SIMILAR PATTERNS OF AMINO ACIDS FOR 4MDA_A_RLTA403

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.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		4 ASP A 221
ALA A 219
TYR A 216
ASP A 223
 None
 1.18A 4mdaA-1bl5A:
0.0		 4mdaA-1bl5A:
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.
1h3m 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Escherichia
coli) 		PF01128
(IspD) 		4 ASP A 115
ASP A 116
ASN A 211
ALA A 134
 None
 1.16A 4mdaA-1h3mA:
0.0		 4mdaA-1h3mA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1irx LYSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01921
(tRNA-synt_1f) 		4 ASP A  66
ASP A 221
ALA A 173
ASP A  69
 None
 1.19A 4mdaA-1irxA:
0.3		 4mdaA-1irxA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jp4 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE

(Rattus
norvegicus) 		PF00459
(Inositol_P) 		4 ASP A 117
ASP A 247
ASN A 280
ASP A 120
 MG  A 702 (-2.5A)
MG  A 701 ( 2.7A)
None
MG  A 701 (-3.1A)
 1.21A 4mdaA-1jp4A:
0.0		 4mdaA-1jp4A:
21.79
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.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 ASP A 148
ASN A 150
ALA A 199
TYR A 186
 NAD  A 900 (-3.0A)
None
None
None
 1.18A 4mdaA-1la2A:
0.0		 4mdaA-1la2A:
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.
1lht MYOGLOBIN

(Caretta caretta) 		PF00042
(Globin) 		4 ASP A 141
ASN A 140
ALA A 143
TYR A 146
 None
 1.14A 4mdaA-1lhtA:
undetectable		 4mdaA-1lhtA:
24.29
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.
1mbs MYOGLOBIN

(Phoca vitulina) 		PF00042
(Globin) 		4 ASP A 141
ASN A 140
ALA A 143
TYR A 146
 None
 1.07A 4mdaA-1mbsA:
undetectable		 4mdaA-1mbsA:
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.
1sk4 PEPTIDOGLYCAN
RECOGNITION PROTEIN
I-ALPHA

(Homo sapiens) 		PF01510
(Amidase_2) 		4 ASP A 270
ASN A 269
ALA A 272
TYR A 203
 None
 0.99A 4mdaA-1sk4A:
0.0		 4mdaA-1sk4A:
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.
1sxj ACTIVATOR 1 37 KDA
SUBUNIT
ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF08542
(Rep_fac_C) 		4 ASP A 586
ASN B 145
TYR B 163
ASP A 584
 None
AGS  B 802 (-3.1A)
None
None
 1.20A 4mdaA-1sxjA:
0.0		 4mdaA-1sxjA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 917
ASN A 863
TYR A1147
ASP A 926
 CA  A2002 ( 2.8A)
None
None
CA  A2001 ( 2.2A)
 1.02A 4mdaA-1ux6A:
0.0		 4mdaA-1ux6A:
22.09
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASP A 777
ASN A 776
ALA A 755
ASP A 806
 None
MAN  A7007 ( 3.1A)
None
None
 1.05A 4mdaA-1xc6A:
1.7		 4mdaA-1xc6A:
11.71
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.
1y8a HYPOTHETICAL PROTEIN
AF1437

(Archaeoglobus
fulgidus) 		no annotation 4 ASP A   5
ASP A 211
TYR A 233
ASP A 207
 MG  A 501 (-2.7A)
MG  A 501 ( 4.6A)
None
MG  A 501 (-2.6A)
 1.09A 4mdaA-1y8aA:
undetectable		 4mdaA-1y8aA:
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 ASP A 116
ASN A 117
TYR A 112
ASP A 277
 None
 1.20A 4mdaA-1zl6A:
undetectable		 4mdaA-1zl6A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 ASP A 135
ALA A  70
TYR A  37
ASP A  66
 None
 0.82A 4mdaA-2a2dA:
undetectable		 4mdaA-2a2dA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		4 ASP A 240
ASN A 239
ALA A 238
ASP A 230
 ZN  A1001 ( 2.4A)
None
None
None
 1.09A 4mdaA-2ek8A:
undetectable		 4mdaA-2ek8A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fcw LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a) 		4 ASP B 112
ASP B 118
ALA B 120
ASP B 108
 CA  B3001 (-3.3A)
CA  B3001 (-3.3A)
None
CA  B3001 (-2.9A)
 1.21A 4mdaA-2fcwB:
undetectable		 4mdaA-2fcwB:
15.70
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.
2gx8 NIF3-RELATED PROTEIN

(Bacillus cereus) 		PF01784
(NIF3) 		4 ASP A 107
ALA A 109
TYR A  18
ASP A  27
 ZN  A 375 (-2.3A)
None
None
None
 1.18A 4mdaA-2gx8A:
undetectable		 4mdaA-2gx8A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iee PROBABLE ABC
TRANSPORTER
EXTRACELLULAR-BINDIN
G PROTEIN YCKB

(Bacillus
subtilis) 		PF00497
(SBP_bac_3) 		4 ASP A  90
ASN A  89
TYR A  49
ASP A 180
 None
 1.21A 4mdaA-2ieeA:
undetectable		 4mdaA-2ieeA:
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.
2kxp F-ACTIN-CAPPING
PROTEIN SUBUNIT BETA
ISOFORMS 1 AND 2

(Gallus gallus) 		PF01115
(F_actin_cap_B) 		4 ASP B 405
ASN B 401
ALA B 403
ASP B 409
 None
 1.13A 4mdaA-2kxpB:
undetectable		 4mdaA-2kxpB:
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.
2nzu CATABOLITE CONTROL
PROTEIN

(Bacillus
megaterium) 		PF13377
(Peripla_BP_3) 		4 ASP G  99
ASP G  69
ASN G  72
ALA G  76
 None
None
BG6  G1092 (-3.7A)
None
 1.06A 4mdaA-2nzuG:
undetectable		 4mdaA-2nzuG:
20.35
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.
2om6 PROBABLE
PHOSPHOSERINE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		4 ASP A  10
ASP A 188
ALA A 186
ASP A 183
 SO4  A1300 ( 4.9A)
None
None
None
 1.20A 4mdaA-2om6A:
undetectable		 4mdaA-2om6A:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pgs PUTATIVE
DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Pseudomonas
savastanoi) 		PF01966
(HD) 		4 ASP A 110
ALA A 108
TYR A 183
ASP A 243
 None
 1.21A 4mdaA-2pgsA:
undetectable		 4mdaA-2pgsA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q66 POLY(A) POLYMERASE

(Saccharomyces
cerevisiae) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		4 ASP A 102
ASN A 226
ALA A 225
ASP A 100
 MG  A 602 ( 2.6A)
ATP  A 605 (-3.5A)
None
MG  A 602 ( 2.6A)
 1.15A 4mdaA-2q66A:
undetectable		 4mdaA-2q66A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		4 ASP A 300
ASP A 298
ALA A 257
ASP A  62
 MG  A 349 ( 2.4A)
MG  A 349 (-2.6A)
None
MG  A 348 (-2.9A)
 1.13A 4mdaA-2qtyA:
undetectable		 4mdaA-2qtyA:
19.06
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 ASP A 937
ASN A 883
TYR A1167
ASP A 946
 CA  A   2 ( 2.6A)
None
None
CA  A1173 ( 2.1A)
 1.05A 4mdaA-2rhpA:
undetectable		 4mdaA-2rhpA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wp4 MOLYBDOPTERIN-CONVER
TING FACTOR SUBUNIT
2 1

(Mycobacterium
tuberculosis) 		PF02391
(MoaE) 		4 ASP A  98
ASN A  43
ALA A 100
TYR A  58
 None
 1.18A 4mdaA-2wp4A:
undetectable		 4mdaA-2wp4A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		4 ASP A 385
ASP A 730
ALA A 750
ASP A 726
 None
 1.19A 4mdaA-2yn9A:
undetectable		 4mdaA-2yn9A:
11.00
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.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		4 ASP A 214
ASP A 225
ALA A 220
ASP A 216
 CA  A1005 ( 2.7A)
CA  A1004 (-3.2A)
None
CA  A1004 ( 2.9A)
 1.16A 4mdaA-2z2zA:
undetectable		 4mdaA-2z2zA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		4 ASP A 200
ALA A 226
TYR A 225
ASP A 198
 DG3  A 576 (-2.6A)
None
None
MG  A 577 (-2.8A)
 1.15A 4mdaA-3auoA:
undetectable		 4mdaA-3auoA:
18.38
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.
3axy 14-3-3-LIKE PROTEIN
GF14-C

(Oryza sativa) 		PF00244
(14-3-3) 		4 ASP C 190
ASN C 194
ALA C 192
TYR C 183
 None
 1.21A 4mdaA-3axyC:
undetectable		 4mdaA-3axyC:
24.25
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.
3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL

(Lactococcus
lactis) 		PF02734
(Dak2) 		4 ASP A  36
ASP A  34
TYR A 164
ASP A  29
 MG  A1212 (-2.5A)
MG  A1213 (-2.7A)
None
MG  A1212 ( 2.6A)
 1.13A 4mdaA-3cr3A:
undetectable		 4mdaA-3cr3A:
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.
3cx3 LIPOPROTEIN

(Streptococcus
pneumoniae) 		PF01297
(ZnuA) 		4 ASP A  79
ASN A  78
ALA A  81
TYR A  84
 None
 1.12A 4mdaA-3cx3A:
undetectable		 4mdaA-3cx3A:
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.
3d3y UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF05193
(Peptidase_M16_C) 		4 ASP A 363
ASN A 364
ALA A 361
TYR A 358
 None
 1.18A 4mdaA-3d3yA:
undetectable		 4mdaA-3d3yA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 ASP A 482
ASN A 505
ALA A 506
ASP A 568
 None
 1.01A 4mdaA-3dlaA:
undetectable		 4mdaA-3dlaA:
14.62
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		4 ASP X 158
ASN X 307
ALA X 311
TYR X 315
 None
 1.20A 4mdaA-3e13X:
undetectable		 4mdaA-3e13X:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ech 25-MER FRAGMENT OF
PROTEIN ARMR

(Pseudomonas
aeruginosa) 		no annotation 4 ASP C  46
ASN C  43
ALA C  44
TYR C  48
 None
 1.09A 4mdaA-3echC:
undetectable		 4mdaA-3echC:
9.30
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.
3ek2 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		4 ASP A 138
ASP A  86
ALA A  33
ASP A 235
 None
 1.15A 4mdaA-3ek2A:
undetectable		 4mdaA-3ek2A:
20.63
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.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 ASN A 217
ALA A 221
TYR A 225
ASP A 288
 None
 1.14A 4mdaA-3h2zA:
undetectable		 4mdaA-3h2zA:
18.39
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.
3j0a TOLL-LIKE RECEPTOR 5

(Homo sapiens) 		PF01582
(TIR)
PF13855
(LRR_8) 		4 ASP A 390
ASP A 366
ALA A 320
TYR A 321
 None
None
FUC  A1343 (-3.3A)
None
 1.06A 4mdaA-3j0aA:
undetectable		 4mdaA-3j0aA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k50 PUTATIVE S41
PROTEASE

(Bacteroides
fragilis) 		PF03572
(Peptidase_S41) 		4 ASN A 113
ALA A 114
TYR A 100
ASP A 395
 None
None
None
GOL  A   2 ( 4.9A)
 1.17A 4mdaA-3k50A:
undetectable		 4mdaA-3k50A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ke6 PROTEIN
RV1364C/MT1410

(Mycobacterium
tuberculosis) 		PF07228
(SpoIIE)
PF13581
(HATPase_c_2) 		4 ASP A 211
ASP A 194
TYR A 385
ASP A 328
 MN  A   2 ( 2.5A)
None
None
MN  A   2 (-2.4A)
 1.04A 4mdaA-3ke6A:
undetectable		 4mdaA-3ke6A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kum DIPEPTIDE EPIMERASE

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 318
ASP A 320
ALA A 338
ASP A 132
 ARG  A 355 (-2.8A)
ARG  A 355 (-3.3A)
None
None
 1.05A 4mdaA-3kumA:
undetectable		 4mdaA-3kumA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lfu DNA HELICASE II

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 ASP A 328
ASN A 325
ALA A 615
TYR A 614
 None
 1.09A 4mdaA-3lfuA:
undetectable		 4mdaA-3lfuA:
15.15
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.
3luf TWO-COMPONENT SYSTEM
RESPONSE
REGULATOR/GGDEF
DOMAIN PROTEIN

(Aeromonas
salmonicida) 		PF00072
(Response_reg) 		4 ASP A 222
ASN A 221
ALA A 220
TYR A 215
 None
 1.20A 4mdaA-3lufA:
undetectable		 4mdaA-3lufA:
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.
3oev PROTEASOME COMPONENT
Y13

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 ASP B 218
ASN B 218
ALA B 217
TYR B 220
 None
 1.18A 4mdaA-3oevB:
undetectable		 4mdaA-3oevB:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdd GLYCOSIDE HYDROLASE,
FAMILY 9

(Ruminiclostridium
thermocellum) 		no annotation 4 ASP A 119
ALA A 161
TYR A 162
ASP A 164
 CA  A 193 (-2.1A)
None
None
None
 1.10A 4mdaA-3pddA:
undetectable		 4mdaA-3pddA:
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.
3rpb RABPHILIN 3-A

(Rattus
norvegicus) 		PF00168
(C2) 		4 ASP A 577
ASN A 573
ALA A 572
ASP A 631
 None
 1.16A 4mdaA-3rpbA:
undetectable		 4mdaA-3rpbA:
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.
3rpb RABPHILIN 3-A

(Rattus
norvegicus) 		PF00168
(C2) 		4 ASP A 633
ASP A 571
ASN A 573
ASP A 631
 None
 1.07A 4mdaA-3rpbA:
undetectable		 4mdaA-3rpbA:
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.
3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE

(Pseudomonas sp.
AC2) 		PF13419
(HAD_2) 		4 ASP A  12
ALA A 145
TYR A 151
ASP A 185
 GOL  A 301 (-3.1A)
None
GOL  A 304 (-3.4A)
GOL  A 301 ( 4.6A)
 1.02A 4mdaA-3smvA:
undetectable		 4mdaA-3smvA:
19.77
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.
3umc HALOACID
DEHALOGENASE

(Pseudomonas
aeruginosa) 		PF13419
(HAD_2) 		4 ASP A   7
ALA A 145
TYR A 151
ASP A 181
 CL  A 234 (-4.0A)
None
None
None
 1.21A 4mdaA-3umcA:
undetectable		 4mdaA-3umcA:
20.70
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.
3zo9 TREHALOSE
SYNTHASE/AMYLASE
TRES

(Mycolicibacterium
smegmatis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASP A 351
ASN A 274
ALA A 273
TYR A 283
 None
 1.19A 4mdaA-3zo9A:
0.8		 4mdaA-3zo9A:
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A 283
ASP A 507
ALA A 531
ASP A 287
 MG  A1770 ( 2.7A)
MG  A1768 (-2.5A)
None
2PN  A1773 (-3.9A)
 0.97A 4mdaA-4a01A:
undetectable		 4mdaA-4a01A:
14.90
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A 691
ASN A 692
ALA A 689
ASP A 727
 MG  A1771 ( 2.7A)
None
None
MG  A1769 ( 2.5A)
 0.95A 4mdaA-4a01A:
undetectable		 4mdaA-4a01A:
14.90
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A 691
ASN A 692
ALA A 693
ASP A 727
 MG  A1771 ( 2.7A)
None
None
MG  A1769 ( 2.5A)
 1.18A 4mdaA-4a01A:
undetectable		 4mdaA-4a01A:
14.90
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ASP A 688
ASP A 206
ALA A 204
ASP A 692
 MG  A1731 (-3.3A)
MG  A1729 (-3.5A)
None
MG  A1731 ( 2.4A)
 1.12A 4mdaA-4av6A:
undetectable		 4mdaA-4av6A:
16.37
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 ASP A 399
ALA A 129
TYR A 128
ASP A 401
 None
 1.05A 4mdaA-4b90A:
undetectable		 4mdaA-4b90A:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A

(Aspergillus
nidulans) 		PF07745
(Glyco_hydro_53) 		4 ASP A 187
ASP A 185
ASN A 182
ALA A 222
 ACT  A1340 (-3.1A)
ZN  A 412 ( 2.2A)
ACT  A1338 (-3.2A)
None
 1.19A 4mdaA-4bf7A:
undetectable		 4mdaA-4bf7A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 ASP A 406
ALA A 136
TYR A 135
ASP A 408
 None
 1.05A 4mdaA-4cnsA:
undetectable		 4mdaA-4cnsA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 ASP A 406
ALA A 136
TYR A 135
ASP A 408
 None
 0.98A 4mdaA-4cntA:
undetectable		 4mdaA-4cntA:
17.67
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.
4ebj AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF01909
(NTP_transf_2) 		4 ASP A  38
ASP A  40
ALA A  70
TYR A  53
 None
 1.04A 4mdaA-4ebjA:
undetectable		 4mdaA-4ebjA:
21.65
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 ASP A 156
ASN A 157
ALA A 171
TYR A  87
 None
 0.97A 4mdaA-4el8A:
undetectable		 4mdaA-4el8A:
16.34
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.
4f0b THIOL TRANSFERASE

(Phanerochaete
chrysosporium) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ASP A 198
ASN A 202
TYR A 159
ASP A 196
 None
 1.12A 4mdaA-4f0bA:
undetectable		 4mdaA-4f0bA:
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.
4fn5 ELONGATION FACTOR G
1

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 ASP A 672
ALA A 670
TYR A 683
ASP A 637
 None
 1.13A 4mdaA-4fn5A:
undetectable		 4mdaA-4fn5A:
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.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		4 ASP A 149
ASN A 148
ALA A 147
ASP A 126
 ZN  A 403 (-2.3A)
None
None
None
 1.10A 4mdaA-4fuuA:
undetectable		 4mdaA-4fuuA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		4 ASP A 182
ASP A 149
ASN A 148
ALA A 147
 ZN  A 403 (-2.1A)
ZN  A 403 (-2.3A)
None
None
 1.15A 4mdaA-4fuuA:
undetectable		 4mdaA-4fuuA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjf GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		4 ASP A 447
ASP A 469
ALA A 502
ASP A 446
 CA  A 602 (-3.3A)
CA  A 602 (-3.6A)
None
CA  A 602 (-2.7A)
 1.13A 4mdaA-4hjfA:
undetectable		 4mdaA-4hjfA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ja0 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bombyx mori) 		PF00731
(AIRC)
PF01259
(SAICAR_synt) 		4 ASP A 214
ASN A 250
ALA A 252
ASP A 212
 None
 0.83A 4mdaA-4ja0A:
undetectable		 4mdaA-4ja0A:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jgh CULLIN-5

(Homo sapiens) 		PF00888
(Cullin) 		4 ASN D 267
ALA D 268
TYR D 214
ASP D 208
 None
 1.19A 4mdaA-4jghD:
undetectable		 4mdaA-4jghD:
19.37
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.
4jlc SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Mus musculus) 		PF00069
(Pkinase) 		4 ASP A 569
ALA A 412
TYR A 563
ASP A 586
 None
 1.18A 4mdaA-4jlcA:
undetectable		 4mdaA-4jlcA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n3o PUTATIVE
D-GLYCERO-D-MANNO-HE
PTOSE 7-PHOSPHATE
KINASE

(Campylobacter
jejuni) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 ASP A 284
ASN A 285
ALA A 282
TYR A 279
 None
 1.15A 4mdaA-4n3oA:
undetectable		 4mdaA-4n3oA:
20.18
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.
4ql6 CARBOXY-TERMINAL
PROCESSING PROTEASE

(Chlamydia
trachomatis) 		PF00595
(PDZ)
PF03572
(Peptidase_S41) 		4 ASN A 398
ALA A 454
TYR A 479
ASP A 475
 None
 0.87A 4mdaA-4ql6A:
undetectable		 4mdaA-4ql6A:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		4 ASP A  36
ASN A  37
ALA A  52
ASP A  55
 None
 1.19A 4mdaA-4r2wA:
undetectable		 4mdaA-4r2wA:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u7b MARINER MOS1
TRANSPOSASE

(Drosophila
mauritiana) 		PF01359
(Transposase_1) 		4 ASP A 156
ALA A 275
TYR A 276
ASP A 284
 None
 0.36A 4mdaA-4u7bA:
31.7		 4mdaA-4u7bA:
99.56
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.
4uv6 APICAL MEROZOITE
ANTIGEN 1

(Plasmodium
knowlesi) 		PF02430
(AMA-1) 		4 ASP A 367
ASN A 366
ALA A 255
ASP A 348
 None
 1.17A 4mdaA-4uv6A:
undetectable		 4mdaA-4uv6A:
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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 4 ASP A 164
ASN A 161
ALA A 138
ASP A 132
 None
 1.09A 4mdaA-4xlyA:
undetectable		 4mdaA-4xlyA:
21.71
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.
4y1t PERFORIN-1

(Mus musculus) 		PF00168
(C2) 		4 ASP A 429
ASP A 485
ALA A 488
ASP A 435
 CA  A 601 (-2.2A)
CA  A 604 ( 2.3A)
None
CA  A 603 ( 2.3A)
 1.15A 4mdaA-4y1tA:
undetectable		 4mdaA-4y1tA:
17.70
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.
4zyl RPHYB PROTEIN

(Rhodopseudomonas
palustris) 		PF00072
(Response_reg) 		4 ASP A  19
ASP A  70
ALA A  98
TYR A 119
 None
 0.95A 4mdaA-4zylA:
undetectable		 4mdaA-4zylA:
20.18
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.
5anr PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX6

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ASN B 299
ALA B 138
TYR B 276
ASP B 249
 None
 1.18A 4mdaA-5anrB:
undetectable		 4mdaA-5anrB:
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.
5c2c FORM II RUBISCO

(Gallionella) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ASP A 117
ASN A 112
ALA A  46
TYR A   7
 None
 1.05A 4mdaA-5c2cA:
undetectable		 4mdaA-5c2cA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5coc IMMUNOGLOBULIN
G-BINDING PROTEIN
A,CALMODULIN

(Homo sapiens;
Staphylococcus
aureus) 		PF02216
(B)
PF13499
(EF-hand_7) 		4 ASP A1059
ASP A1057
ASN A1054
ASP A1065
 CA  A1101 (-2.9A)
CA  A1101 (-3.1A)
None
CA  A1101 ( 4.1A)
 1.16A 4mdaA-5cocA:
undetectable		 4mdaA-5cocA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5guj DNA PRIMASE

(Bacillus
subtilis) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13155
(Toprim_2) 		4 ASP A 345
ASP A 272
ALA A 286
ASP A 312
 None
 1.13A 4mdaA-5gujA:
undetectable		 4mdaA-5gujA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 4 ASP A 338
ASN A 261
ALA A 260
TYR A 270
 None
 1.20A 4mdaA-5h2tA:
undetectable		 4mdaA-5h2tA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijb TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF00560
(LRR_1)
PF11921
(DUF3439)
PF13855
(LRR_8) 		4 ASP A 377
ASN A 359
ALA A 382
ASP A 403
 None
 1.08A 4mdaA-5ijbA:
undetectable		 4mdaA-5ijbA:
16.41
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.
5jnm MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 4 ASN A 205
ALA A 209
TYR A 213
ASP A 276
 SO4  A 401 (-4.6A)
None
None
None
 1.17A 4mdaA-5jnmA:
undetectable		 4mdaA-5jnmA:
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.
5kj8 SYNAPTOTAGMIN-1

(Rattus
norvegicus) 		PF00168
(C2) 		4 ASP E 232
ASP E 172
ALA E 170
ASP E 238
 CA  E 503 (-2.6A)
CA  E 504 ( 2.7A)
None
None
 1.21A 4mdaA-5kj8E:
undetectable		 4mdaA-5kj8E:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		4 ASP A  38
ASN A  39
ALA A  54
ASP A  57
 None
 1.20A 4mdaA-5lhvA:
undetectable		 4mdaA-5lhvA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		4 ASP A 591
ASP A 613
ALA A 646
ASP A 590
 MG  A 703 ( 3.3A)
None
None
MG  A 702 (-2.6A)
 1.20A 4mdaA-5m1tA:
undetectable		 4mdaA-5m1tA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mw5 PROTEIN JAGGED-2

(Homo sapiens) 		PF01414
(DSL)
PF07657
(MNNL) 		4 ASP A  51
ASP A 152
ASN A 158
ASP A  68
 CA  A 403 (-2.1A)
CA  A 404 ( 2.0A)
None
CA  A 402 ( 2.4A)
 1.20A 4mdaA-5mw5A:
undetectable		 4mdaA-5mw5A:
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 4 ASP A 103
ASN A 173
ALA A 177
ASP A 105
 None
 1.00A 4mdaA-5nhbA:
undetectable		 4mdaA-5nhbA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tpk PROTOCADHERIN-15

(Mus musculus) 		no annotation 4 ASP A 826
ASP A 824
ALA A 877
ASP A 792
 CA  A1002 ( 3.2A)
CA  A1003 (-2.2A)
None
CA  A1003 (-2.9A)
 1.14A 4mdaA-5tpkA:
undetectable		 4mdaA-5tpkA:
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.
5us1 AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Providencia
stuartii) 		PF13673
(Acetyltransf_10) 		4 ASP A  69
ASN A  70
ALA A  67
ASP A 163
 None
 1.11A 4mdaA-5us1A:
undetectable		 4mdaA-5us1A:
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ASP A 171
ASP A 168
ALA A 230
ASP A 155
 None
 1.21A 4mdaA-5vm1A:
1.6		 4mdaA-5vm1A:
19.68
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.
5xom GLYCOSAMINOGLYCAN
XYLOSYLKINASE

(Hydra vulgaris) 		no annotation 4 ASP A 318
ALA A 298
TYR A 148
ASP A 152
 None
 1.08A 4mdaA-5xomA:
undetectable		 4mdaA-5xomA:
16.82
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.
5xsd SIGNAL TRANSDUCTION
HISTIDINE KINASE,
LYTS

(Clostridium
beijerinckii) 		no annotation 4 ASP L 108
ASN L 102
ALA L 100
ASP L  16
 None
 1.13A 4mdaA-5xsdL:
undetectable		 4mdaA-5xsdL:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxu RIBOSOMAL PROTEIN
ES4

(Toxoplasma
gondii) 		PF00467
(KOW)
PF00900
(Ribosomal_S4e)
PF01479
(S4)
PF08071
(RS4NT)
PF16121
(40S_S4_C) 		4 ASP E  88
ASP E  73
ASN E  74
ASP E 143
 None
 0.93A 4mdaA-5xxuE:
undetectable		 4mdaA-5xxuE:
21.56
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.
5yrp SENSORY BOX/RESPONSE
REGULATOR

(Mycolicibacterium
smegmatis) 		no annotation 4 ASP A 507
ASP A 529
ALA A 562
ASP A 506
 None
None
None
MG  A 701 (-2.2A)
 1.16A 4mdaA-5yrpA:
undetectable		 4mdaA-5yrpA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c14 -

(-) 		no annotation 4 ASP A1231
ALA A1185
TYR A1205
ASP A1175
 None
 1.18A 4mdaA-6c14A:
undetectable		 4mdaA-6c14A:
undetectable