SIMILAR PATTERNS OF AMINO ACIDS FOR 5M5C_B_TA1B502_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.
1br2 MYOSIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 GLU A 504
HIS A 495
LEU A 492
THR A 672
ARG A 507
 None
 1.11A 5m5cB-1br2A:
undetectable		 5m5cB-1br2A:
18.24
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.
1ecx AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00266
(Aminotran_5) 		5 VAL A  17
ASP A  14
ALA A 247
GLN A 180
GLY A 183
 None
None
None
PLP  A 500 (-4.0A)
None
 1.16A 5m5cB-1ecxA:
undetectable		 5m5cB-1ecxA:
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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 VAL A 410
ALA A 487
SER A 408
GLN A 320
GLY A 297
 None
 1.17A 5m5cB-1jqkA:
undetectable		 5m5cB-1jqkA:
19.45
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.
1khd ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Pectobacterium
carotovorum) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 GLU A  64
LEU A  72
ALA A  68
SER A  31
LEU A  52
 None
 1.15A 5m5cB-1khdA:
undetectable		 5m5cB-1khdA:
21.80
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.
1lqt FPRA

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		5 ASP A 177
GLU A 430
ALA A 445
GLN A 107
LEU A  42
 None
None
None
FAD  A2457 ( 2.8A)
FAD  A2457 ( 4.3A)
 1.06A 5m5cB-1lqtA:
undetectable		 5m5cB-1lqtA:
23.55
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.
1mbm CHYMOTRYPSIN-LIKE
SERINE PROTEASE

(Equine
arteritis virus) 		PF05579
(Peptidase_S32) 		5 VAL A 133
ALA A  67
THR A  71
GLY A  13
LEU A  49
 None
 1.11A 5m5cB-1mbmA:
undetectable		 5m5cB-1mbmA:
19.81
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.
1q51 MENB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 ASP A  29
LEU A  73
ALA A  76
SER A  79
THR A  88
 None
 1.01A 5m5cB-1q51A:
undetectable		 5m5cB-1q51A:
22.65
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 VAL A 199
LEU A 212
ALA A 191
ARG A 227
GLY A 228
 None
None
None
None
ADP  A 310 (-4.3A)
 1.21A 5m5cB-1rk2A:
4.9		 5m5cB-1rk2A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrc POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		PF13671
(AAA_33) 		5 VAL A 256
ASP A 255
GLU A 259
ARG A 288
LEU A 147
 None
CA  A 701 ( 4.1A)
None
CA  A 701 ( 4.4A)
None
 0.82A 5m5cB-1rrcA:
2.5		 5m5cB-1rrcA:
20.60
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.
1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE

(Thermus
thermophilus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A 124
GLU A 125
ALA A 120
GLY A 172
LEU A 317
 None
 1.20A 5m5cB-1ub7A:
undetectable		 5m5cB-1ub7A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uik ALPHA PRIME SUBUNIT
OF BETA-CONGLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		5 VAL A 397
ASP A 398
ALA A 480
ARG A 363
GLY A 236
 None
 1.16A 5m5cB-1uikA:
undetectable		 5m5cB-1uikA:
22.90
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.
1v0d DNA FRAGMENTATION
FACTOR 40 KDA
SUBUNIT

(Mus musculus) 		PF09230
(DFF40) 		5 VAL A 285
GLU A 188
ARG A 191
GLY A 194
LEU A 193
 None
 1.16A 5m5cB-1v0dA:
undetectable		 5m5cB-1v0dA:
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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 VAL A 340
ALA A 282
THR A 306
GLY A 252
LEU A 335
 None
 1.16A 5m5cB-1w5eA:
23.7		 5m5cB-1w5eA:
22.72
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 VAL A  50
HIS B  83
THR B 267
GLY B 341
LEU B 342
 None
 1.09A 5m5cB-1wytA:
2.3		 5m5cB-1wytA:
22.63
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.
1xss FLUORESCENT PROTEIN

(Favia favus) 		PF01353
(GFP) 		5 VAL A 160
ASP A 159
GLU A 147
LEU A 164
SER A 145
 None
None
None
None
DYG  A  64 ( 2.5A)
 1.18A 5m5cB-1xssA:
undetectable		 5m5cB-1xssA:
18.71
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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		5 GLU A 289
ALA A 509
THR A 471
ARG A 268
LEU A 270
 None
 1.13A 5m5cB-1yi7A:
undetectable		 5m5cB-1yi7A:
20.10
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.
2a1j DNA EXCISION REPAIR
PROTEIN ERCC-1

(Homo sapiens) 		PF14520
(HHH_5) 		5 VAL B 288
ASP B 287
LEU B 260
THR B 256
LEU B 277
 None
None
None
None
HG  B   1 ( 3.8A)
 1.20A 5m5cB-2a1jB:
undetectable		 5m5cB-2a1jB:
12.65
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.
2ci6 NG,
NG-DIMETHYLARGININE
DIMETHYLAMINOHYDROLA
SE 1

(Bos taurus) 		PF02274
(Amidinotransf) 		5 VAL A  76
ASP A  78
GLU A 100
ARG A  97
LEU A  24
 None
ZN  A1281 ( 4.1A)
None
None
None
 1.02A 5m5cB-2ci6A:
undetectable		 5m5cB-2ci6A:
21.30
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.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		5 ASP A 257
GLU A  72
THR A 135
ARG A 165
GLY A 166
 None
 1.06A 5m5cB-2cw6A:
2.7		 5m5cB-2cw6A:
21.50
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.
2d1f THREONINE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 LEU A  81
ALA A  80
SER A 160
THR A  33
GLY A 172
 None
 1.14A 5m5cB-2d1fA:
undetectable		 5m5cB-2d1fA:
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.
2enj PROTEIN KINASE C
THETA TYPE

(Homo sapiens) 		no annotation 5 ASP A  61
LEU A  32
THR A  85
GLY A   8
LEU A   9
 None
 1.21A 5m5cB-2enjA:
undetectable		 5m5cB-2enjA:
15.63
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.
2gko SUBTILISIN
MICROBIAL SERINE
PROTEINASES

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 VAL A 188
GLU A 225
LEU A 139
ALA A 164
GLY A 222
 None
 1.16A 5m5cB-2gkoA:
undetectable		 5m5cB-2gkoA:
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.
2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermotoga
maritima) 		PF01174
(SNO) 		5 VAL D  12
ASP D  11
GLN D  93
GLY D  80
LEU D  83
 None
 1.02A 5m5cB-2issD:
undetectable		 5m5cB-2issD:
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.
2iy9 SUBA

(Escherichia
coli) 		PF00082
(Peptidase_S8) 		5 VAL A 320
ASP A 306
ALA A 251
GLY A  31
LEU A  32
 None
 1.10A 5m5cB-2iy9A:
2.4		 5m5cB-2iy9A:
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.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF01380
(SIS)
PF13522
(GATase_6) 		5 GLU A 481
ALA A 404
SER A 401
GLY A 307
LEU A 346
 None
None
G6Q  A1610 (-4.1A)
None
None
 1.20A 5m5cB-2j6hA:
3.9		 5m5cB-2j6hA:
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.
2nzt HEXOKINASE-2

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 VAL A  97
GLU A  76
LEU A  93
ALA A 454
GLY A 218
 None
 1.19A 5m5cB-2nztA:
undetectable		 5m5cB-2nztA:
19.25
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 5 VAL A 194
ASP A 198
GLU A 195
LEU A 188
THR A 674
 None
 1.12A 5m5cB-2po4A:
undetectable		 5m5cB-2po4A:
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.
2pvs PANCREATIC
LIPASE-RELATED
PROTEIN 2

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA A  81
SER A  84
THR A 128
ARG A 111
GLY A 109
 None
None
None
SO4  A 451 ( 3.0A)
None
 1.20A 5m5cB-2pvsA:
2.5		 5m5cB-2pvsA:
21.82
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASP A 221
ALA A 199
SER A 200
GLY A 225
LEU A 190
 None
None
None
PLP  A 406 (-3.3A)
None
 1.01A 5m5cB-2qghA:
undetectable		 5m5cB-2qghA:
21.97
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 273
ALA A 224
THR A 127
GLY A 152
LEU A 151
 None
 1.13A 5m5cB-2qo3A:
undetectable		 5m5cB-2qo3A:
17.95
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.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		6 ASP A 213
ALA A  45
SER A  44
THR A 106
GLY A 197
LEU A 198
 ZN  A 277 (-2.0A)
None
None
None
None
None
 1.36A 5m5cB-2r2dA:
undetectable		 5m5cB-2r2dA:
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.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		5 ASP A 361
LEU A 295
SER A 368
GLY A 358
LEU A 357
 None
HBI  A 500 (-4.2A)
HBI  A 500 ( 4.1A)
None
None
 1.17A 5m5cB-2tohA:
undetectable		 5m5cB-2tohA:
21.46
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.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		5 ASP A  18
ALA A  11
THR A 118
ARG A 270
GLY A 271
 None
 1.20A 5m5cB-2veoA:
2.4		 5m5cB-2veoA:
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.
2vg8 HYDROQUINONE
GLUCOSYLTRANSFERASE

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 LEU A 396
ALA A 382
ARG A 421
GLY A 425
LEU A 426
 None
 1.01A 5m5cB-2vg8A:
4.2		 5m5cB-2vg8A:
23.48
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.
2y0k PYROGLUTATMATE PORIN
OPDO

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 LEU A 298
ALA A 257
SER A 248
ARG A 225
GLY A 244
 C8E  A1390 (-3.9A)
None
None
None
None
 1.20A 5m5cB-2y0kA:
undetectable		 5m5cB-2y0kA:
21.66
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 HIS A 215
LEU A 113
SER A 180
ARG A 383
GLY A  87
 ZN  A5648 (-3.4A)
None
THM  A6510 ( 4.7A)
PO4  A5646 (-2.9A)
None
 0.92A 5m5cB-2z1aA:
undetectable		 5m5cB-2z1aA:
21.04
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.
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1

(Homo sapiens) 		PF01380
(SIS) 		5 GLU A 553
ALA A 476
SER A 473
GLY A 380
LEU A 419
 None
 1.19A 5m5cB-2zj4A:
3.8		 5m5cB-2zj4A:
22.32
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.
3adf MONOMERIC AZAMI
GREEN

(Galaxea
fascicularis) 		PF01353
(GFP) 		5 VAL A 157
ASP A 156
GLU A 144
LEU A 161
SER A 142
 None
None
None
None
CRQ  A  64 ( 2.8A)
 1.19A 5m5cB-3adfA:
undetectable		 5m5cB-3adfA:
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.
3d0q PROTEIN CALG3

(Micromonospora
echinospora) 		PF06722
(DUF1205) 		5 VAL A  33
GLU A  35
LEU A  45
ALA A  40
GLY A  10
 None
 1.20A 5m5cB-3d0qA:
2.1		 5m5cB-3d0qA:
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		5 VAL A 189
GLU A 226
LEU A 140
ALA A 165
GLY A 223
 None
 1.17A 5m5cB-3d43A:
undetectable		 5m5cB-3d43A:
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.
3djl PROTEIN AIDB

(Escherichia
coli) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 VAL A  82
ASP A  81
ALA A 267
ARG A 242
LEU A 179
 None
 1.10A 5m5cB-3djlA:
undetectable		 5m5cB-3djlA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3du4 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 GLU A 217
LEU A  55
THR A 409
GLY A 225
LEU A 412
 PLP  A 450 (-4.2A)
None
None
None
None
 1.18A 5m5cB-3du4A:
undetectable		 5m5cB-3du4A:
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 VAL A 324
ASP A 323
LEU A 328
GLY A 315
LEU A 318
 None
 1.00A 5m5cB-3fjoA:
3.2		 5m5cB-3fjoA:
19.91
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.
3fpn GEOBACILLUS
STEAROTHERMOPHILUS
UVRA INTERACTION
DOMAIN
GEOBACILLUS
STEAROTHERMOPHILUS
UVRB INTERACTION
DOMAIN

(Geobacillus
stearothermophilus) 		no annotation 6 VAL B 199
ASP B 198
GLU B 215
THR A 165
ARG A 176
LEU A 186
 None
 1.33A 5m5cB-3fpnB:
undetectable		 5m5cB-3fpnB:
17.80
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.
3h4p PROTEASOME SUBUNIT
BETA

(Methanocaldococcus
jannaschii) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ASP a 197
GLU a 196
LEU a  20
ALA a 185
GLN a  59
 None
 0.87A 5m5cB-3h4pa:
undetectable		 5m5cB-3h4pa:
18.01
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.
3kb3 PROTEIN PHOSPHATASE
2C 16

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 VAL B 330
ALA B 349
SER B 361
GLY B 433
LEU B 434
 None
 1.19A 5m5cB-3kb3B:
undetectable		 5m5cB-3kb3B:
20.59
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.
3nyf D-ARGININE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF01266
(DAO) 		5 VAL A1030
GLU A1032
ALA A1016
THR A1337
GLY A1200
 None
FAD  A1500 (-2.6A)
None
None
FAD  A1500 (-3.5A)
 1.10A 5m5cB-3nyfA:
undetectable		 5m5cB-3nyfA:
22.69
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.
3qfs NADPH--CYTOCHROME
P450 REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 VAL A 347
ASP A 346
LEU A 351
GLY A 338
LEU A 341
 None
 1.07A 5m5cB-3qfsA:
undetectable		 5m5cB-3qfsA:
21.15
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.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 VAL A  64
ASP A  66
GLU A  88
ARG A  85
LEU A  14
 None
HM3  A 255 (-4.3A)
None
HM3  A 255 ( 4.7A)
None
 1.08A 5m5cB-3rhyA:
undetectable		 5m5cB-3rhyA:
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.
3sc4 SHORT CHAIN
DEHYDROGENASE
(A0QTM2 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF00106
(adh_short) 		5 VAL A 127
LEU A 144
SER A  11
THR A 238
GLY A 168
 None
 1.13A 5m5cB-3sc4A:
6.6		 5m5cB-3sc4A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 VAL A 105
ASP A 104
ALA A  85
SER A  80
GLY A 101
 None
 1.20A 5m5cB-3syjA:
undetectable		 5m5cB-3syjA:
18.25
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.
3ujk PROTEIN PHOSPHATASE
2C 77

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 VAL A 235
ALA A 254
SER A 266
GLY A 338
LEU A 339
 None
None
None
MG  A 424 ( 4.8A)
None
 1.16A 5m5cB-3ujkA:
undetectable		 5m5cB-3ujkA:
21.80
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.
3wqu CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 VAL A 211
ASP A 210
GLU A 229
LEU A  78
SER A 227
 ATP  A 501 (-4.1A)
None
None
None
None
 1.10A 5m5cB-3wquA:
undetectable		 5m5cB-3wquA:
22.62
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.
3wt0 CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 VAL A 211
ASP A 210
GLU A 229
LEU A  78
SER A 227
 ATP  A 400 (-4.0A)
None
None
None
None
 1.10A 5m5cB-3wt0A:
undetectable		 5m5cB-3wt0A:
23.38
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.
4aez WD REPEAT-CONTAINING
PROTEIN SLP1

(Schizosaccharomyces
pombe) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 ASP A 180
ALA A 197
ARG A 265
GLY A 241
LEU A 240
 None
 1.19A 5m5cB-4aezA:
undetectable		 5m5cB-4aezA:
21.55
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.
4e3e MAOC DOMAIN PROTEIN
DEHYDRATASE

(Chloroflexus
aurantiacus) 		PF01575
(MaoC_dehydratas) 		5 ASP A 210
LEU A 341
ALA A 258
GLY A 265
LEU A 266
 None
 1.17A 5m5cB-4e3eA:
undetectable		 5m5cB-4e3eA:
22.80
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.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 VAL A 483
ASP A 442
LEU A 616
THR A 620
ARG A 478
 None
 1.18A 5m5cB-4fm9A:
3.1		 5m5cB-4fm9A:
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.
4guz PROBABLE ARYLAMINE
N-ACETYL TRANSFERASE

(Mycobacteroides
abscessus) 		PF00797
(Acetyltransf_2) 		5 ASP A  46
GLU A  43
ALA A 214
ARG A  69
LEU A 252
 None
 0.98A 5m5cB-4guzA:
undetectable		 5m5cB-4guzA:
20.83
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 HIS A 220
LEU A 115
SER A 185
ARG A 395
GLY A  89
 ZN  A 602 (-3.3A)
None
None
PO4  A 604 (-2.9A)
None
 1.02A 5m5cB-4h1sA:
undetectable		 5m5cB-4h1sA:
21.09
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.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		5 VAL B  30
ASP B  19
ALA B  61
THR B  84
ARG B  65
 None
 1.19A 5m5cB-4hxeB:
3.1		 5m5cB-4hxeB:
20.34
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.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A  67
ALA A  47
THR A 247
ARG A 322
GLY A 160
 None
None
None
EDO  A 402 (-4.0A)
EDO  A 402 (-3.6A)
 1.08A 5m5cB-4jxkA:
2.1		 5m5cB-4jxkA:
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		5 VAL B  23
ALA B 100
SER B 104
GLY B  77
LEU B 118
 None
 1.13A 5m5cB-4k7gB:
undetectable		 5m5cB-4k7gB:
19.72
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.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		5 ASP A  85
HIS A 122
SER A 158
ARG A  92
GLY A 105
 None
 1.18A 5m5cB-4k9sA:
5.3		 5m5cB-4k9sA:
22.03
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.
4lmh EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT OMCA

(Shewanella
oneidensis) 		no annotation 5 ASP A 450
LEU A 682
ARG A 558
GLY A 653
LEU A 652
 None
None
HEC  A 808 (-4.2A)
None
HEC  A 809 ( 4.8A)
 1.21A 5m5cB-4lmhA:
undetectable		 5m5cB-4lmhA:
18.71
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.
4n0g PROTEIN PHOSPHATASE
2C 37

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 VAL A 225
ALA A 244
SER A 256
GLY A 328
LEU A 329
 None
 1.16A 5m5cB-4n0gA:
undetectable		 5m5cB-4n0gA:
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.
4oic PROBABLE PROTEIN
PHOSPHATASE 2C 6

(Oryza sativa) 		PF00481
(PP2C) 		5 VAL B 284
ALA B 303
SER B 315
GLY B 387
LEU B 388
 None
 1.16A 5m5cB-4oicB:
undetectable		 5m5cB-4oicB:
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.
4q2e PHOSPHATIDATE
CYTIDYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01148
(CTP_transf_1) 		5 VAL A 156
LEU A 272
ALA A 275
SER A 278
LEU A 142
 None
 1.05A 5m5cB-4q2eA:
undetectable		 5m5cB-4q2eA:
22.53
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.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 LEU A 352
ALA A 408
THR A 415
GLY A 396
LEU A  58
 None
None
EDO  A 507 (-4.3A)
None
None
 1.14A 5m5cB-4w1wA:
undetectable		 5m5cB-4w1wA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w6v DI-/TRIPEPTIDE
TRANSPORTER

(Yersinia
enterocolitica) 		PF00854
(PTR2) 		6 LEU A 301
ALA A 305
SER A 309
THR A 430
GLY A 378
LEU A 423
 None
 1.47A 5m5cB-4w6vA:
undetectable		 5m5cB-4w6vA:
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.
4z1a 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Helicobacter
pylori) 		PF00793
(DAHP_synth_1) 		5 VAL A 233
ALA A 229
THR A 203
GLY A 237
LEU A 238
 None
 1.11A 5m5cB-4z1aA:
2.1		 5m5cB-4z1aA:
22.15
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.
5b3f PHOSPHORIBULOKINASE/
URIDINE KINASE

(Methanospirillum
hungatei) 		PF00485
(PRK) 		5 VAL A  51
ASP A  52
GLU A 120
HIS A 123
GLY A  27
 None
None
SO4  A 401 ( 4.2A)
None
SO4  A 401 (-3.2A)
 1.15A 5m5cB-5b3fA:
3.2		 5m5cB-5b3fA:
22.12
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.
5cws NUCLEOPORIN NSP1
NUCLEOPORIN NUP57

(Chaetomium
thermophilum) 		PF05064
(Nsp1_C)
PF13874
(Nup54) 		5 LEU E 287
ALA E 283
THR C 617
GLY E 276
LEU E 275
 None
None
OS  C 701 (-3.2A)
None
None
 1.02A 5m5cB-5cwsE:
undetectable		 5m5cB-5cwsE:
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.
5dm3 L-GLUTAMINE
SYNTHETASE

(Chromohalobacter
salexigens) 		PF00120
(Gln-synt_C) 		5 ASP A 424
LEU A 434
ALA A 430
ARG A 415
GLY A 410
 None
 0.96A 5m5cB-5dm3A:
undetectable		 5m5cB-5dm3A:
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.
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 LEU A 183
ALA A 136
SER A 135
GLY A 103
LEU A 102
 None
None
None
None
ATP  A1691 ( 4.9A)
 1.19A 5m5cB-5fwmA:
undetectable		 5m5cB-5fwmA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 LEU A 183
ALA A 136
THR A 179
GLY A 103
LEU A 102
 None
None
ATP  A1691 (-4.4A)
None
ATP  A1691 ( 4.9A)
 1.16A 5m5cB-5fwmA:
undetectable		 5m5cB-5fwmA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h83 HETEROYOHIMBINE
SYNTHASE HYS

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 322
ASP A 321
HIS A 156
LEU A 155
ARG A 198
 None
 1.16A 5m5cB-5h83A:
undetectable		 5m5cB-5h83A:
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A  89
LEU A  44
SER A  95
THR A 212
GLY A  18
 None
 0.96A 5m5cB-5i68A:
undetectable		 5m5cB-5i68A:
19.27
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		5 VAL A 594
ASP A 595
SER A 168
THR A 203
ARG A 117
 None
 1.13A 5m5cB-5ivaA:
undetectable		 5m5cB-5ivaA:
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.
5kbe MOPR

(Acinetobacter
calcoaceticus) 		PF02830
(V4R)
PF06505
(XylR_N) 		5 ASP A  82
LEU A 159
ALA A 162
SER A 166
GLY A 107
 None
None
IPH  A 602 ( 3.9A)
IPH  A 602 (-3.6A)
None
 1.14A 5m5cB-5kbeA:
undetectable		 5m5cB-5kbeA:
18.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe) 		no annotation 5 ASP A  26
HIS A 227
LEU A 228
ALA A 231
LEU A 360
 None
 0.71A 5m5cB-5mjsA:
56.7		 5m5cB-5mjsA:
58.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 8 VAL B  23
ASP B  26
HIS B 229
LEU B 230
ALA B 233
THR B 276
GLN B 281
GLY B 370
 None
 1.08A 5m5cB-5n5nB:
58.7		 5m5cB-5n5nB:
97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 VAL B  23
ASP B  26
HIS B 229
SER B 236
THR B 276
GLN B 281
GLY B 370
 None
 0.94A 5m5cB-5n5nB:
58.7		 5m5cB-5n5nB:
97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 8 VAL B  23
ASP B  26
LEU B 230
ALA B 233
THR B 276
GLN B 281
GLY B 370
LEU B 371
 None
 1.07A 5m5cB-5n5nB:
58.7		 5m5cB-5n5nB:
97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 VAL B  23
ASP B  26
SER B 236
THR B 276
GLN B 281
GLY B 370
LEU B 371
 None
 1.02A 5m5cB-5n5nB:
58.7		 5m5cB-5n5nB:
97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 VAL B  23
GLU B  27
HIS B 229
LEU B 230
ALA B 233
THR B 276
GLN B 281
 None
 1.10A 5m5cB-5n5nB:
58.7		 5m5cB-5n5nB:
97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 VAL B  23
GLU B  27
LEU B 230
ALA B 233
THR B 276
GLN B 281
LEU B 371
 None
 1.15A 5m5cB-5n5nB:
58.7		 5m5cB-5n5nB:
97.88
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.
5ol8 TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 6 LEU A 189
ALA A 347
SER A 172
GLN A 302
ARG A 293
GLY A 296
 None
 1.49A 5m5cB-5ol8A:
undetectable		 5m5cB-5ol8A:
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.
5ola TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ALA A 347
SER A 172
GLN A 302
ARG A 293
GLY A 296
 None
 1.04A 5m5cB-5olaA:
undetectable		 5m5cB-5olaA:
20.79
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.
5vxz GROWTH
ARREST-SPECIFIC
PROTEIN 6
TYROSINE-PROTEIN
KINASE RECEPTOR UFO

(Homo sapiens) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2)
PF13927
(Ig_3) 		5 VAL C  79
LEU A 421
ARG A 299
GLY A 298
LEU A 297
 None
 1.15A 5m5cB-5vxzC:
undetectable		 5m5cB-5vxzC:
11.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		6 GLU B  27
LEU B 228
THR B 274
GLN B 279
GLY B 360
LEU B 361
 TA1  B 502 (-3.6A)
None
TA1  B 502 (-4.7A)
TA1  B 502 ( 4.3A)
TA1  B 502 (-3.6A)
TA1  B 502 (-3.7A)
 1.18A 5m5cB-5w3jB:
58.5		 5m5cB-5w3jB:
77.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		7 VAL B  23
ASP B  26
GLU B  27
LEU B 228
THR B 274
GLN B 279
GLY B 360
 TA1  B 502 (-3.9A)
TA1  B 502 (-4.1A)
TA1  B 502 (-3.6A)
None
TA1  B 502 (-4.7A)
TA1  B 502 ( 4.3A)
TA1  B 502 (-3.6A)
 1.10A 5m5cB-5w3jB:
58.5		 5m5cB-5w3jB:
77.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		6 VAL B  23
ASP B  26
SER B 234
THR B 274
GLN B 279
GLY B 360
 TA1  B 502 (-3.9A)
TA1  B 502 (-4.1A)
TA1  B 502 ( 4.9A)
TA1  B 502 (-4.7A)
TA1  B 502 ( 4.3A)
TA1  B 502 (-3.6A)
 0.95A 5m5cB-5w3jB:
58.5		 5m5cB-5w3jB:
77.26
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.
5x8o INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 5 VAL A  27
ALA A 460
THR A  37
GLY A 449
LEU A 451
 None
 1.12A 5m5cB-5x8oA:
undetectable		 5m5cB-5x8oA:
12.14
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.
5x9r CITRATE-SODIUM
SYMPORTER

(Klebsiella
pneumoniae) 		PF03390
(2HCT) 		5 VAL A 178
ALA A 155
SER A 156
THR A 394
GLY A 431
 None
 1.19A 5m5cB-5x9rA:
undetectable		 5m5cB-5x9rA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 5 VAL A  88
LEU A  96
ALA A  98
THR A 365
GLY A  33
 None
 1.16A 5m5cB-6arrA:
undetectable		 5m5cB-6arrA:
12.60
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.
6dfp VCA0883

(Vibrio cholerae) 		no annotation 5 ASP A 152
ALA A  57
SER A  56
THR A  26
GLY A 144
 None
 1.22A 5m5cB-6dfpA:
undetectable		 5m5cB-6dfpA:
10.96
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 GLU L 376
ALA L 307
ARG L 424
GLY L 423
LEU L 418
 None
 1.15A 5m5cB-6ehsL:
undetectable		 5m5cB-6ehsL:
11.27
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.
6fpd PROTEIN AB21

(Agaricus
bisporus) 		no annotation 5 VAL A 128
ALA A 134
THR A  18
GLY A  85
LEU A 187
 None
 1.20A 5m5cB-6fpdA:
undetectable		 5m5cB-6fpdA:
12.25
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 VAL A 183
ASP A 186
THR A 101
GLY A  81
LEU A  84
 None
 1.02A 5m5cB-6frvA:
undetectable		 5m5cB-6frvA:
14.71
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.
6fsh OXYB PROTEIN

(Actinoplanes
teichomyceticus) 		no annotation 5 VAL A 297
ALA A  45
THR A 287
GLY A  56
LEU A  55
 None
None
HEM  A 401 (-3.8A)
None
None
 1.19A 5m5cB-6fshA:
undetectable		 5m5cB-6fshA:
12.31