SIMILAR PATTERNS OF AMINO ACIDS FOR 2BXE_A_1FLA2003

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.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		5 LEU A 377
PHE A 362
LEU A 525
HIS A 417
ALA A 408
 None
 1.08A 2bxeA-1cleA:
2.7		 2bxeA-1cleA:
21.07
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.
1dvk PRP18

(Saccharomyces
cerevisiae) 		PF02840
(Prp18) 		5 LEU A 147
LEU A 121
ARG A 235
LEU A 236
ALA A 142
 None
 0.98A 2bxeA-1dvkA:
1.2		 2bxeA-1dvkA:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gy9 ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Escherichia
coli) 		PF02668
(TauD) 		5 LEU A  60
ARG A  63
PHE A  64
LEU A  23
LEU A  47
 None
 1.29A 2bxeA-1gy9A:
undetectable		 2bxeA-1gy9A:
18.87
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		5 LEU A 282
PHE A 259
LEU A 165
LEU A 147
ALA A 696
 None
 1.38A 2bxeA-1jqoA:
undetectable		 2bxeA-1jqoA:
21.10
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.
1mw9 DNA TOPOISOMERASE I

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 LEU X 537
PHE X 571
LEU X 530
LEU X 183
ALA X 578
 None
 1.40A 2bxeA-1mw9X:
2.4		 2bxeA-1mw9X:
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.
1qgp PROTEIN (DOUBLE
STRANDED RNA
ADENOSINE DEAMINASE)

(Homo sapiens) 		PF02295
(z-alpha) 		5 LEU A 161
PHE A 146
LEU A 176
LEU A 185
ALA A 155
 None
 1.31A 2bxeA-1qgpA:
undetectable		 2bxeA-1qgpA:
9.90
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.
1r20 ULTRASPIRACLE
PROTEIN

(Heliothis
virescens) 		PF00104
(Hormone_recep) 		5 LEU A 399
LEU A 369
ARG A 420
LEU A 421
ALA A 416
 None
 0.92A 2bxeA-1r20A:
undetectable		 2bxeA-1r20A:
17.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		5 LEU A 219
ARG A 218
LEU A 238
HIS A 242
LEU A 260
 None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
 1.37A 2bxeA-1tf0A:
47.5		 2bxeA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		6 TYR A 150
ARG A 222
PHE A 223
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.9A)
None
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.85A 2bxeA-1tf0A:
47.5		 2bxeA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		8 TYR A 150
LEU A 219
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ALA A 291
 DKA  A1003 (-4.4A)
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.31A 2bxeA-1tf0A:
47.5		 2bxeA-1tf0A:
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.
1xr5 GENOME POLYPROTEIN

(Rhinovirus B) 		PF00680
(RdRP_1) 		5 LEU A  50
ARG A  49
LEU A  54
LEU A  58
ALA A  41
 None
 1.27A 2bxeA-1xr5A:
0.4		 2bxeA-1xr5A:
22.76
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.
1xr5 GENOME POLYPROTEIN

(Rhinovirus B) 		PF00680
(RdRP_1) 		5 LEU A 194
PHE A 198
LEU A 253
LEU A 249
ALA A  82
 None
 1.25A 2bxeA-1xr5A:
0.4		 2bxeA-1xr5A:
22.76
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		5 LEU A 244
PHE A 245
LEU A 110
LEU A 317
ALA A 323
 None
 1.08A 2bxeA-2amcA:
undetectable		 2bxeA-2amcA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3z INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Sulfolobus
solfataricus) 		PF00218
(IGPS) 		5 TYR A  69
LEU A  33
ARG A  36
LEU A 231
ALA A  77
 None
 1.12A 2bxeA-2c3zA:
undetectable		 2bxeA-2c3zA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ciy CHLOROPEROXIDASE

(Leptoxyphium
fumago) 		PF01328
(Peroxidase_2) 		5 LEU A  97
PHE A 103
LEU A  91
ARG A  50
LEU A  53
 HEM  A 396 (-4.1A)
DMS  A3036 (-3.8A)
None
None
HEM  A 396 ( 4.3A)
 1.40A 2bxeA-2ciyA:
undetectable		 2bxeA-2ciyA:
19.34
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.
2cwa SINGLE-STRAND
BINDING PROTEIN

(Thermus
thermophilus) 		PF00436
(SSB) 		5 LEU A 137
ARG A 189
LEU A 155
LEU A 223
ALA A 186
 None
 1.23A 2bxeA-2cwaA:
undetectable		 2bxeA-2cwaA:
16.70
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.
2drw D-AMINO ACID AMIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase) 		5 LEU A 259
PHE A 255
LEU A 265
LEU A  72
ALA A  67
 None
 0.99A 2bxeA-2drwA:
undetectable		 2bxeA-2drwA:
19.43
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.
2e7g PUTATIVE
RIBOSOME-BINDING
FACTOR A

(Homo sapiens) 		PF02033
(RBFA) 		5 LEU A 167
ARG A 164
LEU A 104
LEU A 108
ALA A 160
 None
 1.39A 2bxeA-2e7gA:
undetectable		 2bxeA-2e7gA:
12.50
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.
2eia EIAV CAPSID PROTEIN
P26

(Equine
infectious
anemia virus) 		PF00607
(Gag_p24) 		5 TYR A 129
LEU A  32
LEU A  57
LEU A  71
ALA A 136
 None
 1.03A 2bxeA-2eiaA:
undetectable		 2bxeA-2eiaA:
16.67
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		5 TYR A 350
LEU A 371
PHE A 452
LEU A 255
LEU A 258
 None
 1.28A 2bxeA-2gduA:
undetectable		 2bxeA-2gduA:
20.95
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.
2h1i CARBOXYLESTERASE

(Bacillus cereus) 		PF02230
(Abhydrolase_2) 		5 LEU A  79
PHE A  58
LEU A  83
LEU A  44
ALA A  99
 None
 1.23A 2bxeA-2h1iA:
undetectable		 2bxeA-2h1iA:
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.
2hne L-FUCONATE
DEHYDRATASE

(Xanthomonas
campestris) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  93
PHE A  89
LEU A  70
LEU A   7
ALA A 115
 None
 1.30A 2bxeA-2hneA:
undetectable		 2bxeA-2hneA:
21.90
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		5 LEU 1 377
PHE 1 381
LEU 1 436
LEU 1 432
ALA 1 265
 None
 1.14A 2bxeA-2ijd1:
undetectable		 2bxeA-2ijd1:
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.
2oqh PUTATIVE ISOMERASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 221
LEU A 283
HIS A 268
ARG A 321
LEU A 319
 None
 1.26A 2bxeA-2oqhA:
undetectable		 2bxeA-2oqhA:
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		5 LEU A 202
ARG A 199
PHE A 201
LEU A 267
ALA A 296
 None
 1.11A 2bxeA-2pziA:
2.4		 2bxeA-2pziA:
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A 527
PHE A 523
LEU A 374
LEU A 365
ALA A 250
 None
 1.40A 2bxeA-2xgtA:
undetectable		 2bxeA-2xgtA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y0e UDP-GLUCOSE
DEHYDROGENASE

(Burkholderia
cepacia) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 LEU A  39
ARG A  59
PHE A  66
LEU A  51
ALA A  56
 None
 1.40A 2bxeA-2y0eA:
undetectable		 2bxeA-2y0eA:
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.
2ywv PHOSPHORIBOSYLAMINOI
MIDAZOLE
SUCCINOCARBOXAMIDE
SYNTHETASE

(Geobacillus
kaustophilus) 		PF01259
(SAICAR_synt) 		5 LEU A 179
PHE A 177
LEU A 191
LEU A  62
ALA A 158
 None
 1.20A 2bxeA-2ywvA:
undetectable		 2bxeA-2ywvA:
18.56
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.
2ywv PHOSPHORIBOSYLAMINOI
MIDAZOLE
SUCCINOCARBOXAMIDE
SYNTHETASE

(Geobacillus
kaustophilus) 		PF01259
(SAICAR_synt) 		5 LEU A 191
PHE A 181
LEU A  62
LEU A 163
ALA A 158
 None
 1.37A 2bxeA-2ywvA:
undetectable		 2bxeA-2ywvA:
18.56
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.
2yzm D-ALANINE--D-ALANINE
LIGASE

(Thermus
thermophilus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 LEU A 309
PHE A 299
LEU A 313
LEU A 316
ALA A 267
 None
 1.36A 2bxeA-2yzmA:
undetectable		 2bxeA-2yzmA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A  59
ARG A  41
PHE A  43
LEU A  57
LEU A  50
 None
 1.09A 2bxeA-2z81A:
undetectable		 2bxeA-2z81A:
22.76
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.
2zpa UNCHARACTERIZED
PROTEIN YPFI

(Escherichia
coli) 		PF05127
(Helicase_RecD)
PF08351
(DUF1726)
PF13718
(GNAT_acetyltr_2)
PF17176
(tRNA_bind_3) 		5 LEU A 591
PHE A 584
LEU A 616
LEU A 602
ALA A 611
 None
 1.41A 2bxeA-2zpaA:
undetectable		 2bxeA-2zpaA:
23.70
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.
3aw8 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermus
thermophilus) 		PF02222
(ATP-grasp) 		5 LEU A 245
PHE A 256
LEU A 243
LEU A 237
ALA A  94
 None
 1.31A 2bxeA-3aw8A:
undetectable		 2bxeA-3aw8A:
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.
3bc8 O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Mus musculus) 		PF05889
(SepSecS) 		5 LEU A 454
PHE A 450
LEU A 458
LEU A 377
ALA A 356
 None
 1.40A 2bxeA-3bc8A:
undetectable		 2bxeA-3bc8A:
22.18
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.
3f8t PREDICTED ATPASE
INVOLVED IN
REPLICATION CONTROL,
CDC46/MCM FAMILY

(Methanopyrus
kandleri) 		PF00493
(MCM) 		5 LEU A 101
ARG A  60
LEU A 164
HIS A 178
LEU A 175
 None
 1.33A 2bxeA-3f8tA:
undetectable		 2bxeA-3f8tA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhn PROTEIN TRANSPORT
PROTEIN TIP20

(Saccharomyces
cerevisiae) 		PF04437
(RINT1_TIP1) 		5 LEU A 674
PHE A 671
LEU A 651
LEU A 661
ALA A 691
 None
 1.35A 2bxeA-3fhnA:
undetectable		 2bxeA-3fhnA:
23.10
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.
3gwq D-SERINE DEAMINASE

(Paraburkholderia
xenovorans) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 TYR A  51
LEU A  45
LEU A  38
LEU A  39
ALA A 392
 None
 1.25A 2bxeA-3gwqA:
undetectable		 2bxeA-3gwqA:
22.18
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.
3hhc INTERLEUKIN-28B

(Homo sapiens) 		PF15177
(IL28A) 		5 LEU A 100
ARG A 101
LEU A  61
LEU A 148
ALA A  66
 None
 1.27A 2bxeA-3hhcA:
undetectable		 2bxeA-3hhcA:
15.90
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 LEU A 123
ARG A 124
LEU A 101
LEU A 103
ALA A 151
 None
 1.11A 2bxeA-3iuuA:
2.2		 2bxeA-3iuuA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kx2 PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Saccharomyces
cerevisiae) 		no annotation 5 LEU B 197
ARG B 198
LEU B 472
HIS B 204
LEU B 469
 None
 1.31A 2bxeA-3kx2B:
2.1		 2bxeA-3kx2B:
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.
3nu8 AMINOTRANSFERASE
WBPE

(Pseudomonas
aeruginosa) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 187
PHE A 161
LEU A 238
LEU A  40
ALA A 195
 None
 1.38A 2bxeA-3nu8A:
undetectable		 2bxeA-3nu8A:
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.
3oj1 DEHALOPEROXIDASE A

(Amphitrite
ornata) 		PF00042
(Globin) 		5 LEU A 127
PHE A 123
LEU A  83
HIS A  89
LEU A  62
 None
None
HEM  A 139 (-4.9A)
HEM  A 139 (-3.3A)
HEM  A 139 ( 4.0A)
 1.17A 2bxeA-3oj1A:
undetectable		 2bxeA-3oj1A:
14.19
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.
3s6d PUTATIVE
TRIOSEPHOSPHATE
ISOMERASE

(Coccidioides
immitis) 		PF00121
(TIM) 		5 LEU A  22
PHE A  26
LEU A  58
LEU A  38
ALA A 271
 None
 1.38A 2bxeA-3s6dA:
undetectable		 2bxeA-3s6dA:
18.72
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.
3s8m ENOYL-ACP REDUCTASE

(Xanthomonas
oryzae) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 LEU A 209
ARG A 118
LEU A  45
LEU A  70
ALA A 117
 None
 1.31A 2bxeA-3s8mA:
undetectable		 2bxeA-3s8mA:
22.79
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.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 LEU A 234
PHE A 238
LEU A 138
LEU A 148
ALA A 157
 None
 1.18A 2bxeA-3smtA:
undetectable		 2bxeA-3smtA:
21.94
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.
3teh PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		5 LEU A 110
PHE A 114
LEU A 322
LEU A 280
ALA A 241
 None
 1.26A 2bxeA-3tehA:
undetectable		 2bxeA-3tehA:
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.
3teh PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		5 LEU A 244
PHE A 245
LEU A 110
LEU A 317
ALA A 323
 None
 1.13A 2bxeA-3tehA:
undetectable		 2bxeA-3tehA:
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.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A

(Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 TYR A 718
LEU A 758
LEU A 630
LEU A 627
ALA A 747
 None
 1.36A 2bxeA-3u44A:
undetectable		 2bxeA-3u44A:
19.30
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 ARG A 674
PHE A 699
LEU A 666
LEU A 747
ALA A 737
 None
 1.21A 2bxeA-3ut2A:
undetectable		 2bxeA-3ut2A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vly NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 LEU A 153
PHE A 106
LEU A  68
ARG A  89
LEU A  59
 None
 1.19A 2bxeA-3vlyA:
undetectable		 2bxeA-3vlyA:
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 TYR A 208
LEU A 141
LEU A 184
HIS A 175
LEU A 188
 None
 1.23A 2bxeA-3wn6A:
undetectable		 2bxeA-3wn6A:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 PHE A 452
LEU A 502
HIS A 503
LEU A 336
ALA A 373
 None
 1.20A 2bxeA-3zxsA:
undetectable		 2bxeA-3zxsA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ern TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPB
SUBUNIT

(Homo sapiens) 		PF16203
(ERCC3_RAD25_C) 		5 LEU A 662
LEU A 547
HIS A 551
LEU A 693
ALA A 508
 None
 0.98A 2bxeA-4ernA:
undetectable		 2bxeA-4ernA:
18.50
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.
4fg0 POLYPROTEIN

(Saint Louis
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 LEU A 221
PHE A 218
LEU A 262
LEU A 266
ALA A 125
 None
 1.40A 2bxeA-4fg0A:
undetectable		 2bxeA-4fg0A:
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.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		5 LEU A 404
ARG A 441
PHE A 409
ARG A 467
ALA A 442
 None
 1.11A 2bxeA-4fwgA:
2.5		 2bxeA-4fwgA:
22.11
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.
4h3t CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Acidimicrobium
ferrooxidans) 		PF09481
(CRISPR_Cse1) 		5 LEU A 101
PHE A 102
LEU A 161
HIS A 165
LEU A 128
 None
 1.26A 2bxeA-4h3tA:
3.4		 2bxeA-4h3tA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i93 PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE
AT5G41260

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		5 LEU A 242
PHE A 238
LEU A 285
LEU A 158
ALA A 309
 None
 1.41A 2bxeA-4i93A:
undetectable		 2bxeA-4i93A:
17.55
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.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Mycobacterium
tuberculosis) 		PF02126
(PTE) 		5 LEU A  20
LEU A  57
ARG A  53
LEU A  54
ALA A 265
 None
 1.28A 2bxeA-4if2A:
undetectable		 2bxeA-4if2A:
20.78
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.
4lyl URACIL-DNA
GLYCOSYLASE

(Gadus morhua) 		PF03167
(UDG) 		5 LEU A 177
ARG A 302
PHE A 184
LEU A 192
ALA A 303
 None
 1.37A 2bxeA-4lylA:
undetectable		 2bxeA-4lylA:
15.18
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.
4mbg CAAX
FARNESYLTRANSFERASE
BETA SUBUNIT RAM1

(Aspergillus
fumigatus) 		PF00432
(Prenyltrans) 		5 LEU B 491
LEU B 124
HIS B 129
LEU B 411
ALA B 437
 None
 0.92A 2bxeA-4mbgB:
undetectable		 2bxeA-4mbgB:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 5 LEU A  99
PHE A 110
LEU A  12
LEU A  20
ALA A  70
 None
 1.19A 2bxeA-4mfzA:
undetectable		 2bxeA-4mfzA:
19.39
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.
4ofl EXTRACYTOPLASMIC
NICKEL-BINDING
PROTEIN YPYNTA

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		5 LEU A 335
ARG A 352
LEU A 382
LEU A 459
ALA A 350
 None
 1.14A 2bxeA-4oflA:
undetectable		 2bxeA-4oflA:
19.70
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.
4oqr CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 LEU A 109
PHE A  94
LEU A 219
LEU A 225
ALA A 234
 None
HEM  A 501 (-4.8A)
None
None
None
 1.30A 2bxeA-4oqrA:
undetectable		 2bxeA-4oqrA:
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.
4pdy AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Alicyclobacillus
acidocaldarius) 		PF01636
(APH) 		5 LEU A 259
ARG A 262
PHE A 118
LEU A 131
LEU A 241
 None
 1.21A 2bxeA-4pdyA:
undetectable		 2bxeA-4pdyA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		7 TYR A 150
ARG A 222
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
 None
 0.87A 2bxeA-4po0A:
45.5		 2bxeA-4po0A:
74.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		7 TYR A 150
LEU A 219
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
 None
 0.47A 2bxeA-4po0A:
45.5		 2bxeA-4po0A:
74.32
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.
4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24

(Actinoplanes
teichomyceticus) 		no annotation 5 LEU A  99
PHE A 110
LEU A  12
LEU A  20
ALA A  70
 None
 1.20A 2bxeA-4q38A:
undetectable		 2bxeA-4q38A:
19.03
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.
4rd9 AMYLOID-LIKE PROTEIN
1

(Homo sapiens) 		PF12925
(APP_E2) 		5 LEU A 399
PHE A 395
LEU A 473
ARG A 478
LEU A 477
 None
 1.25A 2bxeA-4rd9A:
2.5		 2bxeA-4rd9A:
17.34
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE

(Escherichia
coli) 		PF02446
(Glyco_hydro_77) 		5 LEU A 375
HIS A 188
ARG A 373
LEU A 445
ALA A 437
 None
 1.11A 2bxeA-4s3pA:
undetectable		 2bxeA-4s3pA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx8 PROBABLE CHITINASE A

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		5 LEU A 228
PHE A 226
LEU A 193
LEU A 157
ALA A 214
 None
 1.04A 2bxeA-4tx8A:
undetectable		 2bxeA-4tx8A:
19.97
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.
4xgt FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		5 LEU A 956
PHE A 961
LEU A 952
LEU A1026
ALA A1001
 None
 1.14A 2bxeA-4xgtA:
undetectable		 2bxeA-4xgtA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 741
LEU A 748
HIS A 669
LEU A 798
ALA A 805
 None
 1.16A 2bxeA-4zdnA:
undetectable		 2bxeA-4zdnA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		5 LEU A 455
PHE A 452
LEU A 440
LEU A 480
ALA A 470
 None
 1.35A 2bxeA-5a5tA:
undetectable		 2bxeA-5a5tA:
16.59
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.
5aoh CARF

(Serratia sp.
ATCC 39006) 		PF03781
(FGE-sulfatase) 		5 LEU A 261
PHE A 259
LEU A 102
HIS A 106
LEU A  52
 None
 1.36A 2bxeA-5aohA:
undetectable		 2bxeA-5aohA:
16.95
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.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		6 LEU A 147
PHE A 185
LEU A 155
HIS A 176
LEU A 215
ALA A 192
 None
 1.42A 2bxeA-5cykA:
undetectable		 2bxeA-5cykA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dne L-ASPARAGINASE

(Cavia porcellus) 		PF00710
(Asparaginase) 		5 LEU A  42
ARG A 154
LEU A  38
LEU A  35
ALA A 153
 None
 1.35A 2bxeA-5dneA:
undetectable		 2bxeA-5dneA:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		8 TYR A 149
LEU A 218
PHE A 222
LEU A 237
HIS A 241
ARG A 256
LEU A 259
ALA A 290
 PG4  A 602 (-4.9A)
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
PG4  A 602 (-3.4A)
 0.44A 2bxeA-5dqfA:
46.1		 2bxeA-5dqfA:
76.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		5 LEU A 346
ARG A 349
LEU A 342
LEU A 290
ALA A 286
 None
 1.24A 2bxeA-5ds0A:
undetectable		 2bxeA-5ds0A:
21.40
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.
5e38 URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF14681
(UPRTase) 		5 LEU A  39
LEU A  35
ARG A  19
LEU A  18
ALA A 181
 None
 1.27A 2bxeA-5e38A:
undetectable		 2bxeA-5e38A:
16.58
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		5 LEU A 514
ARG A 511
LEU A 377
LEU A 379
ALA A 312
 None
 1.33A 2bxeA-5fifA:
undetectable		 2bxeA-5fifA:
22.04
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.
5fmf DNA REPAIR HELICASE
RAD25, SSL2

(Saccharomyces
cerevisiae) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		5 LEU 1 708
LEU 1 594
HIS 1 598
LEU 1 739
ALA 1 555
 None
 0.98A 2bxeA-5fmf1:
undetectable		 2bxeA-5fmf1:
21.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		6 TYR A 150
ARG A 222
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 None
 0.82A 2bxeA-5ghkA:
45.7		 2bxeA-5ghkA:
79.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		8 TYR A 150
LEU A 219
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ALA A 291
 None
 0.43A 2bxeA-5ghkA:
45.7		 2bxeA-5ghkA:
79.97
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 LEU A  71
PHE A  40
LEU A  67
LEU A  57
ALA A  32
 None
 1.35A 2bxeA-5i2hA:
undetectable		 2bxeA-5i2hA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 112
PHE A 108
LEU A 209
ARG A 225
ALA A 262
 None
 1.20A 2bxeA-5keiA:
undetectable		 2bxeA-5keiA:
22.24
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.
5lpc VANADIUM-DEPENDENT
BROMOPEROXIDASE

(Acaryochloris
marina) 		no annotation 5 LEU A 472
LEU A 182
HIS A 479
ARG A 184
LEU A 183
 None
 1.20A 2bxeA-5lpcA:
1.5		 2bxeA-5lpcA:
21.38
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.
5m42 PROLINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01619
(Pro_dh) 		5 LEU A 150
ARG A 117
LEU A 146
LEU A 100
ALA A 114
 None
 1.20A 2bxeA-5m42A:
undetectable		 2bxeA-5m42A:
19.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ori ALBUMIN

(Capra hircus) 		no annotation 5 LEU A 218
ARG A 217
ARG A 256
LEU A 259
ALA A 290
 None
 1.21A 2bxeA-5oriA:
45.7		 2bxeA-5oriA:
74.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ori ALBUMIN

(Capra hircus) 		no annotation 8 TYR A 149
LEU A 218
PHE A 222
LEU A 237
HIS A 241
ARG A 256
LEU A 259
ALA A 290
 None
 0.59A 2bxeA-5oriA:
45.7		 2bxeA-5oriA:
74.66
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		5 LEU A 179
PHE A 180
LEU A 137
LEU A 170
ALA A  57
 None
 1.35A 2bxeA-5tfqA:
undetectable		 2bxeA-5tfqA:
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.
5uc7 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(environmental
samples) 		PF00202
(Aminotran_3) 		5 LEU A 257
PHE A 258
LEU A 327
HIS A  57
LEU A 324
 None
 1.38A 2bxeA-5uc7A:
undetectable		 2bxeA-5uc7A:
21.26
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.
5uc7 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(environmental
samples) 		PF00202
(Aminotran_3) 		5 LEU A 257
PHE A 258
LEU A 327
LEU A 324
ALA A 275
 None
None
None
None
LLP  A 274 ( 3.7A)
 1.35A 2bxeA-5uc7A:
undetectable		 2bxeA-5uc7A:
21.26
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.
5v6t PLEXIN-D1

(Mus musculus) 		PF08337
(Plexin_cytopl) 		5 LEU A1417
PHE A1413
LEU A1448
LEU A1444
ALA A1873
 None
 1.34A 2bxeA-5v6tA:
undetectable		 2bxeA-5v6tA:
23.36
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 142
ARG A 122
LEU A 161
ARG A 190
LEU A 191
 None
 1.40A 2bxeA-5v9xA:
undetectable		 2bxeA-5v9xA:
7.58
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.
5vxl INVASIN IPAD

(Shigella
flexneri) 		PF06511
(IpaD) 		5 TYR A 276
LEU A 171
PHE A 167
LEU A 174
LEU A 195
 None
 1.37A 2bxeA-5vxlA:
2.4		 2bxeA-5vxlA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ysm CYTOCHROME P450

(Amycolatopsis
mediterranei) 		no annotation 5 LEU A 121
PHE A 106
LEU A 231
LEU A 241
ALA A 250
 None
HEM  A 501 (-4.6A)
None
None
None
 1.24A 2bxeA-5ysmA:
undetectable		 2bxeA-5ysmA:
8.67
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 7 TYR A 150
LEU A 219
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
 None
 0.55A 2bxeA-5yxeA:
46.6		 2bxeA-5yxeA:
11.11
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.
5ze8 CYTOCHROME C552

(Thermochromatium
tepidum) 		no annotation 5 LEU A 407
ARG A 319
PHE A 318
LEU A 418
LEU A  74
 None
HEM  A 502 ( 2.8A)
HEM  A 502 ( 4.9A)
None
None
 1.30A 2bxeA-5ze8A:
undetectable		 2bxeA-5ze8A:
8.11
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.
5zvs PUTATIVE CORE
PROTEIN NTPASE/VP5

(Aquareovirus C) 		no annotation 5 TYR 4 496
LEU 4 511
ARG 4 507
LEU 4 527
ALA 4 441
 None
 1.32A 2bxeA-5zvs4:
undetectable		 2bxeA-5zvs4:
8.03
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 392
PHE A 497
LEU A 364
ARG A 410
LEU A 422
 None
 1.29A 2bxeA-6eojA:
undetectable		 2bxeA-6eojA:
16.83