SIMILAR PATTERNS OF AMINO ACIDS FOR 3BEX_D_PAUD248

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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.01A 3bexC-1eblA:
undetectable
3bexD-1eblA:
undetectable		 3bexC-1eblA:
23.08
3bexD-1eblA:
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		5 LEU A 483
ASN A 537
GLY A 487
ASP A 489
ILE A 530
 None
 1.46A 3bexC-1gq2A:
2.3
3bexD-1gq2A:
0.0		 3bexC-1gq2A:
18.38
3bexD-1gq2A:
18.38
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.
1gyd ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE A

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		5 LYS B 181
LEU B 180
ASN B 272
GLY B 178
ILE B 220
 None
 1.35A 3bexC-1gydB:
undetectable
3bexD-1gydB:
undetectable		 3bexC-1gydB:
21.60
3bexD-1gydB:
21.60
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A 200
THR A 141
ASN A 204
GLY A 166
ASP A 170
 None
 1.39A 3bexC-1kclA:
0.6
3bexD-1kclA:
undetectable		 3bexC-1kclA:
15.87
3bexD-1kclA:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kq0 METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 LEU A 277
THR A 266
VAL A 322
GLY A 367
ILE A 247
 None
 1.44A 3bexC-1kq0A:
undetectable
3bexD-1kq0A:
undetectable		 3bexC-1kq0A:
19.09
3bexD-1kq0A:
19.09
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.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		5 THR A 178
ASN A 212
GLY A 154
THR A 197
ILE A 195
 None
 1.35A 3bexC-1l1jA:
undetectable
3bexD-1l1jA:
undetectable		 3bexC-1l1jA:
23.19
3bexD-1l1jA:
23.19
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 THR A 213
GLY A  34
ASP A  32
THR A 218
ILE A 300
 None
 1.41A 3bexC-1mppA:
undetectable
3bexD-1mppA:
undetectable		 3bexC-1mppA:
21.24
3bexD-1mppA:
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT

(Paracoccus
denitrificans) 		no annotation 5 LEU B 267
THR B 223
VAL B 236
GLY B 220
THR B 246
 None
 1.24A 3bexC-1pbyB:
undetectable
3bexD-1pbyB:
undetectable		 3bexC-1pbyB:
20.57
3bexD-1pbyB:
20.57
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.
1sjj ACTININ

(Gallus gallus) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		5 LEU A 108
THR A 130
GLY A 105
ARG A 134
ILE A 101
 None
 1.38A 3bexC-1sjjA:
undetectable
3bexD-1sjjA:
undetectable		 3bexC-1sjjA:
14.41
3bexD-1sjjA:
14.41
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		5 LEU A 216
THR A 168
GLY A 142
ASP A 141
THR A 165
 None
 1.04A 3bexC-1smlA:
undetectable
3bexD-1smlA:
undetectable		 3bexC-1smlA:
20.47
3bexD-1smlA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		5 LEU A 163
THR A 161
GLY A  84
ARG A  83
ILE A 157
 None
 1.40A 3bexC-1uwwA:
undetectable
3bexD-1uwwA:
undetectable		 3bexC-1uwwA:
21.88
3bexD-1uwwA:
21.88
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.
1v6c ALKALINE SERINE
PROTEASE

(Pseudoalteromonas
sp. AS-11) 		PF00082
(Peptidase_S8)
PF02225
(PA) 		5 THR A 295
ASN A 356
VAL A 354
GLY A 305
ILE A 329
 None
 1.45A 3bexC-1v6cA:
undetectable
3bexD-1v6cA:
undetectable		 3bexC-1v6cA:
19.86
3bexD-1v6cA:
19.86
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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		5 LEU A 177
THR A 186
ASN A 140
THR A 133
ILE A 159
 None
 0.98A 3bexC-1vhnA:
undetectable
3bexD-1vhnA:
undetectable		 3bexC-1vhnA:
23.46
3bexD-1vhnA:
23.46
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.
1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE

(Escherichia
coli) 		PF00171
(Aldedh) 		5 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.35A 3bexC-1wnbA:
undetectable
3bexD-1wnbA:
undetectable		 3bexC-1wnbA:
21.47
3bexD-1wnbA:
21.47
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.
1wuu GALACTOKINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 LEU A 139
THR A 344
GLY A 350
THR A 223
ILE A 222
 None
 1.33A 3bexC-1wuuA:
undetectable
3bexD-1wuuA:
undetectable		 3bexC-1wuuA:
20.49
3bexD-1wuuA:
20.49
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.
1xkd ISOCITRATE
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00180
(Iso_dh) 		5 THR A  95
ASN A 122
GLY A  80
ASP A  44
ILE A  41
 None
NAP  A1001 (-2.8A)
None
None
None
 1.43A 3bexC-1xkdA:
undetectable
3bexD-1xkdA:
undetectable		 3bexC-1xkdA:
22.68
3bexD-1xkdA:
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A 994
VAL A 952
GLY A1185
ASP A1146
THR A1151
 None
 1.28A 3bexC-1yguA:
undetectable
3bexD-1yguA:
undetectable		 3bexC-1yguA:
17.62
3bexD-1yguA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ytl ACETYL-COA
DECARBOXYLASE/SYNTHA
SE COMPLEX EPSILON
SUBUNIT 2

(Archaeoglobus
fulgidus) 		PF02552
(CO_dh) 		5 LEU A  88
THR A  67
GLY A 116
ASP A 142
ILE A  41
 None
 1.23A 3bexC-1ytlA:
1.9
3bexD-1ytlA:
1.8		 3bexC-1ytlA:
21.18
3bexD-1ytlA:
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 LYS A 202
LEU A 199
VAL A 227
GLY A 230
ARG A 231
 None
 1.47A 3bexC-1z05A:
9.3
3bexD-1z05A:
8.6		 3bexC-1z05A:
22.05
3bexD-1z05A:
22.05
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 LYS A 202
LEU A 203
VAL A 227
GLY A 230
ARG A 231
 None
 1.43A 3bexC-1z05A:
9.3
3bexD-1z05A:
8.6		 3bexC-1z05A:
22.05
3bexD-1z05A:
22.05
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.
2d4v ISOCITRATE
DEHYDROGENASE

(Acidithiobacillus
thiooxidans) 		PF00180
(Iso_dh) 		5 THR A  88
ASN A 115
GLY A  71
ASP A  35
ILE A  32
 None
NAD  A2001 ( 2.8A)
None
None
None
 1.37A 3bexC-2d4vA:
undetectable
3bexD-2d4vA:
undetectable		 3bexC-2d4vA:
20.61
3bexD-2d4vA:
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.
2du7 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF01409
(tRNA-synt_2d) 		5 LEU A 517
THR A 475
ASP A  43
ARG A  48
ILE A 477
 None
 1.49A 3bexC-2du7A:
undetectable
3bexD-2du7A:
undetectable		 3bexC-2du7A:
19.60
3bexD-2du7A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  55
GLY A  99
ASP A 101
ARG A 102
THR A 127
ILE A 142
 None
 0.55A 3bexC-2f9tA:
23.9
3bexD-2f9tA:
23.9		 3bexC-2f9tA:
27.37
3bexD-2f9tA:
27.37
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		5 LEU A 264
VAL A 254
GLY A 234
THR A 249
ILE A 244
 None
 1.21A 3bexC-2grvA:
undetectable
3bexD-2grvA:
undetectable		 3bexC-2grvA:
18.08
3bexD-2grvA:
18.08
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.
2j6i FORMATE
DEHYDROGENASE

([Candida]
boidinii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  28
THR A 327
GLY A  92
THR A  66
ILE A  65
 None
 1.23A 3bexC-2j6iA:
undetectable
3bexD-2j6iA:
undetectable		 3bexC-2j6iA:
20.32
3bexD-2j6iA:
20.32
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.
2nrh TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE,
BAF FAMILY

(Campylobacter
jejuni) 		PF03309
(Pan_kinase) 		7 ASN A   8
VAL A  41
GLY A  72
ASP A  74
ARG A  75
THR A  95
ILE A 109
 None
 0.45A 3bexC-2nrhA:
18.2
3bexD-2nrhA:
18.2		 3bexC-2nrhA:
23.79
3bexD-2nrhA:
23.79
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.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		5 LYS A 204
LEU A 205
THR A 372
THR A 342
ILE A 339
 None
 1.11A 3bexC-2punA:
undetectable
3bexD-2punA:
undetectable		 3bexC-2punA:
23.00
3bexD-2punA:
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.11A 3bexC-2qaeA:
undetectable
3bexD-2qaeA:
undetectable		 3bexC-2qaeA:
19.11
3bexD-2qaeA:
19.11
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 THR A 273
ASN A 294
VAL A 328
GLY A 326
ASP A 333
 None
 1.26A 3bexC-2qghA:
undetectable
3bexD-2qghA:
undetectable		 3bexC-2qghA:
20.37
3bexD-2qghA:
20.37
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 LYS A1074
THR A1094
VAL A 817
GLY A 789
ILE A1098
 None
FMN  A2474 (-3.7A)
None
None
None
 1.48A 3bexC-2vdcA:
undetectable
3bexD-2vdcA:
undetectable		 3bexC-2vdcA:
10.12
3bexD-2vdcA:
10.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.04A 3bexC-3bexA:
41.7
3bexD-3bexA:
41.8		 3bexC-3bexA:
100.00
3bexD-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 LEU A  88
ASN A  46
VAL A  50
THR A 129
ILE A 127
 None
 1.33A 3bexC-3ciaA:
undetectable
3bexD-3ciaA:
undetectable		 3bexC-3ciaA:
17.47
3bexD-3ciaA:
17.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		6 ASN A   9
VAL A  64
GLY A 106
ASP A 108
THR A 135
ILE A 150
 None
 0.72A 3bexC-3djcA:
30.3
3bexD-3djcA:
30.3		 3bexC-3djcA:
36.69
3bexD-3djcA:
36.69
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.
3gfo COBALT IMPORT
ATP-BINDING PROTEIN
CBIO 1

(Clostridium
perfringens) 		PF00005
(ABC_tran) 		5 LEU A 126
THR A 129
GLY A 154
ASP A 103
ILE A 131
 None
 1.38A 3bexC-3gfoA:
undetectable
3bexD-3gfoA:
undetectable		 3bexC-3gfoA:
23.78
3bexD-3gfoA:
23.78
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.
3h84 ATPASE GET3

(Saccharomyces
cerevisiae) 		PF02374
(ArsA_ATPase) 		5 LEU A  44
THR A 328
ASN A  82
GLY A  79
ILE A  40
 None
 1.40A 3bexC-3h84A:
undetectable
3bexD-3h84A:
1.2		 3bexC-3h84A:
20.97
3bexD-3h84A:
20.97
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.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 LEU A  21
THR A  52
VAL A 232
GLY A  24
ILE A  77
 None
 1.05A 3bexC-3l5oA:
undetectable
3bexD-3l5oA:
undetectable		 3bexC-3l5oA:
23.02
3bexD-3l5oA:
23.02
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.
3nwu SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF13365
(Trypsin_2) 		5 LEU A 273
THR A 300
GLY A 276
THR A 319
ILE A 317
 None
 1.33A 3bexC-3nwuA:
undetectable
3bexD-3nwuA:
undetectable		 3bexC-3nwuA:
23.97
3bexD-3nwuA:
23.97
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.
3oc9 UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Entamoeba
histolytica) 		PF01704
(UDPGP) 		5 LEU A  94
THR A  96
VAL A 182
GLY A  39
ILE A 104
 None
 1.05A 3bexC-3oc9A:
undetectable
3bexD-3oc9A:
undetectable		 3bexC-3oc9A:
21.92
3bexD-3oc9A:
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.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		5 LEU A 121
THR A 138
ASN A 334
VAL A 143
ILE A 115
 None
 0.99A 3bexC-3qufA:
undetectable
3bexD-3qufA:
undetectable		 3bexC-3qufA:
20.43
3bexD-3qufA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 LEU A  67
THR A 138
VAL A  57
GLY A 112
ILE A  41
 None
 1.16A 3bexC-3uhjA:
undetectable
3bexD-3uhjA:
undetectable		 3bexC-3uhjA:
21.00
3bexD-3uhjA:
21.00
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.
3x05 PHOSPHATIDYLINOSITOL
5-PHOSPHATE 4-KINASE
TYPE-2 BETA

(Homo sapiens) 		PF01504
(PIP5K) 		5 THR A  53
VAL A 200
GLY A 185
ARG A 107
ILE A  54
 None
 1.30A 3bexC-3x05A:
undetectable
3bexD-3x05A:
undetectable		 3bexC-3x05A:
20.51
3bexD-3x05A:
20.51
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 376
THR A 207
VAL A 302
THR A 201
ILE A 203
 None
 1.42A 3bexC-4cw4A:
undetectable
3bexD-4cw4A:
undetectable		 3bexC-4cw4A:
17.97
3bexD-4cw4A:
17.97
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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		5 LEU B 253
ASN B 250
VAL B 187
GLY B 184
ILE B 215
 None
 1.31A 3bexC-4i0wB:
undetectable
3bexD-4i0wB:
undetectable		 3bexC-4i0wB:
20.92
3bexD-4i0wB:
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.
4idm DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 LEU A 114
THR A 224
ASP A 140
THR A 126
ILE A 122
 None
 1.28A 3bexC-4idmA:
undetectable
3bexD-4idmA:
2.3		 3bexC-4idmA:
18.02
3bexD-4idmA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 LEU A 535
THR A 515
VAL A 538
THR A 601
ILE A 546
 None
 1.33A 3bexC-4issA:
undetectable
3bexD-4issA:
undetectable		 3bexC-4issA:
17.51
3bexD-4issA:
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 THR A 515
VAL A 538
GLY A 543
THR A 601
ILE A 546
 None
 1.27A 3bexC-4issA:
undetectable
3bexD-4issA:
undetectable		 3bexC-4issA:
17.51
3bexD-4issA:
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.
4j57 THIOREDOXIN
REDUCTASE 2

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 325
ASN A 337
GLY A 322
THR A 192
ILE A 190
 None
None
None
FAD  A 601 (-3.6A)
None
 1.30A 3bexC-4j57A:
undetectable
3bexD-4j57A:
undetectable		 3bexC-4j57A:
18.45
3bexD-4j57A:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l4y TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 LYS A 274
LEU A 273
ASN A 302
GLY A 298
ILE A 244
 None
 1.42A 3bexC-4l4yA:
undetectable
3bexD-4l4yA:
undetectable		 3bexC-4l4yA:
19.66
3bexD-4l4yA:
19.66
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.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
A
GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
B

(Lactobacillus
rhamnosus;
Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB)
PF02502
(LacAB_rpiB) 		5 ASN A  88
VAL B 110
GLY B 107
ASP B  87
ILE B  69
 None
None
None
None
RBL  B 201 ( 4.7A)
 1.19A 3bexC-4lfnA:
undetectable
3bexD-4lfnA:
undetectable		 3bexC-4lfnA:
22.31
3bexD-4lfnA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		5 LEU A  92
THR A  44
VAL A  16
GLY A  28
ILE A  52
 None
 1.19A 3bexC-4m7gA:
undetectable
3bexD-4m7gA:
undetectable		 3bexC-4m7gA:
21.01
3bexD-4m7gA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 LEU A  24
THR A 116
VAL A 146
GLY A 144
ILE A 118
 None
RAR  A 200 (-4.4A)
None
None
None
 1.28A 3bexC-4m7vA:
undetectable
3bexD-4m7vA:
undetectable		 3bexC-4m7vA:
20.16
3bexD-4m7vA:
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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		5 LEU A 233
ASN A 133
VAL A 174
GLY A 223
ILE A 147
 None
 1.05A 3bexC-4mx3A:
undetectable
3bexD-4mx3A:
undetectable		 3bexC-4mx3A:
22.66
3bexD-4mx3A:
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.
4n13 PHOSPHATE ABC
TRANSPORTER,
PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Borreliella
burgdorferi) 		PF12849
(PBP_like_2) 		5 LEU A  85
ASN A 166
VAL A 169
GLY A 181
ILE A 139
 None
SO4  A 301 (-3.6A)
None
None
None
 1.44A 3bexC-4n13A:
undetectable
3bexD-4n13A:
undetectable		 3bexC-4n13A:
21.05
3bexD-4n13A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		7 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.34A 3bexC-4o5fA:
26.1
3bexD-4o5fA:
26.1		 3bexC-4o5fA:
24.82
3bexD-4o5fA:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 LEU A 348
VAL A 370
GLY A 375
THR A 423
ILE A 419
 None
 1.16A 3bexC-4w1wA:
undetectable
3bexD-4w1wA:
undetectable		 3bexC-4w1wA:
18.88
3bexD-4w1wA:
18.88
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.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 THR A 492
VAL A 484
ASP A 458
ARG A 457
ILE A 522
 None
 1.31A 3bexC-4zlgA:
undetectable
3bexD-4zlgA:
undetectable		 3bexC-4zlgA:
14.32
3bexD-4zlgA:
14.32
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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		7 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.35A 3bexC-5b8hA:
26.7
3bexD-5b8hA:
26.7		 3bexC-5b8hA:
25.08
3bexD-5b8hA:
25.08
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.
5bv5 CYTOCHROME P450 119

(Sulfolobus
solfataricus) 		PF00067
(p450) 		5 LEU A 360
THR A 346
ASP A 224
ARG A 227
ILE A 343
 None
 1.50A 3bexC-5bv5A:
undetectable
3bexD-5bv5A:
undetectable		 3bexC-5bv5A:
23.75
3bexD-5bv5A:
23.75
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.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 5 THR A 302
VAL A 290
GLY A 298
ASP A 294
ILE A 179
 None
 1.22A 3bexC-5czcA:
undetectable
3bexD-5czcA:
undetectable		 3bexC-5czcA:
22.44
3bexD-5czcA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d0n PYRUVATE, PHOSPHATE
DIKINASE REGULATORY
PROTEIN,
CHLOROPLASTIC

(Zea mays) 		PF03618
(Kinase-PPPase) 		5 LEU A 302
THR A 402
ASN A 315
GLY A 338
ILE A 406
 None
 1.29A 3bexC-5d0nA:
3.0
3bexD-5d0nA:
2.9		 3bexC-5d0nA:
20.91
3bexD-5d0nA:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 LEU A 274
ASN A 199
GLY A 226
THR A 295
ILE A 299
 None
None
EDO  A1606 ( 4.1A)
None
None
 1.41A 3bexC-5dotA:
undetectable
3bexD-5dotA:
undetectable		 3bexC-5dotA:
10.28
3bexD-5dotA:
10.28
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A  24
THR A 369
GLY A 251
THR A 105
ILE A  14
 None
 1.34A 3bexC-5erbA:
undetectable
3bexD-5erbA:
undetectable		 3bexC-5erbA:
18.10
3bexD-5erbA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 THR A 162
ASN A 680
VAL A 708
ARG A 160
THR A  55
 None
 1.46A 3bexC-5fp1A:
undetectable
3bexD-5fp1A:
undetectable		 3bexC-5fp1A:
17.50
3bexD-5fp1A:
17.50
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 THR A 402
VAL A 471
GLY A 452
ARG A 451
THR A 302
 None
 1.11A 3bexC-5i5dA:
undetectable
3bexD-5i5dA:
undetectable		 3bexC-5i5dA:
17.32
3bexD-5i5dA:
17.32
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 THR A 402
VAL A 471
GLY A 452
ARG A 451
THR A 302
 None
 1.13A 3bexC-5i5hA:
undetectable
3bexD-5i5hA:
undetectable		 3bexC-5i5hA:
19.29
3bexD-5i5hA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 THR A 515
VAL A 538
GLY A 543
THR A 601
ILE A 546
 None
 1.27A 3bexC-5i8iA:
undetectable
3bexD-5i8iA:
undetectable		 3bexC-5i8iA:
8.89
3bexD-5i8iA:
8.89
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.
5imt INTERMEDILYSIN

(Streptococcus
intermedius) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 LYS A 369
LEU A 368
VAL A 324
THR A 343
ILE A 345
 None
 1.38A 3bexC-5imtA:
undetectable
3bexD-5imtA:
undetectable		 3bexC-5imtA:
17.57
3bexD-5imtA:
17.57
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.
5iz3 PREDICTED PROTEIN

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 LEU B 144
THR B 194
GLY B 105
THR B 110
ILE B 111
 None
 1.37A 3bexC-5iz3B:
undetectable
3bexD-5iz3B:
undetectable		 3bexC-5iz3B:
22.87
3bexD-5iz3B:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ok4 5,10-METHENYLTETRAHY
DROMETHANOPTERIN
HYDROGENASE

(Methanothermobacter
marburgensis) 		no annotation 5 LEU A 123
THR A  40
VAL A  59
GLY A  47
ILE A  37
 None
 1.37A 3bexC-5ok4A:
undetectable
3bexD-5ok4A:
undetectable		 3bexC-5ok4A:
undetectable
3bexD-5ok4A:
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.
5u9m SUPEROXIDE DISMUTASE
1 COPPER CHAPERONE

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu)
PF00403
(HMA) 		5 LEU B  28
ASN B  30
GLY B  33
THR B  56
ILE B  57
 None
 1.35A 3bexC-5u9mB:
undetectable
3bexD-5u9mB:
undetectable		 3bexC-5u9mB:
22.86
3bexD-5u9mB:
22.86
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.
5xsy SODIUM CHANNEL
PROTEIN

(Electrophorus
electricus) 		PF00520
(Ion_trans)
PF06512
(Na_trans_assoc) 		5 LYS A 666
LEU A 667
THR A 573
THR A 580
ILE A 577
 None
 1.43A 3bexC-5xsyA:
undetectable
3bexD-5xsyA:
undetectable		 3bexC-5xsyA:
9.52
3bexD-5xsyA:
9.52
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.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 5 LEU A 134
GLY A  61
ASP A  60
ARG A 173
ILE A 144
 None
 1.33A 3bexC-6c0dA:
undetectable
3bexD-6c0dA:
undetectable		 3bexC-6c0dA:
undetectable
3bexD-6c0dA:
undetectable