SIMILAR PATTERNS OF AMINO ACIDS FOR 3BF1_A_PAUA248

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 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
None
None
 1.01A 3bf1A-1eblA:
undetectable
3bf1B-1eblA:
undetectable		 3bf1A-1eblA:
23.08
3bf1B-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.
1gyd ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE A

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		5 ASN B 272
GLY B 178
ILE B 220
LYS B 181
LEU B 180
 None
 1.39A 3bf1A-1gydB:
undetectable
3bf1B-1gydB:
undetectable		 3bf1A-1gydB:
21.60
3bf1B-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 ASN A 204
GLY A 166
ASP A 170
LEU A 200
THR A 141
 None
 1.41A 3bf1A-1kclA:
undetectable
3bf1B-1kclA:
undetectable		 3bf1A-1kclA:
15.87
3bf1B-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.
1kpb HUMAN PROTEIN KINASE
C INTERACTING
PROTEIN 1 (ZINC
PROTEIN)

(Homo sapiens) 		PF01230
(HIT) 		5 VAL A 115
GLY A  81
ILE A  32
THR A  50
LEU A  88
 None
 1.19A 3bf1A-1kpbA:
undetectable
3bf1B-1kpbA:
undetectable		 3bf1A-1kpbA:
19.76
3bf1B-1kpbA:
19.76
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.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 ASN A 380
GLY A 153
THR A 146
ILE A 167
LEU A 181
 None
 1.19A 3bf1A-1m54A:
undetectable
3bf1B-1m54A:
0.9		 3bf1A-1m54A:
22.31
3bf1B-1m54A:
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 GLY A  34
ASP A  32
THR A 218
ILE A 300
THR A 213
 None
 1.37A 3bf1A-1mppA:
undetectable
3bf1B-1mppA:
undetectable		 3bf1A-1mppA:
21.24
3bf1B-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.
1p2z HEXON PROTEIN

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 725
ASP A 724
THR A 703
LEU A 698
THR A 696
 None
 1.31A 3bf1A-1p2zA:
undetectable
3bf1B-1p2zA:
undetectable		 3bf1A-1p2zA:
14.15
3bf1B-1p2zA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		5 GLY A 376
ILE A 362
THR A 396
LEU A 392
THR A 388
 None
 1.04A 3bf1A-1qguA:
undetectable
3bf1B-1qguA:
undetectable		 3bf1A-1qguA:
19.17
3bf1B-1qguA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A 105
ARG A 134
ILE A 101
LEU A 108
THR A 130
 None
 1.37A 3bf1A-1sjjA:
undetectable
3bf1B-1sjjA:
undetectable		 3bf1A-1sjjA:
14.41
3bf1B-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 GLY A 142
ASP A 141
THR A 165
LEU A 216
THR A 168
 None
 1.00A 3bf1A-1smlA:
undetectable
3bf1B-1smlA:
undetectable		 3bf1A-1smlA:
20.47
3bf1B-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.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Thermotoga
maritima) 		PF01008
(IF-2B) 		5 ASN A 155
GLY A 165
ILE A 171
THR A 198
LEU A 202
 None
 1.27A 3bf1A-1t9kA:
undetectable
3bf1B-1t9kA:
undetectable		 3bf1A-1t9kA:
22.16
3bf1B-1t9kA:
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.
1u0l PROBABLE GTPASE ENGC

(Thermotoga
maritima) 		PF03193
(RsgA_GTPase)
PF16745
(RsgA_N) 		5 ASN A 117
VAL A  85
ILE A 183
THR A 146
LEU A 157
 GDP  A 299 (-3.1A)
None
None
None
None
 1.38A 3bf1A-1u0lA:
undetectable
3bf1B-1u0lA:
undetectable		 3bf1A-1u0lA:
25.08
3bf1B-1u0lA:
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 VAL A 383
GLY A 387
THR A 318
ILE A 326
LEU A 331
 None
 1.41A 3bf1A-1v8bA:
undetectable
3bf1B-1v8bA:
2.2		 3bf1A-1v8bA:
19.96
3bf1B-1v8bA:
19.96
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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		5 ASN A 140
THR A 133
ILE A 159
LEU A 177
THR A 186
 None
 1.03A 3bf1A-1vhnA:
undetectable
3bf1B-1vhnA:
undetectable		 3bf1A-1vhnA:
23.46
3bf1B-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 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.33A 3bf1A-1wnbA:
undetectable
3bf1B-1wnbA:
undetectable		 3bf1A-1wnbA:
21.47
3bf1B-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 GLY A 350
THR A 223
ILE A 222
LEU A 139
THR A 344
 None
 1.32A 3bf1A-1wuuA:
undetectable
3bf1B-1wuuA:
undetectable		 3bf1A-1wuuA:
20.49
3bf1B-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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A 994
VAL A 952
GLY A1185
ASP A1146
THR A1151
 None
 1.33A 3bf1A-1yguA:
undetectable
3bf1B-1yguA:
undetectable		 3bf1A-1yguA:
17.62
3bf1B-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 GLY A 116
ASP A 142
ILE A  41
LEU A  88
THR A  67
 None
 1.23A 3bf1A-1ytlA:
1.9
3bf1B-1ytlA:
1.7		 3bf1A-1ytlA:
21.18
3bf1B-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.
2cjq RNA-DIRECTED RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		5 ASN A 614
THR A 627
ILE A 148
THR A 519
LEU A 523
 None
 1.41A 3bf1A-2cjqA:
undetectable
3bf1B-2cjqA:
undetectable		 3bf1A-2cjqA:
16.69
3bf1B-2cjqA:
16.69
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.
2d4v ISOCITRATE
DEHYDROGENASE

(Acidithiobacillus
thiooxidans) 		PF00180
(Iso_dh) 		5 ASN A 115
GLY A  71
ASP A  35
ILE A  32
THR A  88
 NAD  A2001 ( 2.8A)
None
None
None
None
 1.38A 3bf1A-2d4vA:
undetectable
3bf1B-2d4vA:
undetectable		 3bf1A-2d4vA:
20.61
3bf1B-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 ASP A  43
ARG A  48
ILE A 477
LYS A 518
LEU A 517
 None
 1.16A 3bf1A-2du7A:
undetectable
3bf1B-2du7A:
undetectable		 3bf1A-2du7A:
19.60
3bf1B-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.
2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 VAL A 363
GLY A 420
THR A 402
ILE A 376
LEU A 373
 None
 1.34A 3bf1A-2ehqA:
undetectable
3bf1B-2ehqA:
2.4		 3bf1A-2ehqA:
21.37
3bf1B-2ehqA:
21.37
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.
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
 0.63A 3bf1A-2f9tA:
24.1
3bf1B-2f9tA:
24.2		 3bf1A-2f9tA:
27.37
3bf1B-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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 VAL A 245
ILE A 271
THR A 281
LEU A 277
THR A 257
 None
 1.38A 3bf1A-2ggqA:
undetectable
3bf1B-2ggqA:
undetectable		 3bf1A-2ggqA:
22.08
3bf1B-2ggqA:
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		5 VAL A 254
GLY A 234
THR A 249
ILE A 244
LEU A 264
 None
 1.16A 3bf1A-2grvA:
undetectable
3bf1B-2grvA:
undetectable		 3bf1A-2grvA:
18.08
3bf1B-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 GLY A  92
THR A  66
ILE A  65
LEU A  28
THR A 327
 None
 1.22A 3bf1A-2j6iA:
undetectable
3bf1B-2j6iA:
undetectable		 3bf1A-2j6iA:
20.32
3bf1B-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
 0.54A 3bf1A-2nrhA:
18.1
3bf1B-2nrhA:
18.2		 3bf1A-2nrhA:
23.79
3bf1B-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.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 690
ASP A 689
THR A 668
LEU A 663
THR A 661
 None
 1.32A 3bf1A-2obeA:
undetectable
3bf1B-2obeA:
undetectable		 3bf1A-2obeA:
13.62
3bf1B-2obeA:
13.62
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.
2obi PHOSPHOLIPID
HYDROPEROXIDE
GLUTATHIONE
PEROXIDASE (GPX4)

(Homo sapiens) 		PF00255
(GSHPx) 		5 VAL A 149
GLY A 126
ARG A 152
THR A 139
ILE A 134
 None
 1.27A 3bf1A-2obiA:
undetectable
3bf1B-2obiA:
undetectable		 3bf1A-2obiA:
20.56
3bf1B-2obiA:
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.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		5 THR A 342
ILE A 339
LYS A 204
LEU A 205
THR A 372
 None
 1.11A 3bf1A-2punA:
undetectable
3bf1B-2punA:
undetectable		 3bf1A-2punA:
23.00
3bf1B-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 VAL A 288
THR A 140
ILE A   8
LEU A 281
THR A 144
 None
None
FAD  A 480 (-4.7A)
FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
 1.15A 3bf1A-2qaeA:
undetectable
3bf1B-2qaeA:
2.0		 3bf1A-2qaeA:
19.11
3bf1B-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 ASN A 294
VAL A 328
GLY A 326
ASP A 333
THR A 273
 None
 1.28A 3bf1A-2qghA:
undetectable
3bf1B-2qghA:
undetectable		 3bf1A-2qghA:
20.37
3bf1B-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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 VAL A 406
GLY A 417
ILE A 265
THR A 365
LEU A 280
 None
 1.03A 3bf1A-2r66A:
2.4
3bf1B-2r66A:
2.3		 3bf1A-2r66A:
19.56
3bf1B-2r66A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		5 GLY A  40
ASP A  38
THR A 240
ILE A 329
THR A 235
 None
 1.38A 3bf1A-2rmpA:
undetectable
3bf1B-2rmpA:
undetectable		 3bf1A-2rmpA:
20.96
3bf1B-2rmpA:
20.96
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 ASN A 100
GLY A 365
ASP A 366
THR A  95
THR A 362
 None
 1.30A 3bf1A-2xziA:
undetectable
3bf1B-2xziA:
undetectable		 3bf1A-2xziA:
21.99
3bf1B-2xziA:
21.99
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.
2z0q RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 3

(Mus musculus) 		PF00621
(RhoGEF) 		5 ASN A 171
GLY A  88
THR A  84
ILE A  17
THR A 167
 None
 1.38A 3bf1A-2z0qA:
undetectable
3bf1B-2z0qA:
undetectable		 3bf1A-2z0qA:
19.95
3bf1B-2z0qA:
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ASN A 212
VAL A 171
GLY A 168
THR A 137
LEU A 138
 None
None
None
None
MYA  A   1 ( 4.6A)
 1.17A 3bf1A-3b96A:
undetectable
3bf1B-3b96A:
undetectable		 3bf1A-3b96A:
18.65
3bf1B-3b96A:
18.65
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)
 0.21A 3bf1A-3bexA:
41.3
3bf1B-3bexA:
41.2		 3bf1A-3bexA:
100.00
3bf1B-3bexA:
100.00
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) 		5 ILE A 183
THR A 160
LYS A 162
LEU A 163
THR A 179
 None
 1.41A 3bf1A-3bexA:
41.3
3bf1B-3bexA:
41.2		 3bf1A-3bexA:
100.00
3bf1B-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 ASN A  46
VAL A  50
THR A 129
ILE A 127
LEU A  88
 None
 1.33A 3bf1A-3ciaA:
undetectable
3bf1B-3ciaA:
undetectable		 3bf1A-3ciaA:
17.47
3bf1B-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
 0.76A 3bf1A-3djcA:
30.3
3bf1B-3djcA:
30.4		 3bf1A-3djcA:
36.69
3bf1B-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.
3fs1 HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ARG A 258
ILE A 338
THR A 224
LEU A 263
THR A 334
 None
 1.27A 3bf1A-3fs1A:
undetectable
3bf1B-3fs1A:
undetectable		 3bf1A-3fs1A:
20.51
3bf1B-3fs1A:
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.
3gfo COBALT IMPORT
ATP-BINDING PROTEIN
CBIO 1

(Clostridium
perfringens) 		PF00005
(ABC_tran) 		5 GLY A 154
ASP A 103
ILE A 131
LEU A 126
THR A 129
 None
 1.39A 3bf1A-3gfoA:
undetectable
3bf1B-3gfoA:
undetectable		 3bf1A-3gfoA:
23.78
3bf1B-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.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 VAL A 232
GLY A  24
ILE A  77
LEU A  21
THR A  52
 None
 1.09A 3bf1A-3l5oA:
undetectable
3bf1B-3l5oA:
undetectable		 3bf1A-3l5oA:
23.02
3bf1B-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.
3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE

(Desulfovibrio
vulgaris) 		PF00877
(NLPC_P60)
PF12912
(N_NLPC_P60)
PF12913
(SH3_6)
PF12914
(SH3_7) 		5 VAL A 277
THR A 261
ILE A 239
LEU A 293
THR A 244
 None
 1.41A 3bf1A-3m1uA:
undetectable
3bf1B-3m1uA:
undetectable		 3bf1A-3m1uA:
21.36
3bf1B-3m1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mx0 EPHRIN TYPE-A
RECEPTOR 2

(Homo sapiens) 		PF00041
(fn3)
PF01404
(Ephrin_lbd) 		5 ASN A  84
VAL A  86
ILE A  96
THR A  83
LEU A 180
 None
 1.19A 3bf1A-3mx0A:
undetectable
3bf1B-3mx0A:
undetectable		 3bf1A-3mx0A:
20.19
3bf1B-3mx0A:
20.19
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.
3nwu SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF13365
(Trypsin_2) 		5 GLY A 276
THR A 319
ILE A 317
LEU A 273
THR A 300
 None
 1.37A 3bf1A-3nwuA:
undetectable
3bf1B-3nwuA:
undetectable		 3bf1A-3nwuA:
23.97
3bf1B-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 VAL A 182
GLY A  39
ILE A 104
LEU A  94
THR A  96
 None
 1.06A 3bf1A-3oc9A:
undetectable
3bf1B-3oc9A:
undetectable		 3bf1A-3oc9A:
21.92
3bf1B-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.
3pc3 CG1753, ISOFORM A

(Drosophila
melanogaster) 		PF00291
(PALP)
PF00571
(CBS) 		5 ASN A 349
GLY A 122
THR A 115
ILE A 136
LEU A 150
 None
None
P1T  A 702 (-3.7A)
None
None
 1.21A 3bf1A-3pc3A:
undetectable
3bf1B-3pc3A:
undetectable		 3bf1A-3pc3A:
18.63
3bf1B-3pc3A:
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.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		5 ASN A 334
VAL A 143
ILE A 115
LEU A 121
THR A 138
 None
 1.02A 3bf1A-3qufA:
undetectable
3bf1B-3qufA:
undetectable		 3bf1A-3qufA:
20.43
3bf1B-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 VAL A  57
GLY A 112
ILE A  41
LEU A  67
THR A 138
 None
 1.19A 3bf1A-3uhjA:
undetectable
3bf1B-3uhjA:
undetectable		 3bf1A-3uhjA:
21.00
3bf1B-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.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 ASN A 103
VAL A  82
THR A 147
LEU A 143
THR A  91
 None
 1.14A 3bf1A-3uxyA:
undetectable
3bf1B-3uxyA:
undetectable		 3bf1A-3uxyA:
22.46
3bf1B-3uxyA:
22.46
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.
3vla EDGP

(Daucus carota) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 VAL A 287
THR A 277
ILE A 374
LEU A 332
THR A 268
 None
 1.34A 3bf1A-3vlaA:
undetectable
3bf1B-3vlaA:
undetectable		 3bf1A-3vlaA:
21.58
3bf1B-3vlaA:
21.58
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.
3x05 PHOSPHATIDYLINOSITOL
5-PHOSPHATE 4-KINASE
TYPE-2 BETA

(Homo sapiens) 		PF01504
(PIP5K) 		5 VAL A 200
GLY A 185
ARG A 107
ILE A  54
THR A  53
 None
 1.30A 3bf1A-3x05A:
undetectable
3bf1B-3x05A:
undetectable		 3bf1A-3x05A:
20.51
3bf1B-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.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 670
ASP A 669
THR A 648
LEU A 643
THR A 641
 None
 1.31A 3bf1A-3zifA:
undetectable
3bf1B-3zifA:
undetectable		 3bf1A-3zifA:
13.75
3bf1B-3zifA:
13.75
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.
4b8j IMPORTIN SUBUNIT
ALPHA-1A

(Oryza sativa) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 VAL A 280
GLY A 284
ILE A 251
THR A 307
LEU A 289
 None
 1.36A 3bf1A-4b8jA:
undetectable
3bf1B-4b8jA:
undetectable		 3bf1A-4b8jA:
20.61
3bf1B-4b8jA:
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.
4c7o SIGNAL RECOGNITION
PARTICLE PROTEIN

(Escherichia
coli) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY A 107
THR A 191
ILE A 205
THR A 217
LEU A 240
 None
 1.35A 3bf1A-4c7oA:
undetectable
3bf1B-4c7oA:
1.9		 3bf1A-4c7oA:
22.91
3bf1B-4c7oA:
22.91
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.
4d9r COMPLEMENT FACTOR D

(Homo sapiens) 		PF00089
(Trypsin) 		5 THR A  98
ILE A  99
THR A 177
LEU A 180
THR A 214
 None
 1.22A 3bf1A-4d9rA:
undetectable
3bf1B-4d9rA:
undetectable		 3bf1A-4d9rA:
19.47
3bf1B-4d9rA:
19.47
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		5 VAL A   6
GLY A  13
THR A 483
THR A   4
LEU A  20
 None
 1.28A 3bf1A-4dgkA:
undetectable
3bf1B-4dgkA:
undetectable		 3bf1A-4dgkA:
18.70
3bf1B-4dgkA:
18.70
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.
4ecm GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Bacillus
anthracis) 		PF00483
(NTP_transferase) 		5 ASN A 230
GLY A 221
ILE A  17
LEU A  26
THR A  18
 None
 1.40A 3bf1A-4ecmA:
undetectable
3bf1B-4ecmA:
undetectable		 3bf1A-4ecmA:
22.71
3bf1B-4ecmA:
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.
4fk8 FERREDOXIN--NADP
REDUCTASE

(Burkholderia
thailandensis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLY A 204
ILE A 210
THR A 156
LEU A 128
THR A 243
 None
 1.14A 3bf1A-4fk8A:
undetectable
3bf1B-4fk8A:
3.5		 3bf1A-4fk8A:
22.45
3bf1B-4fk8A:
22.45
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.
4hpe PUTATIVE CELL WALL
HYDROLASE
TN916-LIKE,CTN1-ORF1
7

(Clostridioides
difficile) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		5 VAL A  51
GLY A  84
ILE A 109
LYS A  53
THR A 105
 None
 1.32A 3bf1A-4hpeA:
undetectable
3bf1B-4hpeA:
undetectable		 3bf1A-4hpeA:
22.43
3bf1B-4hpeA:
22.43
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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		5 ASN B 250
VAL B 187
GLY B 184
ILE B 215
LEU B 253
 None
 1.33A 3bf1A-4i0wB:
undetectable
3bf1B-4i0wB:
undetectable		 3bf1A-4i0wB:
20.92
3bf1B-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 ASP A 140
THR A 126
ILE A 122
LEU A 114
THR A 224
 None
 1.27A 3bf1A-4idmA:
2.4
3bf1B-4idmA:
2.3		 3bf1A-4idmA:
18.02
3bf1B-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.
4iqr HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ARG A 258
ILE A 338
THR A 224
LEU A 263
THR A 334
 None
 1.30A 3bf1A-4iqrA:
undetectable
3bf1B-4iqrA:
undetectable		 3bf1A-4iqrA:
21.63
3bf1B-4iqrA:
21.63
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 VAL A 538
GLY A 543
THR A 601
ILE A 546
THR A 515
 None
 1.28A 3bf1A-4issA:
undetectable
3bf1B-4issA:
undetectable		 3bf1A-4issA:
17.51
3bf1B-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 ASN A 337
GLY A 322
THR A 192
ILE A 190
LEU A 325
 None
None
FAD  A 601 (-3.6A)
None
None
 1.31A 3bf1A-4j57A:
2.2
3bf1B-4j57A:
undetectable		 3bf1A-4j57A:
18.45
3bf1B-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.
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)
 1.16A 3bf1A-4lfnA:
undetectable
3bf1B-4lfnA:
undetectable		 3bf1A-4lfnA:
22.31
3bf1B-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 VAL A  16
GLY A  28
ILE A  52
LEU A  92
THR A  44
 None
 1.23A 3bf1A-4m7gA:
undetectable
3bf1B-4m7gA:
undetectable		 3bf1A-4m7gA:
21.01
3bf1B-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 VAL A 146
GLY A 144
ILE A 118
LEU A  24
THR A 116
 None
None
None
None
RAR  A 200 (-4.4A)
 1.28A 3bf1A-4m7vA:
undetectable
3bf1B-4m7vA:
undetectable		 3bf1A-4m7vA:
20.16
3bf1B-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 ASN A 133
VAL A 174
GLY A 223
ILE A 147
LEU A 233
 None
 1.08A 3bf1A-4mx3A:
undetectable
3bf1B-4mx3A:
undetectable		 3bf1A-4mx3A:
22.66
3bf1B-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.
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)
 0.42A 3bf1A-4o5fA:
18.3
3bf1B-4o5fA:
17.6		 3bf1A-4o5fA:
24.82
3bf1B-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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 VAL A 168
GLY A 180
THR A 188
ILE A 219
THR A 218
 None
 1.24A 3bf1A-4q73A:
1.3
3bf1B-4q73A:
undetectable		 3bf1A-4q73A:
14.64
3bf1B-4q73A:
14.64
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.
4qgo DNA-ENTRY NUCLEASE
(COMPETENCE-SPECIFIC
NUCLEASE)

(Streptococcus
agalactiae) 		PF01223
(Endonuclease_NS) 		5 ASN A 244
VAL A 221
GLY A 130
ILE A 258
THR A 175
 None
 1.39A 3bf1A-4qgoA:
undetectable
3bf1B-4qgoA:
undetectable		 3bf1A-4qgoA:
18.55
3bf1B-4qgoA:
18.55
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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		5 VAL A 440
GLY A 347
ASP A 253
THR A 481
THR A 261
 None
 1.35A 3bf1A-4r12A:
undetectable
3bf1B-4r12A:
undetectable		 3bf1A-4r12A:
17.59
3bf1B-4r12A:
17.59
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 VAL A 583
GLY A 569
THR A 608
ILE A 598
LEU A 557
 None
 1.19A 3bf1A-4sliA:
undetectable
3bf1B-4sliA:
undetectable		 3bf1A-4sliA:
16.96
3bf1B-4sliA:
16.96
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 213
THR A 201
THR A  15
LEU A 517
THR A 137
 None
None
FAD  A 700 (-3.8A)
None
None
 1.28A 3bf1A-4udrA:
undetectable
3bf1B-4udrA:
undetectable		 3bf1A-4udrA:
19.74
3bf1B-4udrA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 VAL A 370
GLY A 375
THR A 423
ILE A 419
LEU A 348
 None
 1.22A 3bf1A-4w1wA:
2.1
3bf1B-4w1wA:
undetectable		 3bf1A-4w1wA:
18.88
3bf1B-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.
4z19 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Yersinia pestis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 None
 1.03A 3bf1A-4z19A:
undetectable
3bf1B-4z19A:
undetectable		 3bf1A-4z19A:
24.04
3bf1B-4z19A:
24.04
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.
4zky PYRIDOXAMINE
5-PHOSPHATE OXIDASE

(Mycolicibacterium
smegmatis) 		PF01243
(Putative_PNPOx) 		5 THR A  99
ILE A 130
THR A  20
LEU A  18
THR A  50
 None
 1.40A 3bf1A-4zkyA:
undetectable
3bf1B-4zkyA:
undetectable		 3bf1A-4zkyA:
20.00
3bf1B-4zkyA:
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.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 VAL A 484
ASP A 458
ARG A 457
ILE A 522
THR A 492
 None
 1.34A 3bf1A-4zlgA:
undetectable
3bf1B-4zlgA:
undetectable		 3bf1A-4zlgA:
14.32
3bf1B-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.
5ap8 TSR3

(Sulfolobus
solfataricus) 		PF04034
(Ribo_biogen_C)
PF04068
(RLI) 		5 VAL A  54
GLY A  58
ILE A  61
THR A 110
LEU A 107
 None
 1.32A 3bf1A-5ap8A:
undetectable
3bf1B-5ap8A:
undetectable		 3bf1A-5ap8A:
22.50
3bf1B-5ap8A:
22.50
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.
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)
 0.43A 3bf1A-5b8hA:
26.7
3bf1B-5b8hA:
26.8		 3bf1A-5b8hA:
25.08
3bf1B-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.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 5 VAL A 290
GLY A 298
ASP A 294
ILE A 179
THR A 302
 None
 1.23A 3bf1A-5czcA:
undetectable
3bf1B-5czcA:
undetectable		 3bf1A-5czcA:
22.44
3bf1B-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 ASN A 315
GLY A 338
ILE A 406
LEU A 302
THR A 402
 None
 1.29A 3bf1A-5d0nA:
3.4
3bf1B-5d0nA:
3.2		 3bf1A-5d0nA:
20.91
3bf1B-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.
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG

(Homo sapiens) 		PF02724
(CDC45) 		5 ASN A  76
GLY A 223
ASP A 226
ILE A 233
THR A 100
 None
 1.30A 3bf1A-5dgoA:
undetectable
3bf1B-5dgoA:
undetectable		 3bf1A-5dgoA:
16.79
3bf1B-5dgoA:
16.79
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 251
THR A 105
ILE A  14
LEU A  24
THR A 369
 None
 1.31A 3bf1A-5erbA:
undetectable
3bf1B-5erbA:
undetectable		 3bf1A-5erbA:
18.10
3bf1B-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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 VAL A 471
GLY A 452
ARG A 451
THR A 302
THR A 402
 None
 1.04A 3bf1A-5i5dA:
undetectable
3bf1B-5i5dA:
undetectable		 3bf1A-5i5dA:
17.32
3bf1B-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 VAL A 471
GLY A 452
ARG A 451
THR A 302
THR A 402
 None
 1.06A 3bf1A-5i5hA:
1.4
3bf1B-5i5hA:
1.5		 3bf1A-5i5hA:
19.29
3bf1B-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 VAL A 538
GLY A 543
THR A 601
ILE A 546
THR A 515
 None
 1.28A 3bf1A-5i8iA:
undetectable
3bf1B-5i8iA:
undetectable		 3bf1A-5i8iA:
8.89
3bf1B-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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 709
ASP A 708
THR A 687
LEU A 682
THR A 680
 None
 1.28A 3bf1A-5ldnA:
undetectable
3bf1B-5ldnA:
undetectable		 3bf1A-5ldnA:
14.08
3bf1B-5ldnA:
14.08
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 VAL A 587
THR A 645
ILE A 644
THR A 636
LEU A 617
 None
 1.01A 3bf1A-5m59A:
undetectable
3bf1B-5m59A:
undetectable		 3bf1A-5m59A:
9.26
3bf1B-5m59A:
9.26
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.
5ok4 5,10-METHENYLTETRAHY
DROMETHANOPTERIN
HYDROGENASE

(Methanothermobacter
marburgensis) 		no annotation 5 VAL A  59
GLY A  47
ILE A  37
LEU A 123
THR A  40
 None
 1.38A 3bf1A-5ok4A:
undetectable
3bf1B-5ok4A:
undetectable		 3bf1A-5ok4A:
undetectable
3bf1B-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 ASN B  30
GLY B  33
THR B  56
ILE B  57
LEU B  28
 None
 1.40A 3bf1A-5u9mB:
undetectable
3bf1B-5u9mB:
undetectable		 3bf1A-5u9mB:
22.86
3bf1B-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.
5ubw DEUBIQUITINASE SSEL

(Salmonella
enterica) 		no annotation 5 GLY A 286
THR A 292
ILE A 293
LEU A 217
THR A 169
 None
 1.30A 3bf1A-5ubwA:
undetectable
3bf1B-5ubwA:
undetectable		 3bf1A-5ubwA:
undetectable
3bf1B-5ubwA:
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.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 5 VAL A 356
GLY A 358
THR A 429
LEU A 426
THR A 443
 None
 1.29A 3bf1A-5vaeA:
undetectable
3bf1B-5vaeA:
undetectable		 3bf1A-5vaeA:
undetectable
3bf1B-5vaeA:
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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		5 VAL A  30
THR A  99
ILE A  94
THR A  81
LEU A  90
 None
 1.39A 3bf1A-5w57A:
undetectable
3bf1B-5w57A:
undetectable		 3bf1A-5w57A:
22.26
3bf1B-5w57A:
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1
ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 GLY A 338
ASP A 339
ILE B 542
THR B  80
LEU B  34
 None
 1.23A 3bf1A-5y58A:
undetectable
3bf1B-5y58A:
undetectable		 3bf1A-5y58A:
undetectable
3bf1B-5y58A:
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.
6az1 RIBOSOMAL PROTEIN S5

(Leishmania
donovani) 		no annotation 5 GLY F 189
THR F 165
LYS F 197
LEU F 200
THR F 210
 None
None
G  1   1 ( 3.1A)
None
None
 1.25A 3bf1A-6az1F:
undetectable
3bf1B-6az1F:
undetectable		 3bf1A-6az1F:
22.30
3bf1B-6az1F:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 5 GLY A  61
ASP A  60
ARG A 173
ILE A 144
LEU A 134
 None
 1.31A 3bf1A-6c0dA:
undetectable
3bf1B-6c0dA:
undetectable		 3bf1A-6c0dA:
undetectable
3bf1B-6c0dA:
undetectable