SIMILAR PATTERNS OF AMINO ACIDS FOR 5LF3_H_BO2H306

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
 1.13A 5lf3H-1bvuA:
undetectable
5lf3I-1bvuA:
undetectable		 5lf3H-1bvuA:
20.43
5lf3I-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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  24
GLU A 328
ALA A  17
GLY A  18
ALA A 146
 None
None
None
FAD  A 462 (-3.3A)
FAD  A 462 (-4.7A)
 1.18A 5lf3H-1ebdA:
2.9
5lf3I-1ebdA:
undetectable		 5lf3H-1ebdA:
20.57
5lf3I-1ebdA:
18.63
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.
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
 1.08A 5lf3H-1euzA:
undetectable
5lf3I-1euzA:
undetectable		 5lf3H-1euzA:
20.14
5lf3I-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.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 ALA A 266
THR A 268
ALA A 237
GLY A 238
THR A  69
 None
None
SO4  A 400 (-3.6A)
None
None
 1.22A 5lf3H-1g68A:
undetectable
5lf3I-1g68A:
undetectable		 5lf3H-1g68A:
19.93
5lf3I-1g68A:
19.78
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.
1gtm GLUTAMATE
DEHYDROGENASE

(Pyrococcus
furiosus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A 197
ALA A 380
ALA A 194
GLY A 193
ALA A 345
 None
 1.15A 5lf3H-1gtmA:
undetectable
5lf3I-1gtmA:
undetectable		 5lf3H-1gtmA:
20.62
5lf3I-1gtmA:
17.77
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.
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)
 0.25A 5lf3H-1j2qH:
30.5
5lf3I-1j2qH:
28.3		 5lf3H-1j2qH:
30.00
5lf3I-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.
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
 0.99A 5lf3H-1lluA:
undetectable
5lf3I-1lluA:
undetectable		 5lf3H-1lluA:
21.10
5lf3I-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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  18
GLU A 332
ALA A  11
GLY A  12
ALA A 149
 None
None
None
FAD  A 480 (-3.5A)
FAD  A 480 (-4.8A)
 1.21A 5lf3H-1lpfA:
undetectable
5lf3I-1lpfA:
undetectable		 5lf3H-1lpfA:
18.83
5lf3I-1lpfA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		5 THR A 500
ALA A  81
THR A 127
GLU A 129
GLY A 431
 None
 1.14A 5lf3H-1obhA:
undetectable
5lf3I-1obhA:
undetectable		 5lf3H-1obhA:
13.47
5lf3I-1obhA:
13.41
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.
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
 0.42A 5lf3H-1q5qH:
26.5
5lf3I-1q5qH:
24.6		 5lf3H-1q5qH:
26.72
5lf3I-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
 0.26A 5lf3H-1q5rH:
24.6
5lf3I-1q5rH:
23.0		 5lf3H-1q5rH:
26.32
5lf3I-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.
1sur PAPS REDUCTASE

(Escherichia
coli) 		PF01507
(PAPS_reduct) 		5 GLU A  28
ALA A  37
GLY A  34
ALA A  32
ASP A 183
 None
 1.17A 5lf3H-1surA:
undetectable
5lf3I-1surA:
undetectable		 5lf3H-1surA:
22.35
5lf3I-1surA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 442
CYH A 375
ALA A 449
GLY A 448
ASP A 358
 None
 1.16A 5lf3H-1typA:
undetectable
5lf3I-1typA:
undetectable		 5lf3H-1typA:
18.89
5lf3I-1typA:
19.18
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.
1yht DSPB

(Aggregatibacter
actinomycetemcomitans) 		PF00728
(Glyco_hydro_20) 		5 THR A 357
THR A 319
GLU A 321
ALA A 325
ALA A 323
 None
 1.20A 5lf3H-1yhtA:
undetectable
5lf3I-1yhtA:
undetectable		 5lf3H-1yhtA:
21.01
5lf3I-1yhtA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a87 THIOREDOXIN
REDUCTASE

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		5 ALA A 307
THR A 276
ALA A 300
GLY A 287
ALA A 121
 None
None
FAD  A 348 ( 3.7A)
FAD  A 348 (-3.2A)
None
 1.19A 5lf3H-2a87A:
undetectable
5lf3I-2a87A:
undetectable		 5lf3H-2a87A:
24.08
5lf3I-2a87A:
21.24
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.
2cge ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90) 		5 ALA A 650
THR A 649
GLU A 648
GLY A 655
ASP A 659
 None
 1.22A 5lf3H-2cgeA:
undetectable
5lf3I-2cgeA:
undetectable		 5lf3H-2cgeA:
21.16
5lf3I-2cgeA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 5lf3H-2f00A:
undetectable
5lf3I-2f00A:
undetectable		 5lf3H-2f00A:
20.56
5lf3I-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
 0.44A 5lf3H-2fhgH:
25.7
5lf3I-2fhgH:
24.0		 5lf3H-2fhgH:
22.92
5lf3I-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.
2gf2 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ALA A 207
THR A 204
CYH A 211
THR A 296
ASP A 136
 None
 1.21A 5lf3H-2gf2A:
undetectable
5lf3I-2gf2A:
undetectable		 5lf3H-2gf2A:
22.83
5lf3I-2gf2A:
21.68
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.
2i5i UPF0249 PROTEIN
EF_3048

(Enterococcus
faecalis) 		PF04794
(YdjC) 		5 ALA A  10
THR A  35
CYH A 212
GLY A  22
ALA A  26
 None
 1.11A 5lf3H-2i5iA:
undetectable
5lf3I-2i5iA:
undetectable		 5lf3H-2i5iA:
22.39
5lf3I-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.
2i5i UPF0249 PROTEIN
EF_3048

(Enterococcus
faecalis) 		PF04794
(YdjC) 		5 THR A  35
CYH A 212
ALA A 215
GLY A  22
ALA A  26
 None
 1.05A 5lf3H-2i5iA:
undetectable
5lf3I-2i5iA:
undetectable		 5lf3H-2i5iA:
22.39
5lf3I-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
 1.17A 5lf3H-2ibuA:
undetectable
5lf3I-2ibuA:
undetectable		 5lf3H-2ibuA:
18.09
5lf3I-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.
2o8v PHOSPHOADENOSINE
PHOSPHOSULFATE
REDUCTASE

(Escherichia
coli) 		PF01507
(PAPS_reduct) 		5 GLU A  29
ALA A  38
GLY A  35
ALA A  33
ASP A 184
 None
 1.19A 5lf3H-2o8vA:
undetectable
5lf3I-2o8vA:
undetectable		 5lf3H-2o8vA:
21.45
5lf3I-2o8vA:
20.91
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.
2pe4 HYALURONIDASE-1

(Homo sapiens) 		PF01630
(Glyco_hydro_56) 		5 ALA A 355
THR A 352
ALA A 316
GLY A 317
ALA A 311
 None
 1.16A 5lf3H-2pe4A:
undetectable
5lf3I-2pe4A:
undetectable		 5lf3H-2pe4A:
20.39
5lf3I-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
 1.09A 5lf3H-2v6oA:
undetectable
5lf3I-2v6oA:
undetectable		 5lf3H-2v6oA:
19.49
5lf3I-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.
2wp4 MOLYBDOPTERIN-CONVER
TING FACTOR SUBUNIT
2 1

(Mycobacterium
tuberculosis) 		PF02391
(MoaE) 		5 ALA A  28
GLU A  24
ALA A 105
GLY A 104
ALA A  86
 None
GOL  A1138 (-2.7A)
None
None
None
 1.11A 5lf3H-2wp4A:
undetectable
5lf3I-2wp4A:
undetectable		 5lf3H-2wp4A:
21.49
5lf3I-2wp4A:
21.53
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 THR A 128
ALA A 118
ALA A 132
GLY A 131
ASP A  56
 None
None
None
None
ZN  A1476 (-2.2A)
 1.14A 5lf3H-2x98A:
undetectable
5lf3I-2x98A:
undetectable		 5lf3H-2x98A:
19.03
5lf3I-2x98A:
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 ALA A  37
ALA A 139
GLY A 111
ALA A  32
THR A 282
 None
 1.17A 5lf3H-2xsgA:
undetectable
5lf3I-2xsgA:
undetectable		 5lf3H-2xsgA:
16.39
5lf3I-2xsgA:
13.93
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.
2zal L-ASPARAGINASE

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 ALA B 194
THR B 195
ALA A  94
GLY A  95
ALA A 110
 None
 1.19A 5lf3H-2zalB:
5.3
5lf3I-2zalB:
4.6		 5lf3H-2zalB:
25.36
5lf3I-2zalB:
18.27
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 THR A  63
ALA A 113
THR A 111
ALA A  75
GLY A  74
 None
None
MG  A1003 (-4.2A)
None
None
 1.20A 5lf3H-3a52A:
undetectable
5lf3I-3a52A:
undetectable		 5lf3H-3a52A:
21.57
5lf3I-3a52A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		5 ALA A 687
THR A 523
GLU A 524
ALA A 531
GLY A 530
 None
 1.18A 5lf3H-3e1sA:
undetectable
5lf3I-3e1sA:
undetectable		 5lf3H-3e1sA:
19.22
5lf3I-3e1sA:
16.64
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ALA A 216
THR A 210
ALA A 274
GLY A 273
ALA A 269
 None
 1.09A 5lf3H-3go7A:
undetectable
5lf3I-3go7A:
undetectable		 5lf3H-3go7A:
20.43
5lf3I-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.
3gyb TRANSCRIPTIONAL
REGULATORS
(LACI-FAMILY
TRANSCRIPTIONAL
REGULATORY PROTEIN)

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		5 THR A 225
ALA A 246
THR A 245
ALA A 252
GLY A 251
 None
 1.20A 5lf3H-3gybA:
undetectable
5lf3I-3gybA:
undetectable		 5lf3H-3gybA:
20.39
5lf3I-3gybA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 5lf3H-3hu5A:
undetectable
5lf3I-3hu5A:
undetectable		 5lf3H-3hu5A:
21.48
5lf3I-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.
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
 1.09A 5lf3H-3j0lK:
undetectable
5lf3I-3j0lK:
undetectable		 5lf3H-3j0lK:
20.18
5lf3I-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
 1.14A 5lf3H-3j40A:
undetectable
5lf3I-3j40A:
undetectable		 5lf3H-3j40A:
22.51
5lf3I-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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A  67
ALA A 149
GLY A  64
ALA A  85
THR A 152
 None
 1.14A 5lf3H-3jv7A:
undetectable
5lf3I-3jv7A:
undetectable		 5lf3H-3jv7A:
23.23
5lf3I-3jv7A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  18
GLU A 332
ALA A  11
GLY A  12
ALA A 149
 None
None
None
FAD  A 480 (-3.1A)
FAD  A 480 (-4.6A)
 1.19A 5lf3H-3ladA:
undetectable
5lf3I-3ladA:
undetectable		 5lf3H-3ladA:
19.79
5lf3I-3ladA:
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.
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)
 1.07A 5lf3H-3llcA:
undetectable
5lf3I-3llcA:
undetectable		 5lf3H-3llcA:
24.29
5lf3I-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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		5 ALA A 135
THR A 136
ALA A  20
GLY A  21
ALA A  62
 None
 1.18A 5lf3H-3lm6A:
undetectable
5lf3I-3lm6A:
undetectable		 5lf3H-3lm6A:
23.23
5lf3I-3lm6A:
19.24
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
 0.51A 5lf3H-3mg6N:
30.6
5lf3I-3mg6N:
27.8		 5lf3H-3mg6N:
30.57
5lf3I-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
 0.97A 5lf3H-3mplA:
undetectable
5lf3I-3mplA:
undetectable		 5lf3H-3mplA:
22.81
5lf3I-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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 THR A 283
ALA A 473
ALA A 280
GLY A 279
ASP A 340
 None
 1.18A 5lf3H-3nm1A:
undetectable
5lf3I-3nm1A:
undetectable		 5lf3H-3nm1A:
17.75
5lf3I-3nm1A:
17.12
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.
3nxs LAO/AO TRANSPORT
SYSTEM ATPASE

(Mycolicibacterium
smegmatis) 		PF03308
(ArgK) 		5 ALA A 132
THR A 135
GLU A 137
ALA A 165
GLY A 166
 None
 1.15A 5lf3H-3nxsA:
undetectable
5lf3I-3nxsA:
undetectable		 5lf3H-3nxsA:
23.81
5lf3I-3nxsA:
22.66
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.
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
 1.43A 5lf3H-3tcsA:
undetectable
5lf3I-3tcsA:
undetectable		 5lf3H-3tcsA:
19.59
5lf3I-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.
3tev GLYCOSYL HYROLASE,
FAMILY 3

(Deinococcus
radiodurans) 		PF00933
(Glyco_hydro_3) 		5 THR A 107
ALA A  95
ALA A 160
GLY A 158
ASP A 132
 None
 1.22A 5lf3H-3tevA:
undetectable
5lf3I-3tevA:
undetectable		 5lf3H-3tevA:
20.87
5lf3I-3tevA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tvl THIAMINE-TRIPHOSPHAT
ASE

(Homo sapiens) 		PF01928
(CYTH) 		5 THR A  87
GLU A  85
CYH A  93
ALA A 103
ASP A 105
 None
 1.12A 5lf3H-3tvlA:
undetectable
5lf3I-3tvlA:
undetectable		 5lf3H-3tvlA:
22.30
5lf3I-3tvlA:
18.64
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.
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
 1.45A 5lf3H-3u4fA:
undetectable
5lf3I-3u4fA:
undetectable		 5lf3H-3u4fA:
21.16
5lf3I-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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 THR A  69
GLU A 135
ALA A 303
GLY A 304
ALA A 225
 None
 1.18A 5lf3H-3u4gA:
undetectable
5lf3I-3u4gA:
undetectable		 5lf3H-3u4gA:
21.16
5lf3I-3u4gA:
21.92
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.
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 5lf3H-3uboA:
undetectable
5lf3I-3uboA:
undetectable		 5lf3H-3uboA:
20.06
5lf3I-3uboA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 ALA A 219
THR A 220
GLU A 221
GLY A 268
THR A 197
 None
 1.21A 5lf3H-3uhjA:
undetectable
5lf3I-3uhjA:
undetectable		 5lf3H-3uhjA:
21.20
5lf3I-3uhjA:
19.07
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)
 0.63A 5lf3H-3unfH:
37.7
5lf3I-3unfH:
29.1		 5lf3H-3unfH:
57.69
5lf3I-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
 0.64A 5lf3H-3wxrL:
29.8
5lf3I-3wxrL:
25.2		 5lf3H-3wxrL:
28.09
5lf3I-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 5lf3H-3wxrL:
29.8
5lf3I-3wxrL:
25.2		 5lf3H-3wxrL:
28.09
5lf3I-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
 0.99A 5lf3H-3zdpA:
undetectable
5lf3I-3zdpA:
undetectable		 5lf3H-3zdpA:
21.55
5lf3I-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.
4d3y LEGUMAIN

(Cricetulus
griseus) 		PF01650
(Peptidase_C13) 		5 ALA A 215
THR A 213
ALA A 155
GLY A 154
ASP A 236
 CSX  A 194 ( 4.6A)
None
None
CSX  A 194 ( 3.5A)
None
 0.99A 5lf3H-4d3yA:
undetectable
5lf3I-4d3yA:
undetectable		 5lf3H-4d3yA:
20.44
5lf3I-4d3yA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		5 ALA A 413
GLU A 207
ALA A 198
GLY A 197
ALA A 194
 None
 1.14A 5lf3H-4dqvA:
undetectable
5lf3I-4dqvA:
undetectable		 5lf3H-4dqvA:
20.25
5lf3I-4dqvA:
16.98
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.
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
 0.95A 5lf3H-4e3aA:
undetectable
5lf3I-4e3aA:
undetectable		 5lf3H-4e3aA:
19.72
5lf3I-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
 0.65A 5lf3H-4g4eA:
22.0
5lf3I-4g4eA:
19.8		 5lf3H-4g4eA:
24.57
5lf3I-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.
4iqc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B

(Homo sapiens) 		PF00254
(FKBP_C) 		5 ALA A  72
THR A   6
GLU A   5
ALA A  63
GLY A  62
 None
 1.19A 5lf3H-4iqcA:
undetectable
5lf3I-4iqcA:
undetectable		 5lf3H-4iqcA:
19.46
5lf3I-4iqcA:
21.32
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  21
GLU A 327
ALA A  14
GLY A  15
ALA A 144
 None
None
None
FAD  A 512 (-3.4A)
FAD  A 512 (-4.8A)
 1.17A 5lf3H-4jq9A:
2.2
5lf3I-4jq9A:
undetectable		 5lf3H-4jq9A:
20.43
5lf3I-4jq9A:
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.
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
 1.01A 5lf3H-4m7wA:
undetectable
5lf3I-4m7wA:
undetectable		 5lf3H-4m7wA:
23.94
5lf3I-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.
4m9a ACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  25
CYH A  20
ALA A  81
ALA A  78
ASP A 259
 None
 1.20A 5lf3H-4m9aA:
undetectable
5lf3I-4m9aA:
undetectable		 5lf3H-4m9aA:
18.80
5lf3I-4m9aA:
20.81
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.
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)
 1.07A 5lf3H-4mifA:
undetectable
5lf3I-4mifA:
undetectable		 5lf3H-4mifA:
15.36
5lf3I-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.
4n3o PUTATIVE
D-GLYCERO-D-MANNO-HE
PTOSE 7-PHOSPHATE
KINASE

(Campylobacter
jejuni) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ALA A 164
GLU A 137
ALA A  35
GLY A 168
THR A 330
 None
 1.21A 5lf3H-4n3oA:
undetectable
5lf3I-4n3oA:
undetectable		 5lf3H-4n3oA:
23.05
5lf3I-4n3oA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.13A 5lf3H-4o0eA:
undetectable
5lf3I-4o0eA:
2.8		 5lf3H-4o0eA:
22.04
5lf3I-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.
4o48 UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF01112
(Asparaginase_2) 		5 ALA A 183
THR A 184
ALA A  89
GLY A  90
ALA A 105
 None
 1.18A 5lf3H-4o48A:
undetectable
5lf3I-4o48A:
2.8		 5lf3H-4o48A:
22.51
5lf3I-4o48A:
21.84
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 447
THR A 446
ALA A 411
GLY A 414
ALA A 416
 None
 1.11A 5lf3H-4q9dA:
undetectable
5lf3I-4q9dA:
undetectable		 5lf3H-4q9dA:
18.28
5lf3I-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
 0.57A 5lf3H-4qv9K:
30.2
5lf3I-4qv9K:
25.4		 5lf3H-4qv9K:
28.09
5lf3I-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.
4rjw PORIN O

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 THR A  47
ALA A  55
GLY A 228
ALA A 230
THR A 231
 None
 1.16A 5lf3H-4rjwA:
undetectable
5lf3I-4rjwA:
undetectable		 5lf3H-4rjwA:
19.72
5lf3I-4rjwA:
18.98
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.
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)
 1.14A 5lf3H-4wctA:
undetectable
5lf3I-4wctA:
undetectable		 5lf3H-4wctA:
21.49
5lf3I-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.
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
 1.01A 5lf3H-4ywoA:
undetectable
5lf3I-4ywoA:
undetectable		 5lf3H-4ywoA:
18.87
5lf3I-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
 1.12A 5lf3H-5anbI:
undetectable
5lf3I-5anbI:
undetectable		 5lf3H-5anbI:
21.14
5lf3I-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
 1.10A 5lf3H-5b3hA:
undetectable
5lf3I-5b3hA:
undetectable		 5lf3H-5b3hA:
21.78
5lf3I-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.
5buk FADH2-DEPENDENT
HALOGENASE

(Streptomyces
sp. CNQ-418) 		PF04820
(Trp_halogenase) 		5 ALA A 167
THR A 160
GLU A 159
ALA A 163
GLY A 164
 None
 1.19A 5lf3H-5bukA:
undetectable
5lf3I-5bukA:
undetectable		 5lf3H-5bukA:
18.02
5lf3I-5bukA:
17.18
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.
5cx0 PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		5 ALA A  79
THR A  78
ALA A  83
GLY A 119
ASP A 123
 None
 1.17A 5lf3H-5cx0A:
undetectable
5lf3I-5cx0A:
undetectable		 5lf3H-5cx0A:
20.92
5lf3I-5cx0A:
17.76
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
 0.47A 5lf3H-5fg9H:
34.1
5lf3I-5fg9H:
26.3		 5lf3H-5fg9H:
55.23
5lf3I-5fg9H:
25.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 THR I   1
ALA I  20
THR I  21
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 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)
 0.78A 5lf3H-5fmgI:
31.3
5lf3I-5fmgI:
27.0		 5lf3H-5fmgI:
54.27
5lf3I-5fmgI:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 THR I   1
ALA I  20
THR I  21
GLU I  22
ALA I  46
GLY I  47
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
None
None
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 0.95A 5lf3H-5fmgI:
31.3
5lf3I-5fmgI:
27.0		 5lf3H-5fmgI:
54.27
5lf3I-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

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 THR I   1
ALA I  20
THR I  21
CYH I  31
ALA I  46
GLY I  47
ALA I  49
 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)
 0.67A 5lf3H-5fmgI:
31.3
5lf3I-5fmgI:
27.0		 5lf3H-5fmgI:
54.27
5lf3I-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

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 THR I   1
ALA I  20
THR I  21
GLU I  22
CYH I  31
ALA I  46
GLY I  47
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
None
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.8A)
 0.96A 5lf3H-5fmgI:
31.3
5lf3I-5fmgI:
27.0		 5lf3H-5fmgI:
54.27
5lf3I-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.
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 5lf3H-5fmgL:
28.7
5lf3I-5fmgL:
26.2		 5lf3H-5fmgL:
25.86
5lf3I-5fmgL:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.00A 5lf3H-5gw8A:
undetectable
5lf3I-5gw8A:
undetectable		 5lf3H-5gw8A:
21.69
5lf3I-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.
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)
 1.16A 5lf3H-5kshA:
undetectable
5lf3I-5kshA:
undetectable		 5lf3H-5kshA:
18.72
5lf3I-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

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  20
THR K  21
ALA K  46
GLY K  47
ALA K  49
 None
 0.77A 5lf3H-5l5wK:
30.0
5lf3I-5l5wK:
25.3		 5lf3H-5l5wK:
27.35
5lf3I-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.
5o9c OSMOPORIN OMP36

(Klebsiella
aerogenes) 		no annotation 5 ALA C 244
THR C 245
GLU C 269
ALA C 191
GLY C 192
 None
 0.90A 5lf3H-5o9cC:
undetectable
5lf3I-5o9cC:
undetectable		 5lf3H-5o9cC:
13.68
5lf3I-5o9cC:
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.
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
 0.94A 5lf3H-5t0gR:
27.5
5lf3I-5t0gR:
24.2		 5lf3H-5t0gR:
27.31
5lf3I-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) 		5 ALA O  20
CYH O  31
ALA O  46
GLY O  47
ALA O  49
 None
 0.75A 5lf3H-5t0hO:
30.9
5lf3I-5t0hO:
26.1		 5lf3H-5t0hO:
100.00
5lf3I-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) 		5 THR O   1
ALA O  46
GLY O  47
ALA O  49
THR O  52
 None
 0.99A 5lf3H-5t0hO:
30.9
5lf3I-5t0hO:
26.1		 5lf3H-5t0hO:
100.00
5lf3I-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) 		5 THR O   1
CYH O  31
ALA O  46
GLY O  47
ALA O  49
 None
 0.77A 5lf3H-5t0hO:
30.9
5lf3I-5t0hO:
26.1		 5lf3H-5t0hO:
100.00
5lf3I-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.
5thz CURJ

(Moorea
producens) 		no annotation 5 ALA B 239
THR B 208
ALA B 233
GLY B 232
THR B 253
 None
 1.04A 5lf3H-5thzB:
undetectable
5lf3I-5thzB:
undetectable		 5lf3H-5thzB:
18.18
5lf3I-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
 0.62A 5lf3H-5vfrR:
28.3
5lf3I-5vfrR:
25.1		 5lf3H-5vfrR:
undetectable
5lf3I-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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 5 THR A 234
ALA A 369
THR A 370
ALA A 596
ASP A 627
 None
 1.15A 5lf3H-5vhaA:
undetectable
5lf3I-5vhaA:
undetectable		 5lf3H-5vhaA:
13.60
5lf3I-5vhaA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.02A 5lf3H-5xxuO:
undetectable
5lf3I-5xxuO:
undetectable		 5lf3H-5xxuO:
22.98
5lf3I-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
 1.09A 5lf3H-5xyiO:
undetectable
5lf3I-5xyiO:
undetectable		 5lf3H-5xyiO:
24.78
5lf3I-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.
5yj6 DOCKERIN TYPE I
REPEAT-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 5 ALA A 532
THR A 533
ALA A 658
GLY A 655
ALA A 653
 None
 1.20A 5lf3H-5yj6A:
undetectable
5lf3I-5yj6A:
undetectable		 5lf3H-5yj6A:
13.48
5lf3I-5yj6A:
17.26
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  19
GLU A 336
ALA A  12
GLY A  13
ALA A 152
 None
None
None
FAD  A 501 (-3.4A)
FAD  A 501 (-4.8A)
 1.13A 5lf3H-6aonA:
undetectable
5lf3I-6aonA:
undetectable		 5lf3H-6aonA:
20.95
5lf3I-6aonA:
17.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(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
 0.83A 5lf3H-6avoB:
22.0
5lf3I-6avoB:
20.9		 5lf3H-6avoB:
44.44
5lf3I-6avoB:
18.41
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.
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
 1.18A 5lf3H-6fnuA:
undetectable
5lf3I-6fnuA:
undetectable		 5lf3H-6fnuA:
20.23
5lf3I-6fnuA:
27.54
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
11

(Mus musculus) 		no annotation 5 THR Y  72
ALA Y  67
ALA Y  95
GLY Y  96
THR Y  99
 None
 1.06A 5lf3H-6g72Y:
undetectable
5lf3I-6g72Y:
undetectable		 5lf3H-6g72Y:
15.38
5lf3I-6g72Y:
16.34