-1kh2A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 312
THR A 313
ALA A 186
GLY A 183
ALA A 155
 None
 0.98A 5lf7V-1lluA:
undetectable
5lf7W-1lluA:
undetectable		 5lf7V-1lluA:
21.10
5lf7W-1lluA:
21.18
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.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A 174
GLY A 167
THR A 228
ASP A 142
LEU A 141
 None
 1.11A 5lf7V-1ml4A:
undetectable
5lf7W-1ml4A:
undetectable		 5lf7V-1ml4A:
23.64
5lf7W-1ml4A:
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.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ALA A 309
THR A 310
GLY A 490
ASP A 316
LEU A 320
 None
None
None
None
TP7  A9000 (-4.2A)
 1.03A 5lf7V-1mroA:
2.1
5lf7W-1mroA:
undetectable		 5lf7V-1mroA:
18.23
5lf7W-1mroA:
16.24
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
ALA H  20
THR H  21
ALA H  46
GLY H  47
ALA H  49
 None
 0.44A 5lf7V-1q5qH:
26.4
5lf7W-1q5qH:
24.7		 5lf7V-1q5qH:
26.72
5lf7W-1q5qH:
24.60
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  46
GLY H  47
ALA H  49
 None
 0.30A 5lf7V-1q5rH:
24.5
5lf7W-1q5rH:
23.4		 5lf7V-1q5rH:
26.32
5lf7W-1q5rH:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wr8 PHOSPHOGLYCOLATE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		5 THR A  13
GLY A 216
ALA A 220
THR A 209
LEU A 231
 None
 0.95A 5lf7V-1wr8A:
undetectable
5lf7W-1wr8A:
undetectable		 5lf7V-1wr8A:
22.18
5lf7W-1wr8A:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		5 CYH A  53
ALA A  17
GLY A  15
ALA A  10
LEU A  76
 None
 1.11A 5lf7V-2bd0A:
undetectable
5lf7W-2bd0A:
undetectable		 5lf7V-2bd0A:
21.30
5lf7W-2bd0A:
21.69
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.
2be7 ASPARTATE
CARBAMOYLTRANSFERASE
CATALYTIC CHAIN

(Moritella
profunda) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A 173
GLY A 166
THR A 228
ASP A 141
LEU A 140
 None
 1.08A 5lf7V-2be7A:
undetectable
5lf7W-2be7A:
undetectable		 5lf7V-2be7A:
23.67
5lf7W-2be7A:
19.88
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.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 304
THR A 305
GLU A 306
ALA A 297
THR A 133
 None
 1.02A 5lf7V-2f00A:
undetectable
5lf7W-2f00A:
undetectable		 5lf7V-2f00A:
20.56
5lf7W-2f00A:
17.61
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
THR H 321
ALA H 346
GLY H 347
ALA H 349
 None
 0.45A 5lf7V-2fhgH:
25.6
5lf7W-2fhgH:
24.1		 5lf7V-2fhgH:
22.92
5lf7W-2fhgH:
23.90
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.
2i5i UPF0249 PROTEIN
EF_3048

(Enterococcus
faecalis) 		PF04794
(YdjC) 		6 ALA A  10
THR A  35
CYH A 212
ALA A 215
GLY A  22
ALA A  26
 None
 1.08A 5lf7V-2i5iA:
undetectable
5lf7W-2i5iA:
undetectable		 5lf7V-2i5iA:
22.39
5lf7W-2i5iA:
22.58
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.
2ibu ACETYL-COA
ACETYLTRANSFERASE

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A  47
THR A  48
GLU A 234
ALA A 150
GLY A 151
 None
 1.11A 5lf7V-2ibuA:
undetectable
5lf7W-2ibuA:
undetectable		 5lf7V-2ibuA:
18.09
5lf7W-2ibuA:
18.89
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.
2l6p PHAC1, PHAC2 AND
PHAD GENES

(Pseudomonas
aeruginosa) 		PF06155
(DUF971) 		5 ALA A  92
THR A  93
GLU A  90
GLY A  22
ASP A  86
 None
 1.11A 5lf7V-2l6pA:
undetectable
5lf7W-2l6pA:
undetectable		 5lf7V-2l6pA:
17.98
5lf7W-2l6pA:
19.51
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.
2pe4 HYALURONIDASE-1

(Homo sapiens) 		PF01630
(Glyco_hydro_56) 		5 ALA A 355
ALA A 316
GLY A 317
ALA A 311
LEU A 303
 None
 1.11A 5lf7V-2pe4A:
undetectable
5lf7W-2pe4A:
undetectable		 5lf7V-2pe4A:
20.39
5lf7W-2pe4A:
16.11
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.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 552
CYH A 482
ALA A 559
GLY A 558
ASP A 465
 None
 1.06A 5lf7V-2v6oA:
undetectable
5lf7W-2v6oA:
undetectable		 5lf7V-2v6oA:
19.49
5lf7W-2v6oA:
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.
2ysz AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER 2
AND AMYLOID BETA A4
PROTEIN

(Mus musculus) 		PF00640
(PID)
PF10515
(APP_amyloid) 		5 ALA A  40
GLY A  91
ALA A  98
THR A  96
LEU A  85
 None
 1.10A 5lf7V-2yszA:
undetectable
5lf7W-2yszA:
undetectable		 5lf7V-2yszA:
22.22
5lf7W-2yszA:
16.11
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 193
ALA A 191
CYH A 164
ALA A 172
LEU A 184
 None
 1.12A 5lf7V-3e9yA:
undetectable
5lf7W-3e9yA:
undetectable		 5lf7V-3e9yA:
18.45
5lf7W-3e9yA:
17.47
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.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 ALA A  18
ALA A  13
GLY A  12
ASP A 228
LEU A 231
 ZN  A 300 ( 4.6A)
MLT  A 500 ( 3.8A)
None
None
None
 1.13A 5lf7V-3g1pA:
undetectable
5lf7W-3g1pA:
undetectable		 5lf7V-3g1pA:
20.46
5lf7W-3g1pA:
21.67
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ALA A 216
ALA A 274
GLY A 273
ALA A 269
LEU A 142
 None
 0.98A 5lf7V-3go7A:
undetectable
5lf7W-3go7A:
undetectable		 5lf7V-3go7A:
20.43
5lf7W-3go7A:
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ALA A 216
THR A 210
ALA A 274
GLY A 273
ALA A 269
 None
 1.07A 5lf7V-3go7A:
undetectable
5lf7W-3go7A:
undetectable		 5lf7V-3go7A:
20.43
5lf7W-3go7A:
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.
3hu5 ISOCHORISMATASE
FAMILY PROTEIN

(Desulfovibrio
vulgaris) 		PF00857
(Isochorismatase) 		5 THR A  35
GLU A 170
ALA A  32
GLY A  31
ALA A 163
 None
 1.12A 5lf7V-3hu5A:
undetectable
5lf7W-3hu5A:
undetectable		 5lf7V-3hu5A:
21.48
5lf7W-3hu5A:
24.22
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.
3ik4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Herpetosiphon
aurantiacus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 231
GLY A 260
ALA A 262
THR A 234
LEU A 291
 None
 0.98A 5lf7V-3ik4A:
undetectable
5lf7W-3ik4A:
2.0		 5lf7V-3ik4A:
21.02
5lf7W-3ik4A:
19.53
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.
3j0l RIBOSOMAL PROTEIN
S14

(Oryctolagus
cuniculus) 		PF00411
(Ribosomal_S11) 		5 ALA K 118
ALA K 112
GLY K 111
ALA K  74
THR K  40
 None
 1.07A 5lf7V-3j0lK:
undetectable
5lf7W-3j0lK:
undetectable		 5lf7V-3j0lK:
20.18
5lf7W-3j0lK:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j40 GP7

(Salmonella
virus Epsilon15) 		no annotation 5 ALA A 185
THR A 184
CYH A  46
GLY A  87
ASP A  84
 None
 1.05A 5lf7V-3j40A:
undetectable
5lf7W-3j40A:
undetectable		 5lf7V-3j40A:
22.51
5lf7W-3j40A:
20.54
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.
3k9y 1,25-DIHYDROXYVITAMI
N D(3)
24-HYDROXYLASE,
MITOCHONDRIAL

(Rattus
norvegicus) 		PF00067
(p450) 		5 CYH A 462
ALA A 327
ALA A 468
THR A 331
LEU A 371
 HEM  A 520 ( 2.2A)
HEM  A 520 ( 3.4A)
HEM  A 520 ( 4.0A)
HEM  A 520 ( 4.7A)
None
 1.13A 5lf7V-3k9yA:
undetectable
5lf7W-3k9yA:
undetectable		 5lf7V-3k9yA:
17.93
5lf7W-3k9yA:
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.
3llc PUTATIVE HYDROLASE

(Agrobacterium
vitis) 		PF12697
(Abhydrolase_6) 		5 ALA A  68
ALA A  32
GLY A  65
ALA A  62
ASP A  59
 None
None
None
None
EDO  A 275 ( 4.0A)
 1.06A 5lf7V-3llcA:
undetectable
5lf7W-3llcA:
undetectable		 5lf7V-3llcA:
24.29
5lf7W-3llcA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 THR A  99
ALA A  94
GLY A  93
ALA A 150
LEU A 109
 None
 1.00A 5lf7V-3m1aA:
undetectable
5lf7W-3m1aA:
undetectable		 5lf7V-3m1aA:
23.99
5lf7W-3m1aA:
21.40
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 5 THR N   1
THR N  21
GLY N  47
ALA N  49
THR N  52
 None
 0.45A 5lf7V-3mg6N:
30.7
5lf7W-3mg6N:
27.8		 5lf7V-3mg6N:
30.57
5lf7W-3mg6N:
25.37
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.
3mpl VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 THR A 321
GLU A 349
ALA A 373
GLY A 372
ALA A 312
 None
 1.07A 5lf7V-3mplA:
undetectable
5lf7W-3mplA:
undetectable		 5lf7V-3mplA:
22.81
5lf7W-3mplA:
22.78
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 ALA A 721
ALA A 603
GLY A 602
THR A 663
LEU A 687
 None
FDP  A   1 ( 3.8A)
None
None
None
 0.89A 5lf7V-3o8oA:
undetectable
5lf7W-3o8oA:
undetectable		 5lf7V-3o8oA:
17.33
5lf7W-3o8oA:
13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 ALA B 715
ALA B 596
GLY B 595
THR B 656
LEU B 681
 None
FDP  B   2 (-3.5A)
None
None
None
 0.96A 5lf7V-3o8oB:
undetectable
5lf7W-3o8oB:
undetectable		 5lf7V-3o8oB:
16.60
5lf7W-3o8oB:
15.64
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 ALA A 726
ALA A 608
GLY A 607
THR A 668
LEU A 692
 None
SO4  A 994 (-3.5A)
None
None
None
 0.83A 5lf7V-3opyA:
undetectable
5lf7W-3opyA:
undetectable		 5lf7V-3opyA:
14.47
5lf7W-3opyA:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 ALA B 700
ALA B 581
GLY B 580
THR B 641
LEU B 666
 None
 0.98A 5lf7V-3opyB:
undetectable
5lf7W-3opyB:
undetectable		 5lf7V-3opyB:
13.98
5lf7W-3opyB:
13.29
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.
3ovk AMINOPEPTIDASE P,
XAA-PRO DIPEPTIDASE

(Streptococcus
pyogenes) 		PF01321
(Creatinase_N) 		5 ALA A  49
THR A  48
GLY A  20
ALA A  17
LEU A 128
 None
 1.09A 5lf7V-3ovkA:
undetectable
5lf7W-3ovkA:
undetectable		 5lf7V-3ovkA:
20.00
5lf7W-3ovkA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		5 THR A 188
ALA A 140
THR A 139
GLY A 182
LEU A  19
 None
None
NAD  A1385 (-2.8A)
NAD  A1385 (-4.1A)
None
 1.10A 5lf7V-3ox4A:
undetectable
5lf7W-3ox4A:
undetectable		 5lf7V-3ox4A:
20.47
5lf7W-3ox4A:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tcs RACEMASE, PUTATIVE

(Roseobacter
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 THR A   8
GLU A   7
ALA A  83
GLY A  84
ALA A  88
THR A  87
 None
 1.45A 5lf7V-3tcsA:
undetectable
5lf7W-3tcsA:
undetectable		 5lf7V-3tcsA:
19.59
5lf7W-3tcsA:
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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ALA A 288
ALA A 339
GLY A 338
ALA A 336
LEU A 610
 None
 1.08A 5lf7V-3ttsA:
undetectable
5lf7W-3ttsA:
undetectable		 5lf7V-3ttsA:
17.82
5lf7W-3ttsA:
15.33
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.
3u4f MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 THR A   8
GLU A   7
ALA A  83
GLY A  84
ALA A  88
THR A  87
 None
 1.46A 5lf7V-3u4fA:
undetectable
5lf7W-3u4fA:
undetectable		 5lf7V-3u4fA:
21.16
5lf7W-3u4fA:
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		5 THR A   8
ALA A  75
ALA A  61
GLY A  62
ALA A  66
 None
 1.02A 5lf7V-3uboA:
undetectable
5lf7W-3uboA:
undetectable		 5lf7V-3uboA:
20.06
5lf7W-3uboA:
19.50
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) 		8 THR H   1
ALA H  20
THR H  21
CYH H  31
ALA H  46
GLY H  47
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
04C  H 301 ( 3.7A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.58A 5lf7V-3unfH:
37.4
5lf7W-3unfH:
29.3		 5lf7V-3unfH:
57.69
5lf7W-3unfH:
21.96
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
ALA L  20
ALA L  46
GLY L  47
ALA L  49
 None
 0.58A 5lf7V-3wxrL:
29.8
5lf7W-3wxrL:
25.3		 5lf7V-3wxrL:
28.09
5lf7W-3wxrL:
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
ALA L  20
THR L  21
ALA L  46
ALA L  49
 None
 0.79A 5lf7V-3wxrL:
29.8
5lf7W-3wxrL:
25.3		 5lf7V-3wxrL:
28.09
5lf7W-3wxrL:
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.
3zdp NUCLEOCAPSID PROTEIN

(Influenza A
virus) 		PF00506
(Flu_NP) 		5 THR A 134
CYH A 275
ALA A 179
GLY A 180
ASP A 145
 None
 1.00A 5lf7V-3zdpA:
undetectable
5lf7W-3zdpA:
undetectable		 5lf7V-3zdpA:
21.55
5lf7W-3zdpA:
18.42
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A 414
ALA A 333
GLY A 332
ALA A 411
LEU A 448
 None
 1.09A 5lf7V-4b3iA:
undetectable
5lf7W-4b3iA:
undetectable		 5lf7V-4b3iA:
15.81
5lf7W-4b3iA:
15.54
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 504
ALA A  19
GLY A  18
ALA A 475
LEU A 482
 None
 0.97A 5lf7V-4c3yA:
undetectable
5lf7W-4c3yA:
undetectable		 5lf7V-4c3yA:
18.98
5lf7W-4c3yA:
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.
4cr4 26S PROTEASE
REGULATORY SUBUNIT 7
HOMOLOG

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		5 ALA H 438
THR H 439
GLU H 440
ALA H 426
LEU H 410
 None
 1.01A 5lf7V-4cr4H:
undetectable
5lf7W-4cr4H:
undetectable		 5lf7V-4cr4H:
19.70
5lf7W-4cr4H:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 THR A   6
ALA A  73
ALA A  59
GLY A  60
ALA A  64
 None
 0.96A 5lf7V-4e3aA:
undetectable
5lf7W-4e3aA:
undetectable		 5lf7V-4e3aA:
19.72
5lf7W-4e3aA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A   1
ALA A  20
THR A  21
ALA A  47
GLY A  48
 None
 0.70A 5lf7V-4g4eA:
22.0
5lf7W-4g4eA:
19.8		 5lf7V-4g4eA:
24.57
5lf7W-4g4eA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0m C-PHYCOCYANIN BETA
CHAIN

(Synechococcus
elongatus) 		PF00502
(Phycobilisome) 		5 THR B   1
ALA B   4
GLY B 100
ASP B 106
LEU B 110
 None
 1.08A 5lf7V-4h0mB:
undetectable
5lf7W-4h0mB:
undetectable		 5lf7V-4h0mB:
25.11
5lf7W-4h0mB:
21.96
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 ALA A 177
GLY A 360
ALA A 347
THR A 358
ASP A 122
 None
 1.13A 5lf7V-4j5uA:
undetectable
5lf7W-4j5uA:
undetectable		 5lf7V-4j5uA:
21.90
5lf7W-4j5uA:
18.14
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.
4jyp HYDROLASE,
ALPHA/BETA FOLD
FAMILY PROTEIN

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 THR A  57
ALA A   7
GLU A   5
ALA A  54
LEU A  81
 None
 1.08A 5lf7V-4jypA:
undetectable
5lf7W-4jypA:
undetectable		 5lf7V-4jypA:
21.58
5lf7W-4jypA:
21.82
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.
4l7t NANU SIALIC ACID
BINDING PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ALA A 186
THR A 185
GLU A 182
GLY A 133
LEU A 151
 None
 1.10A 5lf7V-4l7tA:
undetectable
5lf7W-4l7tA:
undetectable		 5lf7V-4l7tA:
18.64
5lf7W-4l7tA:
16.18
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.
4m7w PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Leptotrichia
buccalis) 		PF01048
(PNP_UDP_1) 		5 ALA A 130
THR A 129
ALA A 151
GLY A 152
ALA A 107
 None
 0.99A 5lf7V-4m7wA:
undetectable
5lf7W-4m7wA:
undetectable		 5lf7V-4m7wA:
23.94
5lf7W-4m7wA:
21.27
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 THR A 149
CYH A 103
ALA A 334
GLY A 333
ALA A 336
 None
None
None
FDA  A 801 ( 3.7A)
FDA  A 801 (-3.4A)
 1.04A 5lf7V-4mifA:
undetectable
5lf7W-4mifA:
undetectable		 5lf7V-4mifA:
15.36
5lf7W-4mifA:
16.40
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.
4o0e ISOASPARTYL
PEPTIDASE/L-ASPARAGI
NASE

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 ALA A 183
THR A 184
ALA A  89
GLY A  90
ALA A 105
 None
 1.11A 5lf7V-4o0eA:
undetectable
5lf7W-4o0eA:
3.0		 5lf7V-4o0eA:
22.04
5lf7W-4o0eA:
22.33
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A  88
ALA A 411
GLY A  59
ALA A  57
LEU A  20
 None
 1.05A 5lf7V-4q9dA:
undetectable
5lf7W-4q9dA:
undetectable		 5lf7V-4q9dA:
18.28
5lf7W-4q9dA:
18.15
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.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  20
THR K  21
ALA K  46
GLY K  47
ALA K  49
 None
 0.53A 5lf7V-4qv9K:
30.2
5lf7W-4qv9K:
25.5		 5lf7V-4qv9K:
28.09
5lf7W-4qv9K:
25.96
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.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A2895
ALA A2633
ALA A2779
THR A2636
LEU A2905
 None
 1.00A 5lf7V-4qyrA:
undetectable
5lf7W-4qyrA:
undetectable		 5lf7V-4qyrA:
18.20
5lf7W-4qyrA:
16.40
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.
4r7y MINICHROMOSOME
MAINTENANCE PROTEIN
MCM, CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus;
Sulfolobus
solfataricus) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ALA A1794
THR A1796
ALA A1745
GLY A1746
LEU A1825
 None
 1.13A 5lf7V-4r7yA:
undetectable
5lf7W-4r7yA:
undetectable		 5lf7V-4r7yA:
18.67
5lf7W-4r7yA:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tpn PUTATIVE P450-LIKE
PROTEIN

(Streptomyces
scabiei) 		PF00067
(p450) 		5 ALA A 104
GLY A 105
ALA A 110
THR A 107
LEU A 118
 None
None
SO4  A 510 ( 4.8A)
SO4  A 510 ( 2.8A)
None
 0.99A 5lf7V-4tpnA:
undetectable
5lf7W-4tpnA:
undetectable		 5lf7V-4tpnA:
23.15
5lf7W-4tpnA:
19.46
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.
4wa0 POSSIBLE ADHESIN

(Caldicellulosiruptor
kronotskyensis) 		no annotation 5 ALA A 386
THR A 387
ALA A 345
GLY A 346
LEU A 353
 None
 1.10A 5lf7V-4wa0A:
undetectable
5lf7W-4wa0A:
undetectable		 5lf7V-4wa0A:
23.46
5lf7W-4wa0A:
18.47
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.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 ALA A  82
THR A  79
ALA A 374
GLY A 373
LEU A 392
 None
None
FAD  A 500 (-3.5A)
FAD  A 500 (-3.1A)
None
 0.94A 5lf7V-4wctA:
undetectable
5lf7W-4wctA:
undetectable		 5lf7V-4wctA:
21.49
5lf7W-4wctA:
20.56
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.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 ALA A  82
THR A  79
ALA A 374
GLY A 373
THR A  19
 None
None
FAD  A 500 (-3.5A)
FAD  A 500 (-3.1A)
FAD  A 500 (-3.2A)
 1.10A 5lf7V-4wctA:
undetectable
5lf7W-4wctA:
undetectable		 5lf7V-4wctA:
21.49
5lf7W-4wctA:
20.56
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 ALA A 172
GLY A 166
ALA A 160
THR A 150
LEU A 400
 None
 1.03A 5lf7V-4yjiA:
undetectable
5lf7W-4yjiA:
undetectable		 5lf7V-4yjiA:
21.09
5lf7W-4yjiA:
18.14
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.
4ywo MERCURIC REDUCTASE

(Metallosphaera
sedula) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 310
THR A 311
GLU A 312
ALA A 303
GLY A 304
 None
None
None
FAD  A 501 (-3.6A)
None
 1.02A 5lf7V-4ywoA:
undetectable
5lf7W-4ywoA:
undetectable		 5lf7V-4ywoA:
18.87
5lf7W-4ywoA:
18.24
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.
5anb EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6

(Dictyostelium
discoideum) 		PF01912
(eIF-6) 		5 GLU I 219
CYH I 197
ALA I 159
GLY I 158
THR I 155
 None
 1.09A 5lf7V-5anbI:
undetectable
5lf7W-5anbI:
undetectable		 5lf7V-5anbI:
21.14
5lf7W-5anbI:
22.08
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.
5b3h PROTEIN SCARECROW

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		5 ALA A 613
THR A 614
ALA A 606
GLY A 607
ALA A 609
 None
 1.12A 5lf7V-5b3hA:
undetectable
5lf7W-5b3hA:
undetectable		 5lf7V-5b3hA:
21.78
5lf7W-5b3hA:
18.47
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.
5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER

(Pseudomonas
putida) 		PF01547
(SBP_bac_1) 		5 THR A  37
ALA A  65
GLY A  66
ALA A  72
LEU A 385
 None
 0.99A 5lf7V-5dvjA:
undetectable
5lf7W-5dvjA:
undetectable		 5lf7V-5dvjA:
21.48
5lf7W-5dvjA:
18.48
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
CYH H  31
ALA H  46
GLY H  47
ALA H  49
THR H  52
 None
 0.38A 5lf7V-5fg9H:
34.1
5lf7W-5fg9H:
26.4		 5lf7V-5fg9H:
55.23
5lf7W-5fg9H:
25.63
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR L   1
ALA L  20
ALA L  46
GLY L  47
ALA L  49
 None
 0.60A 5lf7V-5fmgL:
28.7
5lf7W-5fmgL:
26.2		 5lf7V-5fmgL:
25.86
5lf7W-5fmgL:
24.55
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
BETA3 PROTEASOME
SUBUNIT, PUTATIVE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF00227
(Proteasome)
PF00227
(Proteasome) 		8 THR I   1
ALA I  20
THR I  21
ALA I  46
GLY I  47
ALA I  49
ASP J 138
LEU J 139
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
None
 0.81A 5lf7V-5fmgI:
31.2
5lf7W-5fmgI:
27.1		 5lf7V-5fmgI:
54.27
5lf7W-5fmgI:
20.65
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
BETA3 PROTEASOME
SUBUNIT, PUTATIVE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF00227
(Proteasome)
PF00227
(Proteasome) 		8 THR I   1
ALA I  20
THR I  21
CYH I  31
ALA I  46
GLY I  47
ALA I  49
LEU J 139
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
None
 0.63A 5lf7V-5fmgI:
31.2
5lf7W-5fmgI:
27.1		 5lf7V-5fmgI:
54.27
5lf7W-5fmgI:
20.65
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
BETA3 PROTEASOME
SUBUNIT, PUTATIVE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF00227
(Proteasome)
PF00227
(Proteasome) 		8 THR I   1
ALA I  20
THR I  21
GLU I  22
ALA I  46
GLY I  47
ASP J 138
LEU J 139
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
None
None
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
None
 1.06A 5lf7V-5fmgI:
31.2
5lf7W-5fmgI:
27.1		 5lf7V-5fmgI:
54.27
5lf7W-5fmgI:
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.
5g1n CAD PROTEIN

(Homo sapiens) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A2091
GLY A2084
THR A2145
ASP A2059
LEU A2058
 None
 1.13A 5lf7V-5g1nA:
undetectable
5lf7W-5g1nA:
undetectable		 5lf7V-5g1nA:
21.01
5lf7W-5g1nA:
19.56
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.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		5 ALA A  69
THR A  70
GLY A  93
ALA A  95
THR A 166
 None
 1.02A 5lf7V-5gw8A:
undetectable
5lf7W-5gw8A:
undetectable		 5lf7V-5gw8A:
21.69
5lf7W-5gw8A:
22.00
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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 ALA A 311
ALA A 301
GLY A 303
ALA A 343
THR A 346
 None
 0.99A 5lf7V-5h7dA:
undetectable
5lf7W-5h7dA:
undetectable		 5lf7V-5h7dA:
18.76
5lf7W-5h7dA:
17.33
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.
5it0 PHOSPHOSERINE
PHOSPHATASE

(Mycobacterium
avium) 		PF12710
(HAD)
PF13740
(ACT_6) 		5 ALA A 370
ALA A 345
GLY A 344
ALA A 362
LEU A 379
 None
 1.07A 5lf7V-5it0A:
undetectable
5lf7W-5it0A:
undetectable		 5lf7V-5it0A:
19.90
5lf7W-5it0A:
18.72
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 THR A 264
ALA A 262
GLU A 537
ALA A 301
THR A 303
 None
None
None
None
GOL  A 601 ( 4.2A)
 1.12A 5lf7V-5kshA:
undetectable
5lf7W-5kshA:
undetectable		 5lf7V-5kshA:
18.72
5lf7W-5kshA:
18.47
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		5 THR K   1
ALA K  20
ALA K  46
GLY K  47
ALA K  49
 None
 0.61A 5lf7V-5l5wK:
30.0
5lf7W-5l5wK:
25.4		 5lf7V-5l5wK:
27.35
5lf7W-5l5wK:
22.57
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		5 THR K   1
ALA K  20
THR K  21
ALA K  46
GLY K  47
 None
 0.59A 5lf7V-5l5wK:
30.0
5lf7W-5l5wK:
25.4		 5lf7V-5l5wK:
27.35
5lf7W-5l5wK:
22.57
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.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1

(Bos taurus;
Bos taurus) 		PF01058
(Oxidored_q6)
PF00146
(NADHdh) 		5 ALA H 221
GLU H  59
ALA H  18
THR H  21
LEU B  45
 None
 1.08A 5lf7V-5lc5H:
undetectable
5lf7W-5lc5H:
undetectable		 5lf7V-5lc5H:
23.42
5lf7W-5lc5H:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 5 THR A  57
ALA A 161
GLY A 162
ALA A 142
LEU A 138
 None
 0.82A 5lf7V-5mg5A:
undetectable
5lf7W-5mg5A:
undetectable		 5lf7V-5mg5A:
undetectable
5lf7W-5mg5A:
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.
5o9c OSMOPORIN OMP36

(Klebsiella
aerogenes) 		no annotation 5 ALA C 244
THR C 245
GLU C 269
ALA C 191
GLY C 192
 None
 0.93A 5lf7V-5o9cC:
undetectable
5lf7W-5o9cC:
undetectable		 5lf7V-5o9cC:
undetectable
5lf7W-5o9cC:
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.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 THR R   1
ALA R  20
ALA R  46
GLY R  47
ALA R  49
 None
 0.89A 5lf7V-5t0gR:
27.5
5lf7W-5t0gR:
24.2		 5lf7V-5t0gR:
27.31
5lf7W-5t0gR:
20.30
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) 		6 ALA O  20
CYH O  31
ALA O  46
GLY O  47
ALA O  49
THR O  52
 None
 0.95A 5lf7V-5t0hO:
31.0
5lf7W-5t0hO:
26.2		 5lf7V-5t0hO:
100.00
5lf7W-5t0hO:
22.89
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) 		6 THR O   1
CYH O  31
ALA O  46
GLY O  47
ALA O  49
THR O  52
 None
 0.98A 5lf7V-5t0hO:
31.0
5lf7W-5t0hO:
26.2		 5lf7V-5t0hO:
100.00
5lf7W-5t0hO:
22.89
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF

(Methanothermobacter
wolfeii) 		PF00037
(Fer4)
PF12838
(Fer4_7) 		5 THR F  57
GLU F 275
ALA F  53
GLY F  52
LEU F 301
 None
None
None
None
SF4  F 402 ( 4.9A)
 1.02A 5lf7V-5t5iF:
undetectable
5lf7W-5t5iF:
undetectable		 5lf7V-5t5iF:
20.74
5lf7W-5t5iF:
19.02
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 ALA B 239
THR B 208
ALA B 233
GLY B 232
THR B 253
 None
 0.98A 5lf7V-5thzB:
undetectable
5lf7W-5thzB:
undetectable		 5lf7V-5thzB:
18.18
5lf7W-5thzB:
18.00
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 THR R   1
ALA R  20
THR R  21
GLY R  47
ALA R  49
 None
 0.61A 5lf7V-5vfrR:
28.3
5lf7W-5vfrR:
25.1		 5lf7V-5vfrR:
undetectable
5lf7W-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.
5xa5 ALPHA-CATENIN-LIKE
PROTEIN HMP-1

(Caenorhabditis
elegans) 		PF01044
(Vinculin) 		5 THR A 220
ALA A 240
THR A 239
ALA A 156
LEU A 250
 None
 1.01A 5lf7V-5xa5A:
undetectable
5lf7W-5xa5A:
undetectable		 5lf7V-5xa5A:
22.49
5lf7W-5xa5A:
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.
5xxu RIBOSOMAL PROTEIN
US11

(Toxoplasma
gondii) 		PF00411
(Ribosomal_S11) 		5 ALA O 123
ALA O 117
GLY O 116
ALA O  79
THR O  45
 None
 1.00A 5lf7V-5xxuO:
undetectable
5lf7W-5xxuO:
undetectable		 5lf7V-5xxuO:
22.98
5lf7W-5xxuO:
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.
5xyi RIBOSOMAL PROTEIN
S14

(Trichomonas
vaginalis) 		PF00411
(Ribosomal_S11) 		5 ALA O 126
ALA O 120
GLY O 119
ALA O  82
THR O  48
 None
 1.06A 5lf7V-5xyiO:
undetectable
5lf7W-5xyiO:
undetectable		 5lf7V-5xyiO:
24.78
5lf7W-5xyiO:
22.42
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 7 THR B   1
ALA B  20
THR B  21
CYH B  31
ALA B  46
GLY B  47
ALA B  49
 None
 0.75A 5lf7V-6avoB:
22.0
5lf7W-6avoB:
21.0		 5lf7V-6avoB:
undetectable
5lf7W-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.
6b8s DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Helicobacter
pylori) 		no annotation 5 THR A  91
ALA A  96
GLY A 124
ASP A  70
LEU A  76
 FMN  A 401 (-3.8A)
None
None
None
None
 1.10A 5lf7V-6b8sA:
undetectable
5lf7W-6b8sA:
undetectable		 5lf7V-6b8sA:
undetectable
5lf7W-6b8sA:
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.
6cl5 TAIL FIBER PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 372
THR A 371
GLY A 403
ALA A 405
LEU A 434
 None
 0.97A 5lf7V-6cl5A:
2.1
5lf7W-6cl5A:
undetectable		 5lf7V-6cl5A:
undetectable
5lf7W-6cl5A:
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.
6cl6 TAIL FIBER PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 372
THR A 371
GLY A 403
ALA A 405
LEU A 434
 None
 0.93A 5lf7V-6cl6A:
2.2
5lf7W-6cl6A:
undetectable		 5lf7V-6cl6A:
undetectable
5lf7W-6cl6A:
undetectable