SIMILAR PATTERNS OF AMINO ACIDS FOR 5EWJ_D_QELD503_1

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.
1a0p SITE-SPECIFIC
RECOMBINASE XERD

(Escherichia
coli) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		5 ALA A   6
GLN A  10
ILE A   8
PHE A  11
THR A 284
 None
 1.35A 5ewjC-1a0pA:
undetectable
5ewjD-1a0pA:
undetectable		 5ewjC-1a0pA:
20.87
5ewjD-1a0pA:
18.77
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.
1a0p SITE-SPECIFIC
RECOMBINASE XERD

(Escherichia
coli) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		5 TYR A  85
ALA A   6
GLN A  10
ILE A   8
PHE A  11
 None
 1.27A 5ewjC-1a0pA:
undetectable
5ewjD-1a0pA:
undetectable		 5ewjC-1a0pA:
20.87
5ewjD-1a0pA:
18.77
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.
1amu GRAMICIDIN
SYNTHETASE 1

(Brevibacillus
brevis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 202
ALA A 332
ILE A 352
THR A 190
GLU A 327
 None
None
None
AMP  A 567 (-3.8A)
MG  A 564 (-2.8A)
 1.20A 5ewjC-1amuA:
3.6
5ewjD-1amuA:
3.0		 5ewjC-1amuA:
21.83
5ewjD-1amuA:
22.10
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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 TYR A 580
THR A 586
LEU A 582
PRO A 592
ILE A 591
 None
 1.35A 5ewjC-1aorA:
undetectable
5ewjD-1aorA:
undetectable		 5ewjC-1aorA:
21.86
5ewjD-1aorA:
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.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermotoga
maritima) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A 394
LEU A 339
ALA A 400
ILE A 401
THR A 346
 None
 1.50A 5ewjC-1b3bA:
4.4
5ewjD-1b3bA:
5.0		 5ewjC-1b3bA:
20.63
5ewjD-1b3bA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bpo PROTEIN (CLATHRIN)

(Rattus
norvegicus) 		PF01394
(Clathrin_propel)
PF09268
(Clathrin-link)
PF13838
(Clathrin_H_link) 		5 THR A 312
ALA A 307
GLN A 265
ILE A 316
THR A 158
 None
 1.34A 5ewjC-1bpoA:
undetectable
5ewjD-1bpoA:
undetectable		 5ewjC-1bpoA:
21.75
5ewjD-1bpoA:
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.
1c9l CLATHRIN

(Rattus
norvegicus) 		PF01394
(Clathrin_propel)
PF09268
(Clathrin-link) 		5 THR A 312
ALA A 307
GLN A 265
ILE A 316
THR A 158
 None
 1.37A 5ewjC-1c9lA:
undetectable
5ewjD-1c9lA:
undetectable		 5ewjC-1c9lA:
23.04
5ewjD-1c9lA:
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 TYR A 538
THR A 633
ILE A 631
THR A 448
GLU A 663
 None
 1.22A 5ewjC-1e4oA:
3.7
5ewjD-1e4oA:
2.6		 5ewjC-1e4oA:
17.38
5ewjD-1e4oA:
16.07
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 THR A 425
LEU A 559
ALA A 536
GLN A 422
ILE A 419
 None
 1.38A 5ewjC-1ofeA:
undetectable
5ewjD-1ofeA:
undetectable		 5ewjC-1ofeA:
12.85
5ewjD-1ofeA:
11.82
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.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 THR A 365
LEU A 332
ALA A 302
GLN A 309
ILE A 307
 None
 1.22A 5ewjC-1pn3A:
undetectable
5ewjD-1pn3A:
2.7		 5ewjC-1pn3A:
19.91
5ewjD-1pn3A:
18.69
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 TYR A  51
LEU A 212
ALA A 110
ILE A  54
THR A 378
 None
 1.15A 5ewjC-1qdlA:
undetectable
5ewjD-1qdlA:
undetectable		 5ewjC-1qdlA:
22.56
5ewjD-1qdlA:
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.
1scj SUBTILISIN E

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 TYR A  21
THR A  22
ALA A  15
GLN A  19
THR A 253
 None
 1.38A 5ewjC-1scjA:
6.5
5ewjD-1scjA:
6.2		 5ewjC-1scjA:
23.04
5ewjD-1scjA:
21.84
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.
1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Thermus
thermophilus) 		PF02219
(MTHFR) 		5 PRO A 203
ALA A 177
ILE A 202
THR A  49
GLU A  18
 None
None
None
FAD  A 300 (-3.8A)
FAD  A 300 ( 4.4A)
 1.42A 5ewjC-1v93A:
undetectable
5ewjD-1v93A:
undetectable		 5ewjC-1v93A:
21.70
5ewjD-1v93A:
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.
1wiw GLUCOSE-6-PHOSPHATE
ISOMERASE LIKE
PROTEIN

(Thermus
thermophilus) 		PF10432
(bact-PGI_C) 		5 TYR A 273
PRO A 277
ALA A 266
THR A 193
PRO A 165
 None
 1.26A 5ewjC-1wiwA:
2.5
5ewjD-1wiwA:
undetectable		 5ewjC-1wiwA:
21.00
5ewjD-1wiwA:
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.
1yf8 BETA-GALACTOSIDE-SPE
CIFIC LECTIN 4

(Viscum album) 		PF00161
(RIP) 		5 LEU A 233
ALA A 161
ILE A  21
PHE A  18
PRO A  38
 None
 1.30A 5ewjC-1yf8A:
undetectable
5ewjD-1yf8A:
undetectable		 5ewjC-1yf8A:
20.56
5ewjD-1yf8A:
21.43
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.
1yk3 HYPOTHETICAL PROTEIN
RV1347C/MT1389

(Mycobacterium
tuberculosis) 		PF13523
(Acetyltransf_8) 		5 ARG A  33
ALA A  48
GLN A  49
ILE A  95
GLU A  87
 None
 1.27A 5ewjC-1yk3A:
undetectable
5ewjD-1yk3A:
undetectable		 5ewjC-1yk3A:
19.69
5ewjD-1yk3A:
17.93
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.
1yts YERSINIA PROTEIN
TYROSINE PHOSPHATASE

(Yersinia
enterocolitica) 		PF00102
(Y_phosphatase) 		5 TYR A 248
THR A 238
LEU A 244
ALA A 258
ILE A 249
 None
 1.12A 5ewjC-1ytsA:
3.1
5ewjD-1ytsA:
2.0		 5ewjC-1ytsA:
20.83
5ewjD-1ytsA:
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.
2a7n L(+)-MANDELATE
DEHYDROGENASE

(Pseudomonas
putida;
Spinacia
oleracea) 		PF01070
(FMN_dh) 		5 LEU A 282
ALA A  64
ILE A 345
THR A 152
PRO A 104
 None
 1.41A 5ewjC-2a7nA:
undetectable
5ewjD-2a7nA:
undetectable		 5ewjC-2a7nA:
22.25
5ewjD-2a7nA:
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.
2ay9 AROMATIC AMINO ACID
AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00155
(Aminotran_1_2) 		5 THR A  99
LEU A 271
ALA A 283
GLN A 284
THR A 105
 None
 1.42A 5ewjC-2ay9A:
5.4
5ewjD-2ay9A:
5.3		 5ewjC-2ay9A:
23.39
5ewjD-2ay9A:
23.47
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.
2c8j FERROCHELATASE 1

(Bacillus
anthracis) 		PF00762
(Ferrochelatase) 		5 LEU A  83
ALA A 291
GLN A  62
ILE A 296
THR A  14
 None
 1.49A 5ewjC-2c8jA:
6.0
5ewjD-2c8jA:
2.6		 5ewjC-2c8jA:
22.33
5ewjD-2c8jA:
20.71
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.
2dut HETEROCHROMATIN-ASSO
CIATED PROTEIN MENT

(Gallus gallus) 		PF00079
(Serpin) 		5 ILE A 391
PHE A 390
THR A 208
PRO A 302
GLU A 355
 None
 1.18A 5ewjC-2dutA:
undetectable
5ewjD-2dutA:
undetectable		 5ewjC-2dutA:
21.31
5ewjD-2dutA:
21.12
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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum) 		PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929) 		5 ARG A 543
LEU A 533
PRO A 209
PHE A 508
PRO A 448
 None
 1.47A 5ewjC-2eidA:
undetectable
5ewjD-2eidA:
undetectable		 5ewjC-2eidA:
22.42
5ewjD-2eidA:
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.
2fa0 HMG-COA SYNTHASE

(Brassica juncea) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 TYR A  35
THR A  36
LEU A  44
ALA A  23
THR A 406
 None
 1.32A 5ewjC-2fa0A:
undetectable
5ewjD-2fa0A:
undetectable		 5ewjC-2fa0A:
23.60
5ewjD-2fa0A:
20.82
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.
2gfg BH2851

(Bacillus
halodurans) 		PF01928
(CYTH) 		5 LEU A 135
ALA A 160
ILE A   7
THR A 170
GLU A 166
 None
EDO  A 504 ( 4.3A)
None
None
None
 1.33A 5ewjC-2gfgA:
undetectable
5ewjD-2gfgA:
undetectable		 5ewjC-2gfgA:
19.02
5ewjD-2gfgA:
21.41
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.
2gko SUBTILISIN
MICROBIAL SERINE
PROTEINASES

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 PRO A 173
ALA A 300
ILE A 299
THR A 194
GLU A 192
 None
 1.45A 5ewjC-2gkoA:
3.2
5ewjD-2gkoA:
5.1		 5ewjC-2gkoA:
21.32
5ewjD-2gkoA:
22.34
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.
2him L-ASPARAGINASE 1

(Escherichia
coli) 		PF00710
(Asparaginase) 		5 THR A 307
ARG A 331
LEU A 330
GLN A 315
ILE A 207
 None
 1.43A 5ewjC-2himA:
4.2
5ewjD-2himA:
3.4		 5ewjC-2himA:
22.88
5ewjD-2himA:
22.97
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 LEU A  99
ALA A  73
ILE A 127
THR A 210
GLU A 180
 None
 1.42A 5ewjC-2hpiA:
undetectable
5ewjD-2hpiA:
undetectable		 5ewjC-2hpiA:
15.41
5ewjD-2hpiA:
13.87
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.
2iag PROSTACYCLIN
SYNTHASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 180
ALA A 447
ILE A 451
PHE A 454
THR A 127
 None
HEM  A 600 (-3.5A)
None
None
None
 1.24A 5ewjC-2iagA:
undetectable
5ewjD-2iagA:
undetectable		 5ewjC-2iagA:
22.94
5ewjD-2iagA:
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.
2ici EXOTOXIN I

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		5 THR A 193
LEU A 202
ILE A   9
THR A  21
GLU A  75
 None
 1.40A 5ewjC-2iciA:
undetectable
5ewjD-2iciA:
undetectable		 5ewjC-2iciA:
21.19
5ewjD-2iciA:
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.
2o5f PUTATIVE NUDIX
HYDROLASE DR_0079

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		5 TYR A  78
PRO A 101
ALA A 103
THR A 111
GLU A 161
 None
 1.43A 5ewjC-2o5fA:
undetectable
5ewjD-2o5fA:
undetectable		 5ewjC-2o5fA:
18.86
5ewjD-2o5fA:
18.16
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.
2ok0 FAB ED10 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 140
ALA H 130
GLN H 133
THR H 199
PRO H 202
 None
 1.33A 5ewjC-2ok0H:
undetectable
5ewjD-2ok0H:
undetectable		 5ewjC-2ok0H:
19.10
5ewjD-2ok0H:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 ARG A 629
LEU A 679
ALA A 697
PHE A 693
THR A 301
 GOL  A 801 (-4.3A)
GOL  A 801 (-4.5A)
None
None
GOL  A 801 ( 4.3A)
 1.48A 5ewjC-2ww2A:
undetectable
5ewjD-2ww2A:
undetectable		 5ewjC-2ww2A:
19.67
5ewjD-2ww2A:
19.79
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.
2zns GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 1

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		5 TYR A 464
THR A 418
LEU A 460
ILE A 420
THR A 764
 None
 1.18A 5ewjC-2znsA:
undetectable
5ewjD-2znsA:
undetectable		 5ewjC-2znsA:
20.39
5ewjD-2znsA:
23.12
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 TYR A 475
ILE A 476
PHE A 477
THR A 382
GLU A 563
 None
 1.41A 5ewjC-3abzA:
4.3
5ewjD-3abzA:
4.9		 5ewjC-3abzA:
18.64
5ewjD-3abzA:
18.68
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 ARG A1262
GLN A 870
PHE A 880
PRO A 842
GLU A 849
 None
 1.30A 5ewjC-3av6A:
undetectable
5ewjD-3av6A:
2.0		 5ewjC-3av6A:
14.62
5ewjD-3av6A:
14.26
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.
3e96 DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
clausii) 		PF00701
(DHDPS) 		5 THR A  14
ALA A 190
ILE A 192
PHE A 211
GLU A 185
 None
 1.46A 5ewjC-3e96A:
undetectable
5ewjD-3e96A:
undetectable		 5ewjC-3e96A:
19.71
5ewjD-3e96A:
21.41
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.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		5 THR A 209
LEU A 217
ALA A 234
ILE A 194
THR A 164
 None
 1.49A 5ewjC-3h4xA:
undetectable
5ewjD-3h4xA:
undetectable		 5ewjC-3h4xA:
21.34
5ewjD-3h4xA:
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.
3hh8 METAL ABC
TRANSPORTER
SUBSTRATE-BINDING
LIPOPROTEIN

(Streptococcus
pyogenes) 		PF01297
(ZnuA) 		5 LEU A 251
PRO A 218
ALA A 220
PHE A 211
THR A 264
 None
 1.49A 5ewjC-3hh8A:
2.5
5ewjD-3hh8A:
undetectable		 5ewjC-3hh8A:
22.11
5ewjD-3hh8A:
22.67
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.
3i3v PROBABLE SECRETED
SOLUTE-BINDING
LIPOPROTEIN

(Streptomyces
coelicolor) 		PF01547
(SBP_bac_1) 		5 ALA A 211
GLN A 215
ILE A 214
PHE A 217
THR A 156
 None
 1.15A 5ewjC-3i3vA:
2.6
5ewjD-3i3vA:
undetectable		 5ewjC-3i3vA:
19.34
5ewjD-3i3vA:
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.
3ijd UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF02219
(MTHFR) 		5 TYR A  93
LEU A 231
PRO A  75
ILE A  51
THR A 224
 None
C2F  A 314 (-3.9A)
None
None
None
 1.42A 5ewjC-3ijdA:
undetectable
5ewjD-3ijdA:
undetectable		 5ewjC-3ijdA:
22.06
5ewjD-3ijdA:
22.75
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.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		5 THR A 124
PRO A 117
ALA A 147
PHE A 141
GLU A  60
 None
 1.02A 5ewjC-3k9dA:
3.0
5ewjD-3k9dA:
2.4		 5ewjC-3k9dA:
21.28
5ewjD-3k9dA:
20.29
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		5 THR A  86
PRO A  89
ALA A 139
ILE A 140
PRO A 120
 None
 1.27A 5ewjC-3lezA:
undetectable
5ewjD-3lezA:
undetectable		 5ewjC-3lezA:
22.44
5ewjD-3lezA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lw2 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Mus musculus) 		PF00079
(Serpin) 		5 THR A  13
LEU A 258
PRO A  36
GLN A  21
THR A 215
 None
 1.39A 5ewjC-3lw2A:
undetectable
5ewjD-3lw2A:
undetectable		 5ewjC-3lw2A:
22.42
5ewjD-3lw2A:
22.70
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 323
PRO A 167
ALA A 173
ILE A 171
GLU A 186
 None
 1.35A 5ewjC-3n6rA:
4.1
5ewjD-3n6rA:
2.2		 5ewjC-3n6rA:
20.21
5ewjD-3n6rA:
20.17
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.
3ntx CYTOPLASMIC
L-ASPARAGINASE I

(Yersinia pestis) 		PF00710
(Asparaginase) 		5 THR A 208
LEU A 312
PRO A  65
ALA A 100
GLU A 333
 None
 1.27A 5ewjC-3ntxA:
2.4
5ewjD-3ntxA:
3.2		 5ewjC-3ntxA:
22.22
5ewjD-3ntxA:
21.91
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.
3obk DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Toxoplasma
gondii) 		PF00490
(ALAD) 		5 THR A 171
LEU A 165
PRO A 116
ALA A 133
ILE A 119
 None
 1.44A 5ewjC-3obkA:
undetectable
5ewjD-3obkA:
undetectable		 5ewjC-3obkA:
22.81
5ewjD-3obkA:
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.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 THR A 221
LEU A 248
ALA A 214
PHE A 196
THR A 230
 None
 1.45A 5ewjC-3olzA:
29.5
5ewjD-3olzA:
23.8		 5ewjC-3olzA:
24.44
5ewjD-3olzA:
23.56
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.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 414
LEU A  61
ALA A 419
GLN A 420
THR A 143
 None
 1.45A 5ewjC-3oneA:
5.9
5ewjD-3oneA:
4.5		 5ewjC-3oneA:
23.35
5ewjD-3oneA:
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.
3rg2 ENTEROBACTIN
SYNTHASE COMPONENT E
(ENTE),
2,3-DIHYDRO-2,3-DIHY
DROXYBENZOATE
SYNTHETASE,
ISOCHROISMATASE
(ENTB)

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 104
ALA A 335
GLN A 188
ILE A 200
PHE A 187
 None
SVS  A 698 (-3.7A)
None
None
None
 1.12A 5ewjC-3rg2A:
3.6
5ewjD-3rg2A:
undetectable		 5ewjC-3rg2A:
22.22
5ewjD-3rg2A:
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.
3rgg PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, PURE
PROTEIN

(Treponema
denticola) 		PF00731
(AIRC) 		5 TYR A  62
ARG A  58
LEU A  56
ALA A  33
ILE A   7
 None
 1.39A 5ewjC-3rggA:
5.3
5ewjD-3rggA:
6.3		 5ewjC-3rggA:
19.39
5ewjD-3rggA:
18.46
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.
3tbf GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Francisella
tularensis) 		PF01380
(SIS) 		5 TYR A 319
ALA A 312
ILE A 316
THR A 581
PRO A 577
 None
 1.40A 5ewjC-3tbfA:
undetectable
5ewjD-3tbfA:
2.6		 5ewjC-3tbfA:
23.06
5ewjD-3tbfA:
21.39
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.
3tfj GCVT-LIKE
AMINOMETHYLTRANSFERA
SE PROTEIN

(Candidatus
Pelagibacter
ubique) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 TYR A 217
ALA A 154
ILE A 155
THR A  30
PRO A  38
 None
 1.49A 5ewjC-3tfjA:
undetectable
5ewjD-3tfjA:
undetectable		 5ewjC-3tfjA:
21.50
5ewjD-3tfjA:
23.64
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 TYR A 183
LEU A 392
ALA A 178
THR A 389
PRO A 147
 None
 1.44A 5ewjC-3tqpA:
undetectable
5ewjD-3tqpA:
2.0		 5ewjC-3tqpA:
23.50
5ewjD-3tqpA:
19.69
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.
3vid VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 TYR A 927
THR A 926
LEU A1101
ALA A1031
THR A1131
 None
 1.40A 5ewjC-3vidA:
undetectable
5ewjD-3vidA:
undetectable		 5ewjC-3vidA:
21.31
5ewjD-3vidA:
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.
3whi SUBTILISIN E

(Bacillus
subtilis) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		5 TYR A 111
THR A 112
ALA A 105
GLN A 109
THR A 343
 None
 1.42A 5ewjC-3whiA:
4.0
5ewjD-3whiA:
6.0		 5ewjC-3whiA:
23.33
5ewjD-3whiA:
20.62
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.
4c3s ALDEHYDE
DEHYDROGENASE

(Lachnoclostridium
phytofermentans) 		PF00171
(Aldedh) 		5 ALA A  99
PHE A 423
THR A 105
PRO A 103
GLU A  58
 None
 1.34A 5ewjC-4c3sA:
4.0
5ewjD-4c3sA:
3.8		 5ewjC-4c3sA:
23.32
5ewjD-4c3sA:
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
ALPHA
F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF00037
(Fer4)
PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		5 TYR B  68
ALA A 107
ILE A 133
THR B  58
GLU A  14
 None
 1.30A 5ewjC-4ci0B:
2.3
5ewjD-4ci0B:
2.5		 5ewjC-4ci0B:
21.57
5ewjD-4ci0B:
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.
4g7v VOLTAGE-SENSOR
CONTAINING
PHOSPHATASE

(Ciona
intestinalis) 		PF00520
(Ion_trans) 		5 TYR S 150
ARG S 223
LEU S 137
GLN S 147
PHE S 149
 None
 1.12A 5ewjC-4g7vS:
undetectable
5ewjD-4g7vS:
undetectable		 5ewjC-4g7vS:
18.56
5ewjD-4g7vS:
21.35
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.
4gqo LMO0859 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		5 TYR A  51
THR A  47
ALA A  42
THR A  67
GLU A  69
 None
 1.21A 5ewjC-4gqoA:
undetectable
5ewjD-4gqoA:
2.3		 5ewjC-4gqoA:
22.84
5ewjD-4gqoA:
21.35
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 THR A 409
LEU A 624
ALA A 390
ILE A 592
THR A 797
 None
None
FAD  A 901 ( 4.9A)
None
None
 1.29A 5ewjC-4hsuA:
undetectable
5ewjD-4hsuA:
2.1		 5ewjC-4hsuA:
19.35
5ewjD-4hsuA:
16.73
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.
4iox TRIPARTITE TERMINASE
SUBUNIT UL15

(Human
alphaherpesvirus
1) 		PF02499
(DNA_pack_C) 		5 LEU A 708
ILE A 534
THR A 666
PRO A 673
GLU A 539
 None
 1.40A 5ewjC-4ioxA:
undetectable
5ewjD-4ioxA:
undetectable		 5ewjC-4ioxA:
21.76
5ewjD-4ioxA:
21.43
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.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF01118
(Semialdhyde_dh)
PF07836
(DmpG_comm)
PF09290
(AcetDehyd-dimer) 		5 ALA B 165
GLN A 122
ILE A 121
PHE A 124
THR B 173
 None
 1.17A 5ewjC-4jn6B:
7.3
5ewjD-4jn6B:
6.0		 5ewjC-4jn6B:
21.45
5ewjD-4jn6B:
19.63
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.
4m9a ACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 THR A 126
LEU A 214
ALA A 122
PHE A 156
THR A 190
 None
 1.42A 5ewjC-4m9aA:
undetectable
5ewjD-4m9aA:
undetectable		 5ewjC-4m9aA:
20.33
5ewjD-4m9aA:
22.01
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.
4mjk CRISPR PROTEIN

(Archaeoglobus
fulgidus) 		PF09704
(Cas_Cas5d) 		5 LEU A 132
PRO A 231
ILE A 230
PHE A 180
PRO A 204
 None
 1.43A 5ewjC-4mjkA:
undetectable
5ewjD-4mjkA:
undetectable		 5ewjC-4mjkA:
22.67
5ewjD-4mjkA:
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.
4nzy PROBABLE THYMIDYLATE
KINASE

(Sulfurisphaera
tokodaii) 		PF02223
(Thymidylate_kin) 		5 TYR A  35
ILE A  88
PHE A  87
THR A  97
GLU A  10
 EPE  A 301 (-4.2A)
None
None
EDO  A 310 ( 4.9A)
None
 1.30A 5ewjC-4nzyA:
3.9
5ewjD-4nzyA:
2.2		 5ewjC-4nzyA:
19.57
5ewjD-4nzyA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ook METHIONINE
AMINOPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF00557
(Peptidase_M24) 		5 TYR A 190
THR A 163
PRO A 239
ALA A 170
ILE A 187
 None
 1.10A 5ewjC-4ookA:
undetectable
5ewjD-4ookA:
undetectable		 5ewjC-4ookA:
19.80
5ewjD-4ookA:
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.
4pe5 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		8 PRO B  78
ALA B 107
GLN B 110
ILE B 111
PHE B 114
THR B 174
PRO B 177
GLU B 236
 None
QEL  B 920 ( 3.9A)
QEL  B 920 (-3.0A)
QEL  B 920 (-4.6A)
QEL  B 920 (-3.6A)
None
QEL  B 920 (-4.6A)
QEL  B 920 (-2.9A)
 0.36A 5ewjC-4pe5B:
15.9
5ewjD-4pe5B:
35.7		 5ewjC-4pe5B:
18.60
5ewjD-4pe5B:
99.45
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.
4pkl BROMODOMAIN FACTOR 2

(Trypanosoma
brucei) 		PF00439
(Bromodomain) 		5 THR A 102
ALA A  76
ILE A  79
PHE A  99
THR A  67
 None
 1.32A 5ewjC-4pklA:
undetectable
5ewjD-4pklA:
undetectable		 5ewjC-4pklA:
13.85
5ewjD-4pklA:
15.30
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.
4qh6 CRUZIPAIN

(Trypanosoma
cruzi) 		PF00112
(Peptidase_C1) 		5 TYR A  89
THR A  85
LEU A  53
ALA A  82
THR A  59
 None
 1.49A 5ewjC-4qh6A:
undetectable
5ewjD-4qh6A:
undetectable		 5ewjC-4qh6A:
20.91
5ewjD-4qh6A:
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.
4quk DIHYDROFLAVONOL-4-RE
DUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		5 THR A 170
LEU A 127
ALA A 105
ILE A 102
THR A  13
 None
 1.46A 5ewjC-4qukA:
3.9
5ewjD-4qukA:
2.6		 5ewjC-4qukA:
20.56
5ewjD-4qukA:
19.69
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.
4rew 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		5 LEU A 214
PRO A 184
ALA A 182
ILE A 187
GLU A 145
 None
 1.32A 5ewjC-4rewA:
undetectable
5ewjD-4rewA:
undetectable		 5ewjC-4rewA:
21.94
5ewjD-4rewA:
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.
4rho UNCHARACTERIZED
PROTEIN

(Burkholderia
pseudomallei) 		PF15579
(Imm52) 		5 LEU A 173
ALA A 150
ILE A   3
PHE A 116
PRO A 165
 None
 1.32A 5ewjC-4rhoA:
undetectable
5ewjD-4rhoA:
undetectable		 5ewjC-4rhoA:
21.37
5ewjD-4rhoA:
22.83
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.
4tll RECEPTOR SUBUNIT
GLUN2B

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		8 PRO B  73
ALA B 102
GLN B 105
ILE B 106
PHE B 109
THR B 169
PRO B 172
GLU B 231
 None
QEM  B 901 ( 4.0A)
QEM  B 901 (-3.3A)
QEM  B 901 (-4.6A)
QEM  B 901 (-4.4A)
QEM  B 901 (-3.8A)
QEM  B 901 (-4.5A)
QEM  B 901 (-3.1A)
 0.58A 5ewjC-4tllB:
20.9
5ewjD-4tllB:
48.9		 5ewjC-4tllB:
19.51
5ewjD-4tllB:
38.85
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.
4uf7 GLYCOPROTEIN

(Ghanaian bat
henipavirus) 		PF00423
(HN) 		5 TYR A 247
ALA A 586
ILE A 585
PHE A 245
THR A 517
 None
 1.42A 5ewjC-4uf7A:
undetectable
5ewjD-4uf7A:
undetectable		 5ewjC-4uf7A:
18.71
5ewjD-4uf7A:
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		5 PRO A 104
ALA A 193
GLN A 197
ILE A 198
PHE A 201
 None
 1.46A 5ewjC-4x5sA:
undetectable
5ewjD-4x5sA:
undetectable		 5ewjC-4x5sA:
19.22
5ewjD-4x5sA:
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.
4xx6 BETA-XYLANASE

(Gloeophyllum
trabeum) 		PF00331
(Glyco_hydro_10) 		5 THR A 288
LEU A 345
ILE A 268
PHE A 238
THR A  33
 None
 1.49A 5ewjC-4xx6A:
undetectable
5ewjD-4xx6A:
undetectable		 5ewjC-4xx6A:
22.28
5ewjD-4xx6A:
20.90
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		5 TYR A 318
LEU A 313
ALA A 305
ILE A 304
THR A 116
 None
 1.37A 5ewjC-4yhsA:
12.9
5ewjD-4yhsA:
8.6		 5ewjC-4yhsA:
21.63
5ewjD-4yhsA:
22.17
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.
4yii ANAPHASE-PROMOTING
COMPLEX SUBUNIT 2
UBIQUITIN-CONJUGATIN
G ENZYME E2 C

(Homo sapiens) 		PF00179
(UQ_con)
PF08672
(ANAPC2) 		5 TYR A 757
LEU U  42
ILE A 758
PHE A 754
PRO U  54
 None
 1.50A 5ewjC-4yiiA:
undetectable
5ewjD-4yiiA:
undetectable		 5ewjC-4yiiA:
13.54
5ewjD-4yiiA:
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.
5gyy S-RECEPTOR KINASE
SRK9

(Brassica rapa) 		PF00954
(S_locus_glycop)
PF01453
(B_lectin)
PF08276
(PAN_2) 		5 ARG A 337
ILE A 371
PHE A 357
PRO A 187
GLU A 211
 None
 1.46A 5ewjC-5gyyA:
undetectable
5ewjD-5gyyA:
undetectable		 5ewjC-5gyyA:
20.32
5ewjD-5gyyA:
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 THR A 568
LEU A 659
ALA A 576
ILE A 575
THR A 632
 None
 1.48A 5ewjC-5hy7A:
undetectable
5ewjD-5hy7A:
undetectable		 5ewjC-5hy7A:
14.94
5ewjD-5hy7A:
16.07
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.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		5 ALA A 411
ILE A 414
THR A 225
PRO A 227
GLU A 229
 None
 1.35A 5ewjC-5i6zA:
undetectable
5ewjD-5i6zA:
undetectable		 5ewjC-5i6zA:
21.38
5ewjD-5i6zA:
19.15
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		5 THR A 300
LEU A 179
ALA A 159
ILE A 298
THR A 249
 None
 1.26A 5ewjC-5iaiA:
2.3
5ewjD-5iaiA:
undetectable		 5ewjC-5iaiA:
21.46
5ewjD-5iaiA:
20.75
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 LEU A 375
ALA A 768
GLN A 872
ILE A 870
PRO A 657
 None
 1.40A 5ewjC-5im3A:
undetectable
5ewjD-5im3A:
undetectable		 5ewjC-5im3A:
18.55
5ewjD-5im3A:
17.91
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.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 THR A 203
PRO A 196
ALA A 226
PHE A 220
GLU A 142
 None
1VU  A 601 (-4.6A)
None
None
None
 1.10A 5ewjC-5jfmA:
4.2
5ewjD-5jfmA:
3.8		 5ewjC-5jfmA:
22.74
5ewjD-5jfmA:
21.72
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.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 THR A 430
ALA A 393
GLN A 300
ILE A 426
THR A 359
 FAD  A 701 (-4.3A)
None
None
None
None
 1.30A 5ewjC-5k3jA:
undetectable
5ewjD-5k3jA:
undetectable		 5ewjC-5k3jA:
20.51
5ewjD-5k3jA:
20.87
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.
5ods CLATHRIN HEAVY CHAIN
1

(Mus musculus) 		no annotation 5 THR A 312
ALA A 307
GLN A 265
ILE A 316
THR A 158
 None
 1.27A 5ewjC-5odsA:
undetectable
5ewjD-5odsA:
undetectable		 5ewjC-5odsA:
13.19
5ewjD-5odsA:
11.68
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.
5olc GALACTONATE
DEHYDRATASE

(Zobellia
galactanivorans) 		no annotation 5 TYR A  43
THR A  37
ALA A 104
ILE A 108
GLU A  47
 None
 1.19A 5ewjC-5olcA:
undetectable
5ewjD-5olcA:
2.2		 5ewjC-5olcA:
13.07
5ewjD-5olcA:
14.01
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 THR A 463
PRO A 447
ILE A 446
PHE A 445
PRO A 637
 None
 1.41A 5ewjC-5opjA:
undetectable
5ewjD-5opjA:
undetectable		 5ewjC-5opjA:
12.50
5ewjD-5opjA:
12.17
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00037
(Fer4)
PF00384
(Molybdopterin)
PF12838
(Fer4_7) 		5 ALA G  26
ILE G  20
PHE B 166
THR F 321
PRO F 319
 None
None
None
K  F 410 (-4.7A)
SF4  G 102 ( 4.8A)
 1.41A 5ewjC-5t5iG:
undetectable
5ewjD-5t5iG:
undetectable		 5ewjC-5t5iG:
11.24
5ewjD-5t5iG:
12.06
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.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 ARG A 180
ALA A 131
ILE A 128
PHE A 125
GLU A 136
 None
 1.39A 5ewjC-5thkA:
6.1
5ewjD-5thkA:
5.1		 5ewjC-5thkA:
21.30
5ewjD-5thkA:
21.53
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.
5tpz GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		7 PRO D  78
ALA D 107
GLN D 110
PHE D 114
THR D 174
PRO D 177
GLU D 236
 None
 0.45A 5ewjC-5tpzD:
19.9
5ewjD-5tpzD:
29.5		 5ewjC-5tpzD:
24.88
5ewjD-5tpzD:
99.72
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.
5u3c CTP SYNTHASE

(Escherichia
coli) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 ARG A 468
ALA A 304
ILE A  55
PRO A 350
GLU A 517
 None
 1.24A 5ewjC-5u3cA:
3.9
5ewjD-5u3cA:
3.4		 5ewjC-5u3cA:
22.60
5ewjD-5u3cA:
23.14
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.
5up2 N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR2A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ALA B 100
ILE B 104
PHE B 107
PRO B 170
GLU B 227
 None
 0.81A 5ewjC-5up2B:
25.3
5ewjD-5up2B:
37.2		 5ewjC-5up2B:
18.85
5ewjD-5up2B:
49.03
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.
5vba LYSOZYME, ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPG1
CHIMERA

(Escherichia
virus T4;
Mycobacterium
kansasii) 		PF00959
(Phage_lysozyme)
PF14011
(ESX-1_EspG) 		5 TYR A 189
THR A 190
LEU A 223
ALA A 168
GLU A 201
 None
 1.29A 5ewjC-5vbaA:
undetectable
5ewjD-5vbaA:
undetectable		 5ewjC-5vbaA:
21.68
5ewjD-5vbaA:
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 TYR A 593
THR A 594
ARG A 607
LEU A 135
ALA A 138
 None
None
SO4  A 712 (-2.8A)
None
None
 1.32A 5ewjC-5wgxA:
4.1
5ewjD-5wgxA:
undetectable		 5ewjC-5wgxA:
19.41
5ewjD-5wgxA:
20.39
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.
6dft -

(-) 		no annotation 5 TYR B  70
ALA B  94
ILE B  92
PHE B  83
THR B 171
 None
 1.11A 5ewjC-6dftB:
undetectable
5ewjD-6dftB:
undetectable		 5ewjC-6dftB:
undetectable
5ewjD-6dftB:
undetectable