SIMILAR PATTERNS OF AMINO ACIDS FOR 4R29_C_SAMC301

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.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		5 ALA A 381
SER A 380
GLY A 376
ALA A 242
GLY A 216
 None
None
ADP  A 421 (-4.0A)
ADP  A 421 ( 4.4A)
None
 1.18A 4r29C-13pkA:
0.0		 4r29C-13pkA:
19.32
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.
1bhe POLYGALACTURONASE

(Pectobacterium
carotovorum) 		PF00295
(Glyco_hydro_28) 		5 ALA A 220
ALA A 227
MET A 253
GLY A 252
PHE A 247
 None
 1.25A 4r29C-1bheA:
0.0		 4r29C-1bheA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eh5 PALMITOYL PROTEIN
THIOESTERASE 1

(Bos taurus) 		PF02089
(Palm_thioest) 		5 SER A  50
ALA A 111
MET A 112
GLY A 113
PHE A 114
 None
 1.28A 4r29C-1eh5A:
undetectable		 4r29C-1eh5A:
19.59
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 ALA A 192
ARG A  78
GLY A 253
GLY A 329
PHE A 184
 None
 1.10A 4r29C-1ex0A:
0.0		 4r29C-1ex0A:
15.24
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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 SER A 150
ALA A 118
GLY A 109
PHE A 110
TYR A 139
 None
 1.25A 4r29C-1fuiA:
0.1		 4r29C-1fuiA:
17.68
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ARG A 429
ALA A 169
GLY A 171
PHE A 164
GLU A 425
 None
MGD  A5001 ( 4.6A)
None
None
None
 1.24A 4r29C-1g8kA:
0.0		 4r29C-1g8kA:
13.72
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.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		5 ARG A 368
ALA A 367
SER A 194
GLY A 120
GLY A 361
 None
 1.20A 4r29C-1jkmA:
0.0		 4r29C-1jkmA:
18.26
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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 ARG A 100
ALA A 103
ALA A 222
GLY A 226
GLU A  97
 None
 1.28A 4r29C-1jqkA:
undetectable		 4r29C-1jqkA:
14.96
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1
METHANOL
DEHYDROGENASE
SUBUNIT 2

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH) 		5 SER B  43
GLY B  41
ALA A 176
GLY A 182
TYR A 183
 None
None
PQQ  A 701 (-2.8A)
None
None
 1.20A 4r29C-1lrwB:
undetectable		 4r29C-1lrwB:
15.56
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.
1n3p LECTIN PAL

(Pterocarpus
angolensis) 		PF00139
(Lectin_legB) 		5 ARG A  49
ALA A 218
GLY A 220
ALA A 112
GLY A 102
 None
None
GLC  A 253 (-3.1A)
None
None
 1.28A 4r29C-1n3pA:
undetectable		 4r29C-1n3pA:
18.32
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  99
GLY H  92
ALA H  84
GLY H 127
TYR H 123
 None
 1.29A 4r29C-1q5qH:
undetectable		 4r29C-1q5qH:
20.72
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  99
GLY H  92
ALA H  84
GLY H 127
TYR H 123
 None
 1.23A 4r29C-1q5rH:
undetectable		 4r29C-1q5rH:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 ARG A 287
GLY A 282
ALA A 366
GLY A 364
GLU A  34
 None
 1.23A 4r29C-1ufaA:
undetectable		 4r29C-1ufaA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ARG A 150
ALA A 181
SER A  18
GLY A  20
ALA A 159
 None
 1.09A 4r29C-1v5fA:
undetectable		 4r29C-1v5fA:
16.92
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 228
GLY A 218
ALA A 238
GLY A 211
TYR A 209
 None
 0.98A 4r29C-1v7vA:
undetectable		 4r29C-1v7vA:
15.60
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.
1vft ALANINE RACEMASE

(Streptomyces
lavendulae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A 356
GLY A 301
ALA A 290
GLY A 292
GLU A 362
 None
 1.19A 4r29C-1vftA:
undetectable		 4r29C-1vftA:
17.05
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus;
Thermus
thermophilus) 		PF02347
(GDC-P)
PF02347
(GDC-P) 		5 ALA B 205
GLY B 153
ALA A 173
GLY B 177
TYR B 178
 None
 1.14A 4r29C-1wytB:
undetectable		 4r29C-1wytB:
18.99
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.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 ALA A 114
SER A 115
GLY A  22
PHE A  21
TYR A 189
 None
 1.23A 4r29C-1yx2A:
undetectable		 4r29C-1yx2A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 ALA A 208
GLY A 204
ALA A 240
GLY A 243
PHE A 205
 None
 1.14A 4r29C-2bfeA:
undetectable		 4r29C-2bfeA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 SER A 159
ARG A  68
GLY A  54
GLY A 100
TYR A 121
 None
None
CA  A1778 ( 4.8A)
None
None
 1.19A 4r29C-2cn3A:
undetectable		 4r29C-2cn3A:
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.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 350
GLY A 318
GLY A 250
PHE A 249
TYR A 257
 None
AMP  A1001 (-3.5A)
None
None
None
 1.18A 4r29C-2d1qA:
undetectable		 4r29C-2d1qA:
16.45
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.
2dby GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 ALA A  34
GLY A  41
ALA A 102
GLY A   5
GLU A  99
 None
 1.15A 4r29C-2dbyA:
undetectable		 4r29C-2dbyA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dna UNNAMED PROTEIN
PRODUCT

(Mus musculus) 		PF00627
(UBA) 		5 ALA A  36
ALA A  28
MET A  29
GLY A  30
PHE A  31
 None
 1.11A 4r29C-2dnaA:
undetectable		 4r29C-2dnaA:
17.37
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.
2gs9 HYPOTHETICAL PROTEIN
TT1324

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 ARG A  76
ALA A  77
GLY A  62
ALA A  68
GLU A  12
 None
 1.11A 4r29C-2gs9A:
undetectable		 4r29C-2gs9A:
17.72
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.
2ldk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF08327
(AHSA1) 		5 ARG A 148
GLY A  42
ALA A 139
MET A 143
GLY A 142
 None
 1.24A 4r29C-2ldkA:
undetectable		 4r29C-2ldkA:
20.09
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A  42
ARG A 267
ALA A  96
GLY A  93
GLU A  64
 None
 1.23A 4r29C-2obyA:
undetectable		 4r29C-2obyA:
21.76
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.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE

(Anopheles
gambiae) 		PF01048
(PNP_UDP_1) 		5 ALA A 198
ARG A 169
GLY A 117
ALA A 301
GLY A 303
 None
PO4  A 503 (-3.9A)
PO4  A 503 (-3.4A)
None
DIH  A 401 (-3.4A)
 1.27A 4r29C-2p4sA:
undetectable		 4r29C-2p4sA:
20.27
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.
2pjr PROTEIN (HELICASE
PCRA)
PROTEIN (HELICASE
PCRA)

(Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C)
PF13361
(UvrD_C) 		5 ALA B 620
SER B 619
ARG B 623
GLY B 579
MET A 367
 None
 1.15A 4r29C-2pjrB:
undetectable		 4r29C-2pjrB:
18.40
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 SER A 154
GLY A 160
ALA A  60
GLY A  58
TYR A  27
 None
 1.05A 4r29C-2q27A:
undetectable		 4r29C-2q27A:
17.11
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.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 GLY A  12
ALA A  98
GLY A  96
PHE A  11
TYR A  91
 SO4  A 318 ( 3.3A)
None
None
None
None
 1.27A 4r29C-2qytA:
undetectable		 4r29C-2qytA:
21.17
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.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 ALA A 134
SER A 133
GLY A 131
ALA A  79
TYR A   8
 None
 1.24A 4r29C-2r5vA:
undetectable		 4r29C-2r5vA:
19.55
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.
2r7m 5-FORMAMINOIMIDAZOLE
-4-CARBOXAMIDE-1-(BE
TA)-D-RIBOFURANOSYL
5'-MONOPHOSPHATE
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		5 ARG A 345
SER A 214
GLY A 292
ALA A  36
GLY A 340
 None
 1.26A 4r29C-2r7mA:
undetectable		 4r29C-2r7mA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhe ACETYLTRANSFERASE

(Campylobacter
jejuni) 		PF00132
(Hexapep) 		5 ALA A   2
ALA A  23
MET A  26
GLY A  27
GLU A   5
 None
 0.95A 4r29C-2vheA:
undetectable		 4r29C-2vheA:
24.61
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.
2zb3 PROSTAGLANDIN
REDUCTASE 2

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 ALA A 164
GLY A 185
GLY A 201
PHE A 202
GLU A 199
 None
 1.20A 4r29C-2zb3A:
undetectable		 4r29C-2zb3A:
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.
3ahx BETA-GLUCOSIDASE A

(Clostridium
cellulovorans) 		PF00232
(Glyco_hydro_1) 		5 ALA A  54
ALA A  46
GLY A 410
PHE A 405
TYR A 411
 None
 1.27A 4r29C-3ahxA:
undetectable		 4r29C-3ahxA:
20.58
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.
3ccu 50S RIBOSOMAL
PROTEIN L37AE

(Haloarcula
marismortui) 		PF01780
(Ribosomal_L37ae) 		5 ARG Z  48
ALA Z  51
SER Z  34
GLY Z  36
GLY Z  43
 None
None
A  0 797 ( 4.7A)
A  0 796 ( 3.4A)
U  01771 ( 3.4A)
 1.28A 4r29C-3ccuZ:
undetectable		 4r29C-3ccuZ:
18.30
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.
3chx PMOB

(Methylosinus
trichosporium) 		PF04744
(Monooxygenase_B) 		5 ALA A 147
GLY A  76
ALA A 332
GLY A 334
GLU A  42
 None
None
None
None
CU  A 712 (-3.4A)
 1.18A 4r29C-3chxA:
undetectable		 4r29C-3chxA:
18.32
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.
3cnj CHOLESTEROL OXIDASE

(Streptomyces
sp. SA-COO) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ALA A 212
SER A 341
ALA A 123
MET A 122
GLY A 121
 None
None
None
FAD  A 510 (-4.0A)
FAD  A 510 (-4.0A)
 1.28A 4r29C-3cnjA:
undetectable		 4r29C-3cnjA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 ALA A 466
SER A 465
GLY A 462
ALA A 227
GLY A 223
 MAN  A 600 (-4.9A)
None
None
None
None
 1.21A 4r29C-3eqaA:
undetectable		 4r29C-3eqaA:
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.
3fhc ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD) 		5 GLY B 143
ALA B 109
MET B 110
GLY B 111
PHE B 112
 None
 1.02A 4r29C-3fhcB:
undetectable		 4r29C-3fhcB:
22.35
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.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 SER A 116
ALA A 109
MET A 110
GLY A 111
PHE A 112
 None
None
None
None
ANP  A 480 (-3.5A)
 1.21A 4r29C-3fhtA:
undetectable		 4r29C-3fhtA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 ALA A 221
GLY A 191
ALA A 162
MET A 163
GLY A 164
 None
SAH  A 350 (-3.6A)
MQA  A 351 (-3.7A)
SAH  A 350 ( 3.7A)
None
 1.16A 4r29C-3gxoA:
undetectable		 4r29C-3gxoA:
19.10
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		6 ALA B 748
GLY B 750
ALA B 826
GLY B 783
PHE B 784
GLU B 778
 None
 1.32A 4r29C-3jb9B:
undetectable		 4r29C-3jb9B:
12.68
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 SER X 615
GLY X 352
ALA X 417
GLY X 395
TYR X 397
 None
 1.28A 4r29C-3kvnX:
undetectable		 4r29C-3kvnX:
14.87
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.
3kz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 11

(Homo sapiens) 		PF00621
(RhoGEF) 		5 ARG A 822
ALA A 821
ARG A 816
ALA A 830
TYR A 919
 None
 1.03A 4r29C-3kz1A:
2.0		 4r29C-3kz1A:
17.90
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.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS

(Streptomyces
sp. CK4412) 		PF00975
(Thioesterase) 		5 ARG A 224
SER A 132
GLY A 135
ALA A 243
TYR A 222
 None
FMT  A3613 (-3.0A)
None
None
None
 1.18A 4r29C-3lcrA:
undetectable		 4r29C-3lcrA:
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.
3lkv UNCHARACTERIZED
CONSERVED DOMAIN
PROTEIN

(Vibrio cholerae) 		PF04392
(ABC_sub_bind) 		5 ALA A  43
ALA A 245
GLY A 259
GLU A 251
TYR A 249
 None
 0.88A 4r29C-3lkvA:
undetectable		 4r29C-3lkvA:
22.55
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.
3lwb D-ALANINE--D-ALANINE
LIGASE

(Mycobacterium
tuberculosis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ALA A 141
SER A 146
GLY A 149
ALA A 302
GLU A 244
 None
 1.26A 4r29C-3lwbA:
undetectable		 4r29C-3lwbA:
19.62
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.
3n0w ABC BRANCHED CHAIN
AMINO ACID FAMILY
TRANSPORTER,
PERIPLASMIC LIGAND
BINDING PROTEIN

(Paraburkholderia
xenovorans) 		PF13458
(Peripla_BP_6) 		5 ARG A 290
ALA A 293
GLY A 296
ALA A 304
GLU A  56
 None
 1.27A 4r29C-3n0wA:
undetectable		 4r29C-3n0wA:
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.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 ALA A  10
GLY A  59
ALA A  40
MET A  41
GLY A  42
 None
 1.00A 4r29C-3ndaA:
undetectable		 4r29C-3ndaA:
21.13
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.
3p7m MALATE DEHYDROGENASE

(Francisella
tularensis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 151
SER A 150
GLY A 146
ALA A 243
GLY A 239
 None
 1.01A 4r29C-3p7mA:
undetectable		 4r29C-3p7mA:
22.29
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.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ARG A 203
ALA A 257
MET A 258
GLY A 259
PHE A 232
 None
 1.15A 4r29C-3pigA:
undetectable		 4r29C-3pigA:
16.60
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.
3rfy PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP38, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00160
(Pro_isomerase) 		5 GLY A 220
ALA A 239
GLY A 237
PHE A 221
TYR A 265
 None
 1.20A 4r29C-3rfyA:
undetectable		 4r29C-3rfyA:
21.14
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 403
SER A 399
GLY A 398
ALA A 380
GLY A 382
 None
 1.20A 4r29C-3rimA:
undetectable		 4r29C-3rimA:
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT K
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli;
Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation
no annotation 		5 ALA N 164
SER N 163
ALA J 155
GLY K  76
GLU K  36
 None
 1.14A 4r29C-3rkoN:
2.8		 4r29C-3rkoN:
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.
3rxy NIF3 PROTEIN

(Sphaerobacter
thermophilus) 		no annotation 5 ARG A 105
GLY A 101
ALA A 210
GLY A 206
GLU A 229
 FMT  A 279 ( 3.8A)
None
None
None
None
 1.27A 4r29C-3rxyA:
undetectable		 4r29C-3rxyA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tjq SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF00219
(IGFBP)
PF07648
(Kazal_2) 		5 ALA A 134
ARG A 137
GLY A  55
ALA A 113
GLY A  86
 SCN  A 163 (-3.3A)
SCN  A 163 ( 4.4A)
SCN  A 163 ( 4.4A)
SCN  A 159 ( 4.6A)
SCN  A 159 ( 3.8A)
 1.28A 4r29C-3tjqA:
undetectable		 4r29C-3tjqA:
20.77
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ARG A  87
ALA A  86
GLY A  84
ALA A 129
MET A 130
 None
None
None
SCN  A 314 ( 4.0A)
None
 1.26A 4r29C-3tl2A:
undetectable		 4r29C-3tl2A:
21.62
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.
3tzw POLYKETIDE SYNTHASE
PKS13

(Mycobacterium
tuberculosis) 		PF00698
(Acyl_transf_1) 		5 ARG A 944
GLY A 935
GLY A 972
PHE A 937
GLU A 942
 None
 1.23A 4r29C-3tzwA:
undetectable		 4r29C-3tzwA:
17.11
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 ARG A 104
SER A  18
GLY A 144
ALA A 209
GLY A 204
 None
None
SO4  A 336 (-3.3A)
None
None
 1.04A 4r29C-3u4gA:
undetectable		 4r29C-3u4gA:
22.82
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ALA A 189
GLY A 347
ALA A 236
GLY A 239
PHE A 240
 None
 1.22A 4r29C-3uw2A:
undetectable		 4r29C-3uw2A:
17.49
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.
3wh7 BETA-GLUCOSIDASE

(metagenomes) 		PF00232
(Glyco_hydro_1) 		5 ALA A 138
SER A 136
GLY A 133
GLY A  89
GLU A 145
 None
 1.16A 4r29C-3wh7A:
undetectable		 4r29C-3wh7A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ALA A 108
GLY A 103
ALA A 132
MET A 133
GLY A 134
 None
 1.14A 4r29C-3zh4A:
undetectable		 4r29C-3zh4A:
21.14
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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		5 GLY A 247
ALA A 255
MET A 254
GLY A 253
PHE A 185
 None
 1.26A 4r29C-3zytA:
undetectable		 4r29C-3zytA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		5 SER A 316
GLY A 315
ALA A 255
GLY A 330
PHE A 331
 None
 1.28A 4r29C-3zytA:
undetectable		 4r29C-3zytA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cr2 26S PROTEASE
REGULATORY SUBUNIT 4
HOMOLOG

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		5 SER I 367
GLY I 363
GLY I 185
GLU I 179
TYR I 181
 None
 0.85A 4r29C-4cr2I:
undetectable		 4r29C-4cr2I:
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.
4fvv NEUROTOXIN

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 SER A 957
GLY A 963
ALA A 929
PHE A1038
GLU A 923
 None
 1.22A 4r29C-4fvvA:
undetectable		 4r29C-4fvvA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ix1 HYPOTHETICAL PROTEIN

(Rhodococcus
opacus) 		no annotation 5 ALA A 234
SER A 118
GLY A 116
ALA A 210
GLY A 208
 None
 1.09A 4r29C-4ix1A:
undetectable		 4r29C-4ix1A:
22.39
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.
4mou ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Paenarthrobacter
aurescens) 		PF00378
(ECH_1) 		5 ALA A 145
GLY A 175
ALA A  72
MET A 119
GLY A 120
 None
 1.07A 4r29C-4mouA:
undetectable		 4r29C-4mouA:
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.
4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00118
(Cpn60_TCP1) 		5 ALA A  92
GLY A  53
ALA A 403
GLY A  86
GLU A  84
 None
 1.28A 4r29C-4pj1A:
1.7		 4r29C-4pj1A:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 GLY A 786
GLY A 447
PHE A 788
GLU A 797
TYR A 798
 None
 1.20A 4r29C-4qi4A:
undetectable		 4r29C-4qi4A:
15.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 11 ALA A  92
SER A  98
ARG A 107
GLY A 110
ALA A 195
MET A 198
GLY A 199
PHE A 202
TYR A 204
GLU A 208
TYR A 212
 SAM  A 301 (-3.7A)
SAM  A 301 (-2.6A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
SAM  A 301 (-4.5A)
None
SAM  A 301 (-3.7A)
 0.26A 4r29C-4r29A:
8.1		 4r29C-4r29A:
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.
4s12 N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Yersinia
enterocolitica) 		PF01380
(SIS) 		5 ALA A 140
SER A 197
GLY A 198
ALA A 109
GLY A  71
 SO4  A 301 (-3.4A)
None
None
None
None
 1.19A 4r29C-4s12A:
undetectable		 4r29C-4s12A:
20.50
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.
4u83 ACYL-COA
DEHYDROGENASE

(Brucella
abortus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 SER A 157
GLY A 161
ALA A 113
MET A 112
GLY A 115
 None
 1.12A 4r29C-4u83A:
4.1		 4r29C-4u83A:
19.10
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.
4wbt PROBABLE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Sinorhizobium
meliloti) 		PF00155
(Aminotran_1_2) 		5 ARG A 142
SER A 115
GLY A 118
ALA A 304
GLY A 170
 None
 0.97A 4r29C-4wbtA:
undetectable		 4r29C-4wbtA:
21.08
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.
4yah D-METHIONINE-BINDING
LIPOPROTEIN METQ

(Escherichia
coli) 		PF03180
(Lipoprotein_9) 		5 ALA X 206
SER X 207
GLY X 210
GLY X 217
TYR X 117
 None
 1.24A 4r29C-4yahX:
1.7		 4r29C-4yahX:
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.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		5 ALA A1747
ARG A1704
GLY A1750
PHE A1751
GLU A1710
 None
 1.27A 4r29C-4yknA:
undetectable		 4r29C-4yknA:
9.97
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.
4z3y BENZOYL-COA
REDUCTASE, PUTATIVE

(Geobacter
metallireducens) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ALA A 184
SER A  93
GLY A 187
ALA A 346
GLY A 350
 MTE  A 703 (-4.8A)
MTE  A 703 (-2.9A)
None
None
None
 1.27A 4r29C-4z3yA:
undetectable		 4r29C-4z3yA:
14.85
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.
5b3j NMDA GLUTAMATE
RECEPTOR SUBUNIT

(Xenopus laevis) 		PF01094
(ANF_receptor) 		5 ALA A 370
GLY A 390
PHE A 388
TYR A 372
GLU A 272
 None
 1.21A 4r29C-5b3jA:
undetectable		 4r29C-5b3jA:
19.38
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.
5erd DESMOGLEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		5 ALA A  22
ALA A  82
GLY A  80
TYR A  40
TYR A  38
 None
 1.19A 4r29C-5erdA:
undetectable		 4r29C-5erdA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fac ALANINE RACEMASE

(Streptomyces
coelicolor) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A 369
GLY A 314
ALA A 303
GLY A 305
GLU A 375
 None
 1.29A 4r29C-5facA:
undetectable		 4r29C-5facA:
16.75
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.
5gmx CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		5 ALA A 338
GLY A 333
ALA A 276
GLY A 349
PHE A 350
 None
 1.20A 4r29C-5gmxA:
undetectable		 4r29C-5gmxA:
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 ALA B1009
SER B1011
ALA B1155
GLY B1088
GLU B1081
 None
 1.13A 4r29C-5hb4B:
undetectable		 4r29C-5hb4B:
8.90
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 ALA A 646
GLY A 663
ALA A 808
GLY A 703
GLU A 832
 None
 1.19A 4r29C-5hp6A:
undetectable		 4r29C-5hp6A:
12.82
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.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		5 SER A 294
GLY A 222
ALA A 236
MET A 240
PHE A 224
 ACT  A 502 (-2.8A)
ACT  A 502 ( 4.8A)
None
None
None
 1.27A 4r29C-5idiA:
undetectable		 4r29C-5idiA:
19.82
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.
5j6b ALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 ALA A 254
GLY A 410
ALA A 274
GLY A 276
TYR A 278
 None
 1.18A 4r29C-5j6bA:
undetectable		 4r29C-5j6bA:
17.02
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.
5jkp UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF08238
(Sel1) 		5 ALA A 187
SER A 180
GLY A 183
ALA A 221
GLY A 217
 None
 1.21A 4r29C-5jkpA:
undetectable		 4r29C-5jkpA:
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.
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF01392
(Fz)
PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 ALA A 236
ALA A 524
MET A 525
GLY A 527
PHE A 526
 None
 1.26A 4r29C-5l7dA:
3.1		 4r29C-5l7dA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		5 ARG A 169
ALA A 211
ARG A 221
GLY A 223
MET A 195
 None
AKG  A 302 (-3.4A)
AKG  A 302 (-2.7A)
None
None
 1.23A 4r29C-5m0tA:
undetectable		 4r29C-5m0tA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 ALA A 851
ALA A 779
GLY A 781
PHE A 782
GLU A 784
 None
 1.25A 4r29C-5mpmA:
2.8		 4r29C-5mpmA:
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.
5ns8 -

(-) 		no annotation 5 ALA A  52
ALA A  44
GLY A 406
PHE A 401
TYR A 407
 None
 1.26A 4r29C-5ns8A:
undetectable		 4r29C-5ns8A:
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.
5ols RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ALA A 286
ALA A 337
GLY A 320
PHE A 284
TYR A 344
 None
 1.19A 4r29C-5olsA:
undetectable		 4r29C-5olsA:
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.
5ot0 L-ASPARAGINASE

(Thermococcus
kodakarensis) 		no annotation 5 ARG A 278
GLY A 284
ALA A 235
GLY A 237
GLU A 275
 None
 1.10A 4r29C-5ot0A:
undetectable		 4r29C-5ot0A:
22.56
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00384
(Molybdopterin)
PF01493
(GXGXG) 		5 ALA C 200
ALA C 250
GLY C 221
PHE C 222
GLU B 208
 None
 1.24A 4r29C-5t5iC:
undetectable		 4r29C-5t5iC:
24.83
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.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 ALA A 200
ARG A 204
ALA A 215
GLY A 213
TYR A 212
 None
 1.28A 4r29C-5u2wA:
undetectable		 4r29C-5u2wA:
20.30
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.
5vft PROTEASOME SUBUNIT
BETA TYPE-4

(Homo sapiens) 		no annotation 5 SER T  54
GLY T  52
ALA T 134
GLY T 123
TYR T 132
 None
 1.16A 4r29C-5vftT:
undetectable		 4r29C-5vftT:
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.
5vsj ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE
1

(Streptomyces
coelicolor) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		5 GLY A 509
ALA A 244
MET A 245
GLY A 246
PHE A 247
 None
 1.00A 4r29C-5vsjA:
undetectable		 4r29C-5vsjA:
13.67
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.
5wso NS3 HELICASE

(Pestivirus A) 		no annotation 5 ARG A 537
ALA A 602
ALA A 332
GLY A 539
TYR A 538
 None
 1.28A 4r29C-5wsoA:
undetectable		 4r29C-5wsoA:
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 ALA A 443
GLY A 366
ALA A 387
GLY A 391
TYR A 392
 None
 1.23A 4r29C-5xapA:
undetectable		 4r29C-5xapA:
14.84
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.
6co9 PROBABLE
COA-TRANSFERASE
ALPHA SUBUNIT

(Rhodococcus
jostii) 		no annotation 5 ALA A  66
SER A  65
GLY A  61
ALA A  37
MET A  36
 None
 1.19A 4r29C-6co9A:
undetectable		 4r29C-6co9A:
undetectable