SIMILAR PATTERNS OF AMINO ACIDS FOR 5O96_C_SAMC501_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.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		5 LEU A 325
GLY A  61
SER A 322
LEU A 318
ALA A 317
 None
 1.20A 5o96C-1biyA:
undetectable		 5o96C-1biyA:
14.97
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.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		4 SER A 359
LEU A 364
THR A 370
ALA A 373
 None
 0.62A 5o96C-1bl5A:
2.8		 5o96C-1bl5A:
22.71
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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 LEU A 263
GLY A 496
THR A 494
ALA A 245
 None
 0.64A 5o96C-1ciyA:
undetectable		 5o96C-1ciyA:
17.29
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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		4 GLY B  58
GLY B  46
SER B 494
LEU B 485
 None
 0.67A 5o96C-1cp9B:
undetectable		 5o96C-1cp9B:
17.64
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.
1dlc DELTA-ENDOTOXIN
CRYIIIA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 LEU A 299
GLY A 535
THR A 533
ALA A 281
 None
 0.65A 5o96C-1dlcA:
undetectable		 5o96C-1dlcA:
17.67
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.
1dot DUCK OVOTRANSFERRIN

(Anas
platyrhynchos) 		PF00405
(Transferrin) 		5 LEU A 394
GLY A 397
GLY A 459
THR A 401
ALA A 402
 None
 1.34A 5o96C-1dotA:
undetectable		 5o96C-1dotA:
16.47
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.
1f20 NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		4 LEU A1025
GLY A1021
LEU A1017
ALA A 995
 None
 0.74A 5o96C-1f20A:
2.1		 5o96C-1f20A:
20.92
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 LEU A 458
GLY A 488
GLY A 463
THR A 493
ALA A 495
 None
 1.01A 5o96C-1f4hA:
2.2		 5o96C-1f4hA:
12.70
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.
1fon PROCARBOXYPEPTIDASE
A-S6

(Bos taurus) 		PF00089
(Trypsin) 		4 GLY A 182
GLY A 185
THR A 221
ALA A 175
 None
 0.76A 5o96C-1fonA:
undetectable		 5o96C-1fonA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gns SUBTILISIN BPN'

(Bacillus
amyloliquefaciens) 		PF00082
(Peptidase_S8) 		5 GLY A 266
GLY A 264
SER A 224
LEU A 250
THR A 254
 None
 1.06A 5o96C-1gnsA:
2.8		 5o96C-1gnsA:
20.42
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 LEU A  34
GLY A  36
GLY A  31
ALA A 232
 FAD  A 600 (-3.7A)
None
FAD  A 600 (-3.2A)
None
 0.60A 5o96C-1gpeA:
2.3		 5o96C-1gpeA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 GLY A 196
GLY A 201
SER A 215
LEU A 225
ALA A 230
 None
 0.90A 5o96C-1gz0A:
12.6		 5o96C-1gz0A:
25.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		4 GLY A 199
SER A 215
LEU A 225
ALA A 230
 None
 0.75A 5o96C-1gz0A:
12.6		 5o96C-1gz0A:
25.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h1c HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		4 GLY A 212
GLY A  84
SER A 205
ALA A 241
 PLP  A1202 ( 4.9A)
PLP  A1202 (-3.5A)
None
None
 0.77A 5o96C-1h1cA:
undetectable		 5o96C-1h1cA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 GLY A 577
GLY A 531
THR A 556
ALA A 559
 None
 0.76A 5o96C-1h39A:
undetectable		 5o96C-1h39A:
17.58
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.
1h54 MALTOSE
PHOSPHORYLASE

(Lactobacillus
brevis) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 LEU A 388
GLY A 390
GLY A 412
ALA A 403
 None
 0.68A 5o96C-1h54A:
undetectable		 5o96C-1h54A:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j6r METHIONINE SYNTHASE

(Thermotoga
maritima) 		no annotation 5 LEU A 157
SER A 151
LEU A  82
THR A  79
ALA A  78
 None
 1.44A 5o96C-1j6rA:
undetectable		 5o96C-1j6rA:
19.37
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		5 LEU A 611
GLY A 609
GLY A 605
THR A 725
ALA A 721
 None
 1.26A 5o96C-1jqoA:
undetectable		 5o96C-1jqoA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		4 LEU A 366
GLY A 368
GLY A 393
ALA A 324
 None
 0.67A 5o96C-1kplA:
undetectable		 5o96C-1kplA:
20.42
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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 400
SER A 454
THR A 383
ALA A 460
 None
 0.77A 5o96C-1lpfA:
2.0		 5o96C-1lpfA:
22.47
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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		4 LEU A 380
GLY A 360
GLY A 316
SER A  56
 None
IMP  A 801 (-4.1A)
IMP  A 801 (-3.6A)
None
 0.63A 5o96C-1lrtA:
undetectable		 5o96C-1lrtA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		5 LEU A  72
GLY A 103
GLY A 107
SER A 121
LEU A 127
 None
 0.89A 5o96C-1ns5A:
9.0		 5o96C-1ns5A:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		5 LEU A 171
GLY A 195
GLY A 199
THR A 225
ALA A 228
 None
 0.75A 5o96C-1nxzA:
29.9		 5o96C-1nxzA:
49.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		5 LEU A 171
GLY A 195
LEU A 223
THR A 225
ALA A 228
 None
 0.51A 5o96C-1nxzA:
29.9		 5o96C-1nxzA:
49.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oi7 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 LEU A 118
GLY A 121
SER A 116
LEU A  82
ALA A 107
 None
 1.47A 5o96C-1oi7A:
2.3		 5o96C-1oi7A:
24.66
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.
1p88 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		4 LEU A 108
GLY A 156
THR A 158
ALA A 183
 None
 0.77A 5o96C-1p88A:
undetectable		 5o96C-1p88A:
22.90
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.
1pdk PROTEIN (PROTEIN
PAPK)

(Escherichia
coli) 		PF00419
(Fimbrial) 		5 LEU B  89
GLY B  87
LEU B 136
THR B 132
ALA B 131
 None
 1.41A 5o96C-1pdkB:
undetectable		 5o96C-1pdkB:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		5 LEU A 198
GLY A 253
SER A 196
LEU A 238
ALA A 241
 None
 1.27A 5o96C-1pemA:
undetectable		 5o96C-1pemA:
16.39
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.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 LEU A  81
GLY A  84
SER A  73
ALA A  34
 None
 0.77A 5o96C-1pguA:
undetectable		 5o96C-1pguA:
15.77
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		4 GLY B 187
GLY B 169
LEU B 190
THR B 147
 None
 0.77A 5o96C-1poiB:
undetectable		 5o96C-1poiB:
19.93
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.
1py5 TGF-BETA RECEPTOR
TYPE I

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		5 LEU A 334
GLY A 374
SER A 336
LEU A 406
ALA A 403
 None
 1.36A 5o96C-1py5A:
undetectable		 5o96C-1py5A:
23.77
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		4 GLY A 574
GLY A 572
SER A 654
THR A 467
 None
 0.77A 5o96C-1q3xA:
undetectable		 5o96C-1q3xA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 LEU H  13
GLY H  11
GLY H 118
ALA H 163
 None
 0.73A 5o96C-1q5qH:
undetectable		 5o96C-1q5qH:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 LEU H  13
GLY H  11
GLY H 118
ALA H 163
 None
 0.66A 5o96C-1q5rH:
undetectable		 5o96C-1q5rH:
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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		5 LEU A 164
GLY A 341
SER A 165
LEU A 307
THR A 308
 None
 1.41A 5o96C-1r8gA:
undetectable		 5o96C-1r8gA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rhc F420-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Methanoculleus
thermophilus) 		PF00296
(Bac_luciferase) 		4 GLY A 105
GLY A 107
THR A 129
ALA A 132
 F42  A 351 ( 4.0A)
F42  A 351 (-3.2A)
None
None
 0.76A 5o96C-1rhcA:
3.7		 5o96C-1rhcA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT

(Thauera
aromatica;
Thauera
aromatica) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C)
PF00111
(Fer2)
PF01799
(Fer2_2) 		4 LEU C 130
GLY C 132
GLY B 103
ALA C 110
 None
 0.75A 5o96C-1sb3C:
undetectable		 5o96C-1sb3C:
23.27
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.
1sky F1-ATPASE

(Bacillus sp.
PS3) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 GLY B 311
GLY B 309
SER B 141
ALA B 302
 None
 0.79A 5o96C-1skyB:
undetectable		 5o96C-1skyB:
21.93
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.
1sxl SEX-LETHAL PROTEIN
PROTEIN

(Drosophila
melanogaster) 		PF00076
(RRM_1) 		5 GLY A   7
SER A  73
LEU A  16
THR A  14
ALA A  68
 None
 1.38A 5o96C-1sxlA:
undetectable		 5o96C-1sxlA:
22.41
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		4 GLY A 218
GLY A 221
LEU A 229
ALA A 230
 None
 0.72A 5o96C-1u7gA:
undetectable		 5o96C-1u7gA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		4 GLY A 122
GLY A 127
LEU A 151
ALA A 156
 SAM  A 400 (-3.2A)
SAM  A 400 (-3.8A)
SAM  A 400 (-4.0A)
SAM  A 400 (-3.5A)
 0.72A 5o96C-1v2xA:
12.1		 5o96C-1v2xA:
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v6z HYPOTHETICAL PROTEIN
TTHA0657

(Thermus
thermophilus) 		PF04452
(Methyltrans_RNA) 		5 GLY A 181
GLY A 185
SER A 203
LEU A 209
ALA A 214
 None
 0.73A 5o96C-1v6zA:
21.2		 5o96C-1v6zA:
34.00
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.
1v71 HYPOTHETICAL PROTEIN
C320.14 IN
CHROMOSOME III

(Schizosaccharomyces
pombe) 		PF00291
(PALP) 		5 GLY A 160
GLY A  60
SER A 308
THR A 163
ALA A 164
 None
None
PLP  A 350 (-2.8A)
None
None
 1.34A 5o96C-1v71A:
2.9		 5o96C-1v71A:
22.32
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.
1v9n MALATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF02615
(Ldh_2) 		4 LEU A 231
GLY A 242
GLY A 245
THR A 158
 GOL  A 403 (-4.3A)
None
None
GOL  A 403 (-3.7A)
 0.77A 5o96C-1v9nA:
undetectable		 5o96C-1v9nA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve5 THREONINE DEAMINASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 GLY A 151
GLY A  54
SER A 303
THR A 154
ALA A 155
 None
None
PLP  A 413 (-2.8A)
None
None
 1.37A 5o96C-1ve5A:
2.2		 5o96C-1ve5A:
23.08
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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		4 GLY A 366
GLY A 199
THR A 368
ALA A 347
 None
 0.69A 5o96C-1vefA:
undetectable		 5o96C-1vefA:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		5 GLY A 204
GLY A 208
LEU A 232
THR A 234
ALA A 237
 None
 0.40A 5o96C-1vhkA:
17.4		 5o96C-1vhkA:
32.32
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 GLY A 673
GLY A 627
SER A 621
THR A 652
ALA A 655
 None
 1.36A 5o96C-1w6jA:
undetectable		 5o96C-1w6jA:
16.10
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.
1wi9 PROTEIN C20ORF116
HOMOLOG

(Mus musculus) 		PF09756
(DDRGK) 		4 LEU A 124
LEU A 130
THR A 132
ALA A 135
 None
 0.72A 5o96C-1wi9A:
undetectable		 5o96C-1wi9A:
15.77
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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		4 GLY A  48
LEU A 256
THR A  26
ALA A  29
 None
 0.65A 5o96C-1woyA:
undetectable		 5o96C-1woyA:
18.29
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.
1x43 SH3 DOMAIN GRB2-LIKE
PROTEIN B1

(Mus musculus) 		PF14604
(SH3_9) 		4 LEU A  55
GLY A  57
GLY A  64
SER A  52
 None
 0.75A 5o96C-1x43A:
undetectable		 5o96C-1x43A:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		5 GLY A 232
GLY A 237
SER A 251
LEU A 261
ALA A 266
 SAM  A 301 (-3.2A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-4.1A)
SAM  A 301 (-3.4A)
 0.58A 5o96C-1x7pA:
12.2		 5o96C-1x7pA:
23.61
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		5 LEU A  12
SER A  14
LEU A  72
THR A  70
ALA A  68
 None
 1.42A 5o96C-1x9sA:
undetectable		 5o96C-1x9sA:
16.50
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		4 LEU A 141
GLY A 145
SER A 137
ALA A 241
 None
 0.74A 5o96C-1xa0A:
3.5		 5o96C-1xa0A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xeb HYPOTHETICAL PROTEIN
PA0115

(Pseudomonas
aeruginosa) 		PF13673
(Acetyltransf_10) 		5 GLY A  91
GLY A  93
SER A   2
LEU A  61
ALA A  87
 None
 1.38A 5o96C-1xebA:
undetectable		 5o96C-1xebA:
19.84
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 LEU A 447
GLY A 445
GLY A 442
ALA A 450
 None
 0.79A 5o96C-1yiqA:
undetectable		 5o96C-1yiqA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yks GENOME POLYPROTEIN
[CONTAINS:
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT]

(Yellow fever
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 GLY A 419
LEU A 233
THR A 229
ALA A 227
 None
 0.73A 5o96C-1yksA:
undetectable		 5o96C-1yksA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z69 COENZYME
F420-DEPENDENT
N(5),N(10)-METHYLENE
TETRAHYDROMETHANOPTE
RIN REDUCTASE

(Methanosarcina
barkeri) 		PF00296
(Bac_luciferase) 		4 GLY A  93
GLY A  95
THR A 114
ALA A 117
 F42  A 328 ( 4.2A)
F42  A 328 (-3.0A)
None
None
 0.74A 5o96C-1z69A:
5.3		 5o96C-1z69A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zao RIO2 SERINE KINASE

(Archaeoglobus
fulgidus) 		PF01163
(RIO1)
PF09202
(Rio2_N) 		4 LEU A  85
GLY A  89
SER A  81
ALA A 171
 None
 0.76A 5o96C-1zaoA:
undetectable		 5o96C-1zaoA:
22.37
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.
2a11 RIBONUCLEASE III

(Mycobacterium
tuberculosis) 		PF14622
(Ribonucleas_3_3) 		4 LEU A 125
GLY A 127
GLY A  47
ALA A  24
 None
 0.78A 5o96C-2a11A:
undetectable		 5o96C-2a11A:
25.95
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.
2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE

(Escherichia
coli) 		PF02734
(Dak2) 		4 GLY A 126
SER A 164
THR A 129
ALA A 194
 None
None
ADP  A1211 (-3.6A)
None
 0.79A 5o96C-2btdA:
undetectable		 5o96C-2btdA:
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.
2c9k PESTICIDAL CRYSTAL
PROTEIN CRY4AA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 LEU A 326
GLY A 564
THR A 562
ALA A 308
 None
 0.60A 5o96C-2c9kA:
undetectable		 5o96C-2c9kA:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfb GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		4 GLY A 260
GLY A 101
LEU A 257
ALA A 290
 None
PLR  A1412 (-3.3A)
None
None
 0.75A 5o96C-2cfbA:
undetectable		 5o96C-2cfbA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 GLY A  50
LEU A 255
THR A  28
ALA A  31
 None
 0.71A 5o96C-2ct8A:
undetectable		 5o96C-2ct8A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cvo PUTATIVE
SEMIALDEHYDE
DEHYDROGENASE

(Oryza sativa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 167
GLY A  85
GLY A  82
SER A 168
ALA A 388
 CSO  A 145 ( 4.9A)
None
None
None
None
 1.24A 5o96C-2cvoA:
2.6		 5o96C-2cvoA:
19.84
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Methanothermobacter
thermautotrophicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 LEU C 464
GLY C 459
SER C 466
THR C 487
ALA C 491
 G  E 953 ( 4.4A)
None
None
None
None
 1.45A 5o96C-2d6fC:
undetectable		 5o96C-2d6fC:
17.46
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.
2d7d UVRABC SYSTEM
PROTEIN B

(Bacillus
subtilis) 		PF00271
(Helicase_C)
PF02151
(UVR)
PF04851
(ResIII)
PF12344
(UvrB) 		4 GLY A 349
GLY A 353
SER A 143
LEU A 377
 None
 0.73A 5o96C-2d7dA:
undetectable		 5o96C-2d7dA:
18.35
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.
2dxq ACETYLTRANSFERASE

(Agrobacterium
fabrum) 		PF00583
(Acetyltransf_1) 		4 GLY A  18
LEU A  33
THR A  35
ALA A  38
 None
 0.55A 5o96C-2dxqA:
undetectable		 5o96C-2dxqA:
21.29
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.
2e7t BASIC AGGLUTININ

(Psophocarpus
tetragonolobus) 		PF00139
(Lectin_legB) 		5 GLY A 104
GLY A 211
LEU A  33
THR A  46
ALA A 208
 A2G  A 400 (-3.5A)
A2G  A 400 (-3.4A)
None
None
None
 1.38A 5o96C-2e7tA:
undetectable		 5o96C-2e7tA:
20.61
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 GLY A 684
GLY A 688
SER A 696
ALA A 702
 None
 0.77A 5o96C-2eaeA:
undetectable		 5o96C-2eaeA:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 LEU A 804
GLY A 735
THR A 851
ALA A 852
 None
 0.78A 5o96C-2eaeA:
undetectable		 5o96C-2eaeA:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eba PUTATIVE
GLUTARYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 247
GLY A  76
LEU A 300
ALA A 321
 None
 0.73A 5o96C-2ebaA:
undetectable		 5o96C-2ebaA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2egw UPF0088 PROTEIN
AQ_165

(Aquifex
aeolicus) 		PF04452
(Methyltrans_RNA) 		4 GLY A 188
LEU A 213
THR A 215
ALA A 218
 SAH  A 300 ( 3.9A)
SAH  A 300 ( 4.0A)
SAH  A 300 ( 4.5A)
SAH  A 300 ( 3.6A)
 0.75A 5o96C-2egwA:
26.4		 5o96C-2egwA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2egw UPF0088 PROTEIN
AQ_165

(Aquifex
aeolicus) 		PF04452
(Methyltrans_RNA) 		6 LEU A 161
GLY A 185
GLY A 189
LEU A 213
THR A 215
ALA A 218
 SAH  A 300 ( 3.7A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 4.0A)
SAH  A 300 ( 4.5A)
SAH  A 300 ( 3.6A)
 0.46A 5o96C-2egwA:
26.4		 5o96C-2egwA:
31.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp. PCC 6803) 		PF02153
(PDH) 		4 LEU A  10
GLY A  12
GLY A   7
ALA A 125
 NAP  A1350 (-4.3A)
None
NAP  A1350 (-3.5A)
None
 0.73A 5o96C-2f1kA:
undetectable		 5o96C-2f1kA:
22.40
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.
2faq PROBABLE
ATP-DEPENDENT DNA
LIGASE

(Pseudomonas
aeruginosa) 		no annotation 4 LEU A 591
GLY A 646
GLY A 594
SER A 590
 None
 0.78A 5o96C-2faqA:
undetectable		 5o96C-2faqA:
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.
2ffh PROTEIN (FFH)

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		4 LEU A 131
LEU A 103
THR A 112
ALA A 115
 None
None
SO4  A 750 (-4.1A)
None
 0.77A 5o96C-2ffhA:
2.4		 5o96C-2ffhA:
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.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 102
GLY A  14
GLY A  11
SER A 103
ALA A 313
 None
None
SO4  A 405 (-3.1A)
SO4  A 402 (-3.7A)
None
 1.06A 5o96C-2g17A:
undetectable		 5o96C-2g17A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE

(Sus scrofa) 		PF05187
(ETF_QO)
PF13450
(NAD_binding_8) 		4 GLY A  47
GLY A  42
SER A 148
ALA A 154
 None
FAD  A 611 (-3.3A)
None
None
 0.77A 5o96C-2gmhA:
2.0		 5o96C-2gmhA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 LEU A 402
GLY A 135
GLY A 136
THR A 133
ALA A 104
 None
 1.23A 5o96C-2hruA:
undetectable		 5o96C-2hruA:
17.51
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.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		4 GLY A 203
GLY A 208
LEU A 237
ALA A 242
 None
 0.65A 5o96C-2i6dA:
13.0		 5o96C-2i6dA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 152
GLY A 155
LEU A 390
THR A 236
ALA A 393
 None
 1.13A 5o96C-2ix4A:
undetectable		 5o96C-2ix4A:
19.67
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.
2lsh SPORE-WALL FUNGAL
HYDROPHOBIN DEWA

(Aspergillus
nidulans) 		PF01185
(Hydrophobin) 		4 GLY A  52
GLY A  49
SER A  65
ALA A  68
 None
 0.73A 5o96C-2lshA:
undetectable		 5o96C-2lshA:
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.
2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 LEU A 131
LEU A 103
THR A 112
ALA A 115
 None
None
GDP  A 900 (-4.2A)
None
 0.71A 5o96C-2ng1A:
2.3		 5o96C-2ng1A:
22.88
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.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 135
GLY A 372
SER A  99
LEU A 130
ALA A  95
 None
None
GOL  A1101 ( 4.6A)
None
None
 1.33A 5o96C-2nqlA:
undetectable		 5o96C-2nqlA:
22.68
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.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		4 LEU A 129
GLY A 134
SER A 126
ALA A 150
 None
 0.79A 5o96C-2o1xA:
2.9		 5o96C-2o1xA:
19.54
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.
2ohf GTP-BINDING PROTEIN
9

(Homo sapiens) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		4 LEU A  23
GLY A 119
GLY A  26
SER A  22
 None
 0.75A 5o96C-2ohfA:
undetectable		 5o96C-2ohfA:
21.73
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 LEU A 185
GLY A 230
GLY A 189
LEU A 214
ALA A 212
 None
 1.27A 5o96C-2pqdA:
undetectable		 5o96C-2pqdA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ptg ENOYL-ACYL CARRIER
REDUCTASE

(Eimeria tenella) 		PF13561
(adh_short_C2) 		4 GLY A 115
GLY A 113
SER A 327
ALA A 374
 None
 0.78A 5o96C-2ptgA:
2.6		 5o96C-2ptgA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pts ADENYLOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		4 GLY A  31
GLY A  25
SER A  73
ALA A  79
 None
 0.79A 5o96C-2ptsA:
undetectable		 5o96C-2ptsA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		4 GLY A  14
GLY A   9
SER A 101
ALA A 107
 None
FAD  A 500 (-3.2A)
None
None
 0.77A 5o96C-2qa2A:
undetectable		 5o96C-2qa2A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qbu PRECORRIN-2
METHYLTRANSFERASE

(Methanothermobacter
thermautotrophicus) 		PF00590
(TP_methylase) 		5 GLY A   9
GLY A 130
SER A  15
THR A 101
ALA A  45
 None
 1.22A 5o96C-2qbuA:
undetectable		 5o96C-2qbuA:
24.72
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.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		4 LEU A 200
LEU A 167
THR A 169
ALA A 168
 None
 0.77A 5o96C-2uy3A:
undetectable		 5o96C-2uy3A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 GLY A 396
GLY A 400
LEU A 453
THR A 451
ALA A 452
 None
 1.30A 5o96C-2waeA:
undetectable		 5o96C-2waeA:
16.32
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.
2wu5 SUCCINATE
DEHYDROGENASE
CYTOCHROME B556
SUBUNIT

(Escherichia
coli) 		PF01127
(Sdh_cyt) 		4 GLY C 125
LEU C  81
THR C  79
ALA C  82
 None
 0.79A 5o96C-2wu5C:
undetectable		 5o96C-2wu5C:
18.29
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.
2www METHYLMALONIC
ACIDURIA TYPE A
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF03308
(ArgK) 		5 GLY A 155
GLY A 153
SER A 291
THR A 158
ALA A 329
 GDP  A 600 (-3.4A)
GDP  A 600 (-3.5A)
None
GDP  A 600 (-3.3A)
GDP  A 600 (-4.0A)
 1.43A 5o96C-2wwwA:
undetectable		 5o96C-2wwwA:
22.41
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 LEU A 102
GLY A 100
GLY A  60
ALA A 105
 None
GOL  A 770 ( 4.3A)
COA  A 760 ( 4.0A)
None
 0.78A 5o96C-2x58A:
undetectable		 5o96C-2x58A:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xxl GRAM-POSITIVE
SPECIFIC SERINE
PROTEASE, ISOFORM B

(Drosophila
melanogaster) 		PF00089
(Trypsin)
PF12032
(CLIP) 		4 LEU A 354
GLY A 356
GLY A 306
ALA A 293
 None
 0.73A 5o96C-2xxlA:
undetectable		 5o96C-2xxlA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		4 GLY A 225
SER A 158
THR A 223
ALA A  43
 None
 0.78A 5o96C-2y8uA:
4.3		 5o96C-2y8uA:
22.92
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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 LEU A  34
GLY A  36
GLY A  38
ALA A 187
 None
 0.56A 5o96C-2yeqA:
undetectable		 5o96C-2yeqA:
17.36