SIMILAR PATTERNS OF AMINO ACIDS FOR 4MDB_A_RLTA401_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.
1a25 PROTEIN KINASE C
(BETA)

(Rattus
norvegicus) 		PF00168
(C2) 		4 ASP A 248
ASP A 187
ASN A 189
ASP A 254
 CA  A 291 ( 2.3A)
CA  A 290 (-2.2A)
None
CA  A 292 (-2.8A)
 1.20A 4mdbA-1a25A:
0.0		 4mdbA-1a25A:
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.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		4 ASP A 221
ALA A 219
TYR A 216
ASP A 223
 None
 1.21A 4mdbA-1bl5A:
undetectable		 4mdbA-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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ASP A 183
ASP A 159
ALA A 161
ASP A 194
 NA  A 505 ( 3.0A)
CA  A 502 ( 2.2A)
None
NA  A 505 ( 2.3A)
 1.20A 4mdbA-1e43A:
0.9		 4mdbA-1e43A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gns SUBTILISIN BPN'

(Bacillus
amyloliquefaciens) 		PF00082
(Peptidase_S8) 		4 ASP A  60
ASN A  61
ALA A  98
ASP A  32
 None
 1.08A 4mdbA-1gnsA:
1.4		 4mdbA-1gnsA:
19.20
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.
1hup MANNOSE-BINDING
PROTEIN

(Homo sapiens) 		PF00059
(Lectin_C) 		4 ASP A 168
ASN A 194
ALA A 196
ASP A 201
 CA  A 301 (-2.3A)
SO4  A 304 ( 3.0A)
SO4  A 304 ( 4.0A)
CA  A 303 ( 2.3A)
 1.06A 4mdbA-1hupA:
undetectable		 4mdbA-1hupA:
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
 1.21A 4mdbA-1irxA:
0.4		 4mdbA-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.
1l6r HYPOTHETICAL PROTEIN
TA0175

(Thermoplasma
acidophilum) 		PF08282
(Hydrolase_3) 		4 ASP A   8
ASP A 174
ASN A 193
ASP A  10
 CA  A 901 (-3.1A)
CA  A 901 ( 3.2A)
CA  A 902 ( 4.3A)
CA  A 901 ( 4.7A)
 1.22A 4mdbA-1l6rA:
0.0		 4mdbA-1l6rA:
19.85
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		4 ASP A 359
ASN A 356
ALA A 395
TYR A 396
 None
 1.15A 4mdbA-1on9A:
0.6		 4mdbA-1on9A:
18.22
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.
1vmj HYPOTHETICAL PROTEIN
TM0723

(Thermotoga
maritima) 		PF01894
(UPF0047) 		4 ASP A  87
ASN A  88
ALA A  89
TYR A  79
 None
NA  A 140 (-2.6A)
None
None
 1.01A 4mdbA-1vmjA:
undetectable		 4mdbA-1vmjA:
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.
1vzm OSTEOCALCIN

(Argyrosomus
regius) 		no annotation 4 ASP A  24
ASN A  20
ALA A  22
ASP A  28
 None
 1.20A 4mdbA-1vzmA:
undetectable		 4mdbA-1vzmA:
10.62
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASP A  49
ASN A 400
ALA A 399
TYR A 396
 None
 1.09A 4mdbA-1xc6A:
1.7		 4mdbA-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)
 1.11A 4mdbA-1y8aA:
undetectable		 4mdbA-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.
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
 0.79A 4mdbA-2a2dA:
undetectable		 4mdbA-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.
2cm6 RABPHILIN-3A

(Rattus
norvegicus) 		PF00168
(C2) 		4 ASP A 633
ASP A 571
ASN A 573
ASP A 639
 CA  A1680 ( 2.1A)
CA  A1679 ( 2.2A)
None
CA  A1680 (-3.1A)
 1.15A 4mdbA-2cm6A:
undetectable		 4mdbA-2cm6A:
23.95
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ASN A 418
ALA A 419
TYR A 423
ASP A 699
 MGD  A 801 (-4.9A)
None
None
MGD  A 801 (-3.0A)
 0.99A 4mdbA-2e7zA:
undetectable		 4mdbA-2e7zA:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.18A 4mdbA-2fcwB:
undetectable		 4mdbA-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
 1.10A 4mdbA-2gx8A:
undetectable		 4mdbA-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.
2i1p LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 2

(Rattus
norvegicus) 		PF00057
(Ldl_recept_a) 		4 ASP A1213
ASP A1219
ALA A1221
ASP A1209
 CA  A1230 (-3.7A)
CA  A1230 (-3.5A)
None
CA  A1230 (-2.8A)
 1.19A 4mdbA-2i1pA:
undetectable		 4mdbA-2i1pA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ik8 GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(I),
ALPHA-1 SUBUNIT

(Homo sapiens) 		PF00503
(G-alpha) 		4 ASP A 158
ASN A 157
ALA A 153
ASP A 173
 None
 0.97A 4mdbA-2ik8A:
undetectable		 4mdbA-2ik8A:
23.65
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.
2pgs PUTATIVE
DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Pseudomonas
savastanoi) 		PF01966
(HD) 		4 ASP A 110
ALA A 108
TYR A 183
ASP A 243
 None
 1.17A 4mdbA-2pgsA:
undetectable		 4mdbA-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.
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)
 1.16A 4mdbA-2qtyA:
undetectable		 4mdbA-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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 ASP A 362
ASN A 326
ALA A 364
TYR A 355
 None
 1.03A 4mdbA-2xr1A:
undetectable		 4mdbA-2xr1A:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		4 ASP A 862
ASP A 916
ASN A 921
ASP A 864
 CA  A1936 (-2.2A)
CA  A1936 (-3.1A)
None
CA  A1936 (-3.4A)
 1.07A 4mdbA-2yhgA:
undetectable		 4mdbA-2yhgA:
19.50
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.
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
 1.21A 4mdbA-2yn9A:
undetectable		 4mdbA-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)
 1.21A 4mdbA-2z2zA:
undetectable		 4mdbA-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)
 1.17A 4mdbA-3auoA:
undetectable		 4mdbA-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.
3bwk CYSTEINE PROTEASE
FALCIPAIN-3

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		4 ASP A 163
ASN A 182
ALA A 160
ASP A 164
 None
C1P  A 300 (-3.6A)
None
None
 1.11A 4mdbA-3bwkA:
undetectable		 4mdbA-3bwkA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.06A 4mdbA-3cr3A:
undetectable		 4mdbA-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.
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
 1.20A 4mdbA-3ek2A:
undetectable		 4mdbA-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.
3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE

(Haemophilus
influenzae) 		PF03767
(Acid_phosphat_B) 		4 ASP A  64
ALA A 160
TYR A 191
ASP A 185
 MG  A 255 ( 2.5A)
None
None
MG  A 255 ( 4.2A)
 1.20A 4mdbA-3et5A:
undetectable		 4mdbA-3et5A:
20.22
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.
3heo MYOGLOBIN

(Equus caballus) 		PF00042
(Globin) 		4 ASP A 141
ASN A 140
ALA A 143
TYR A 146
 None
 1.17A 4mdbA-3heoA:
undetectable		 4mdbA-3heoA:
20.67
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.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		4 ASP A 182
ASN A 186
TYR A  51
ASP A 147
 None
 1.22A 4mdbA-3hsiA:
undetectable		 4mdbA-3hsiA:
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.
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 4mdbA-3j0aA:
undetectable		 4mdbA-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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		4 ASP A 246
ASN A 230
ALA A 233
ASP A 194
 None
 1.20A 4mdbA-3k55A:
undetectable		 4mdbA-3k55A:
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.
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)
 1.02A 4mdbA-3ke6A:
undetectable		 4mdbA-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
 1.02A 4mdbA-3kumA:
undetectable		 4mdbA-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.
3nyy PUTATIVE
GLYCYL-GLYCINE
ENDOPEPTIDASE LYTM

([Ruminococcus]
gnavus) 		PF01551
(Peptidase_M23) 		4 ASN A 162
ALA A 159
TYR A 167
ASP A 206
 2PE  A 282 ( 3.9A)
None
None
None
 1.19A 4mdbA-3nyyA:
undetectable		 4mdbA-3nyyA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nze PUTATIVE
TRANSCRIPTIONAL
REGULATOR,
SUGAR-BINDING FAMILY

(Paenarthrobacter
aurescens) 		PF04198
(Sugar-bind) 		4 ASP A 228
ASN A 145
ALA A 176
ASP A 231
 None
 1.14A 4mdbA-3nzeA:
undetectable		 4mdbA-3nzeA:
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.
3o8q SHIKIMATE
5-DEHYDROGENASE I
ALPHA

(Vibrio cholerae) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 ASP B 240
ASN B 227
ALA B 238
ASP B 113
 None
 1.21A 4mdbA-3o8qB:
undetectable		 4mdbA-3o8qB:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3okx YAEB-LIKE PROTEIN
RPA0152

(Rhodopseudomonas
palustris) 		PF01980
(UPF0066) 		4 ASP A  68
ASN A 125
ALA A 124
ASP A  67
 None
 1.17A 4mdbA-3okxA:
undetectable		 4mdbA-3okxA:
22.94
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.
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
 1.13A 4mdbA-3pddA:
undetectable		 4mdbA-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
 1.15A 4mdbA-3rpbA:
undetectable		 4mdbA-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.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASN X  65
ALA X  64
TYR X  39
ASP X  92
 None
 1.21A 4mdbA-3rwkX:
undetectable		 4mdbA-3rwkX:
17.27
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.
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)
 0.97A 4mdbA-3smvA:
undetectable		 4mdbA-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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		4 ASP A 147
ASP A 180
ALA A 178
ASP A 220
 ZN  A 350 ( 2.3A)
ZN  A 350 (-1.9A)
None
EDO  A 401 (-4.0A)
 1.20A 4mdbA-3tc8A:
undetectable		 4mdbA-3tc8A:
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		4 ASP A 518
ASN A 587
TYR A 413
ASP A 515
 None
None
EDO  A1102 (-3.5A)
None
 1.10A 4mdbA-3thcA:
undetectable		 4mdbA-3thcA:
15.43
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.
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
 1.18A 4mdbA-3umcA:
undetectable		 4mdbA-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.
3vay HAD-SUPERFAMILY
HYDROLASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		4 ASP A   8
ASP A 185
ALA A 187
ASP A 180
 MG  A 301 (-2.4A)
MG  A 301 ( 4.7A)
None
MG  A 301 (-2.8A)
 1.16A 4mdbA-3vayA:
undetectable		 4mdbA-3vayA:
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.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		4 ASP A  27
ASN A  16
ALA A  24
ASP A 303
 CA  A 402 (-2.3A)
None
None
None
 1.09A 4mdbA-3vv3A:
undetectable		 4mdbA-3vv3A:
18.84
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.
3wcx SPHINGOMYELINASE C

(Streptomyces
griseocarneus) 		PF03372
(Exo_endo_phos) 		4 ASP A 288
ASN A 272
ALA A 275
ASP A 235
 None
None
None
SIN  A 402 (-2.7A)
 1.16A 4mdbA-3wcxA:
undetectable		 4mdbA-3wcxA:
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.
3wg1 GALACTOSIDE-BINDING
LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		4 ASP A  18
ASN A  56
ALA A  58
TYR A  59
 None
 1.12A 4mdbA-3wg1A:
undetectable		 4mdbA-3wg1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wzs UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		4 ASP A 711
ASP A 708
ASN A 738
ALA A 799
 None
 0.88A 4mdbA-3wzsA:
undetectable		 4mdbA-3wzsA:
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.
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)
 0.93A 4mdbA-4a01A:
undetectable		 4mdbA-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)
 1.17A 4mdbA-4av6A:
undetectable		 4mdbA-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 4mdbA-4b90A:
undetectable		 4mdbA-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.
4c0r PUTATIVE AMINO ACID
BINDING PROTEIN

(Streptococcus
mutans) 		PF00497
(SBP_bac_3) 		4 ASP A  59
ASN A  78
ALA A  77
TYR A  82
 None
 1.21A 4mdbA-4c0rA:
undetectable		 4mdbA-4c0rA:
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 ASN A 192
ALA A 193
TYR A 116
ASP A 540
 None
 1.01A 4mdbA-4c2tA:
undetectable		 4mdbA-4c2tA:
14.91
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 ASP A 406
ALA A 136
TYR A 135
ASP A 408
 None
 1.02A 4mdbA-4cnsA:
undetectable		 4mdbA-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
 0.95A 4mdbA-4cntA:
undetectable		 4mdbA-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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		4 ASP A 270
ASN A  62
ALA A  61
ASP A 184
 M7B  A 502 (-3.1A)
None
None
MG  A 506 ( 3.6A)
 1.19A 4mdbA-4e84A:
undetectable		 4mdbA-4e84A:
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.
4ebj AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF01909
(NTP_transf_2) 		4 ASP A  38
ASP A  40
ALA A  70
TYR A  53
 None
 1.03A 4mdbA-4ebjA:
undetectable		 4mdbA-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.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		4 ASP A 122
ASN A 277
ALA A 130
TYR A 119
 None
 0.90A 4mdbA-4ecnA:
undetectable		 4mdbA-4ecnA:
13.26
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.
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
 1.12A 4mdbA-4fn5A:
undetectable		 4mdbA-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
ASP A 182
ALA A 180
ASP A 223
 ZN  A 403 (-2.3A)
ZN  A 403 (-2.1A)
None
UNL  A 401 ( 2.9A)
 1.20A 4mdbA-4fuuA:
undetectable		 4mdbA-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
 1.21A 4mdbA-4fuuA:
undetectable		 4mdbA-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)
 1.14A 4mdbA-4hjfA:
undetectable		 4mdbA-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.
4i45 ORF6 THIOESTERASE

(Photobacterium
profundum) 		PF03061
(4HBT) 		4 ASP A  50
ASN A  49
ALA A  45
ASP A 125
 None
None
None
MG  A 201 (-2.5A)
 1.11A 4mdbA-4i45A:
undetectable		 4mdbA-4i45A:
19.31
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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 ASP A 211
ASN A 212
ALA A 245
ASP A 124
 None
 1.21A 4mdbA-4iuwA:
undetectable		 4mdbA-4iuwA:
16.88
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.
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
 1.16A 4mdbA-4jlcA:
undetectable		 4mdbA-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.
4m18 PULMONARY
SURFACTANT-ASSOCIATE
D PROTEIN D

(Homo sapiens) 		PF00059
(Lectin_C)
PF09006
(Surfac_D-trimer) 		4 ASP A 297
ASN A 323
ALA A 325
ASP A 330
 CA  A 402 (-2.2A)
MAN  A 406 ( 2.6A)
MAN  A 405 ( 3.7A)
CA  A 403 ( 2.2A)
 1.06A 4mdbA-4m18A:
undetectable		 4mdbA-4m18A:
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.
4mc0 PUTATIVE
SESQUITERPENE
CYCLASE

(Kitasatospora
setae) 		no annotation 4 ASP A 188
ASN A  18
ALA A  57
TYR A  58
 None
 1.17A 4mdbA-4mc0A:
undetectable		 4mdbA-4mc0A:
19.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mda MARINER MOS1
TRANSPOSASE

(Drosophila
mauritiana) 		PF01359
(Transposase_1) 		5 ASP A 156
ASP A 249
ASN A 250
ALA A 274
ASP A 284
 MN  A 401 (-2.6A)
MN  A 401 ( 2.7A)
RLT  A 403 (-3.4A)
None
MN  A 402 ( 2.0A)
 1.39A 4mdbA-4mdaA:
35.2		 4mdbA-4mdaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mda MARINER MOS1
TRANSPOSASE

(Drosophila
mauritiana) 		PF01359
(Transposase_1) 		6 ASP A 156
ASP A 249
ASN A 250
ALA A 275
TYR A 276
ASP A 284
 MN  A 401 (-2.6A)
MN  A 401 ( 2.7A)
RLT  A 403 (-3.4A)
RLT  A 403 (-2.9A)
RLT  A 403 (-3.6A)
MN  A 402 ( 2.0A)
 0.57A 4mdbA-4mdaA:
35.2		 4mdbA-4mdaA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n9f CULLIN-5

(Homo sapiens) 		no annotation 4 ASP U 200
ASN U 201
TYR U 198
ASP U 193
 None
 1.21A 4mdbA-4n9fU:
undetectable		 4mdbA-4n9fU:
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		4 ASP A  62
ASN A  29
ALA A  31
TYR A  53
 None
 0.99A 4mdbA-4oc9A:
undetectable		 4mdbA-4oc9A:
20.05
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.
4p3m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Psychromonas
ingrahamii) 		PF00464
(SHMT) 		4 ASP A 293
ASN A 294
ALA A 370
TYR A 287
 None
 1.10A 4mdbA-4p3mA:
undetectable		 4mdbA-4p3mA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r4g PUTATIVE LIPOPROTEIN
YCDA

(Bacillus
subtilis) 		PF11611
(DUF4352)
PF17118
(DUF5105) 		4 ASP A 234
ASN A 235
ALA A 232
ASP A 229
 None
 1.19A 4mdbA-4r4gA:
undetectable		 4mdbA-4r4gA:
21.15
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) 		5 ASP A 156
ASN A 250
ALA A 275
TYR A 276
ASP A 284
 None
 0.38A 4mdbA-4u7bA:
31.4		 4mdbA-4u7bA:
99.56
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 284
ASN A 250
ALA A 275
TYR A 276
 None
 0.92A 4mdbA-4u7bA:
31.4		 4mdbA-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.
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)
 1.11A 4mdbA-4y1tA:
undetectable		 4mdbA-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.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 ASP A 171
ASN A 230
ALA A 228
TYR A 227
 None
GOL  A 401 (-3.9A)
None
None
 1.20A 4mdbA-4yv7A:
undetectable		 4mdbA-4yv7A:
20.24
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.
4zyl RPHYB PROTEIN

(Rhodopseudomonas
palustris) 		PF00072
(Response_reg) 		4 ASP A  19
ASP A  70
ALA A  98
TYR A 119
 None
 0.95A 4mdbA-4zylA:
undetectable		 4mdbA-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.
5bxx L-ECTOINE SYNTHASE

(Sphingopyxis
alaskensis) 		PF06339
(Ectoine_synth) 		4 ASP A  89
ASP A  88
ALA A  58
ASP A  91
 None
 1.22A 4mdbA-5bxxA:
undetectable		 4mdbA-5bxxA:
25.24
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 ASP A 556
ASN A 558
ALA A 618
ASP A 633
 TRS  A1001 (-3.2A)
None
None
TRS  A1001 (-2.8A)
 1.19A 4mdbA-5dkxA:
undetectable		 4mdbA-5dkxA:
12.30
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.
5fql IDURONATE-2-SULFATAS
E

(Homo sapiens) 		PF00884
(Sulfatase) 		4 ASP A  45
ASP A  46
ALA A 346
ASP A 334
 CA  A1551 (-3.0A)
CA  A1551 (-3.0A)
None
CA  A1551 (-2.6A)
 1.21A 4mdbA-5fqlA:
undetectable		 4mdbA-5fqlA:
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.
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
 1.11A 4mdbA-5gujA:
undetectable		 4mdbA-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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ASP A 564
ASN A 566
ALA A 625
ASP A 640
 5GF  A1021 (-2.1A)
None
None
5GF  A1021 (-2.6A)
 1.20A 4mdbA-5hjrA:
undetectable		 4mdbA-5hjrA:
12.72
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.
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)
 1.21A 4mdbA-5m1tA:
undetectable		 4mdbA-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.
5m2o GROUP I DOCKERIN

(Ruminococcus
flavefaciens) 		no annotation 4 ASP B  30
ASN B  64
ALA B  65
ASP B  38
 CA  B 201 (-3.2A)
None
None
None
 1.10A 4mdbA-5m2oB:
undetectable		 4mdbA-5m2oB:
18.89
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 4 ASP A 520
ASN A 443
TYR A 503
ASP A 517
 None
 1.19A 4mdbA-5m6gA:
undetectable		 4mdbA-5m6gA:
16.14
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.
5mch CELLOBIOHYDROLASE
CHBI

(Daphnia pulex) 		PF00840
(Glyco_hydro_7) 		4 ASP A 258
ASN A 257
ALA A 235
ASP A 174
 None
 1.19A 4mdbA-5mchA:
undetectable		 4mdbA-5mchA:
17.00
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 ASP A 765
ASN A  54
ALA A  55
TYR A  69
 None
 1.18A 4mdbA-5o0sA:
undetectable		 4mdbA-5o0sA:
14.25
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.
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)
 1.11A 4mdbA-5tpkA:
undetectable		 4mdbA-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.
5txv ATP-DEPENDENT
PROTEASE ATPASE
SUBUNIT HSLU

(Escherichia
coli) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 ASP A  21
ASN A  22
ALA A  23
ASP A  14
 None
 1.15A 4mdbA-5txvA:
undetectable		 4mdbA-5txvA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Human
immunodeficiency
virus 1;
Sulfolobus
solfataricus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  64
ASP A 116
ASN A 117
TYR A 143
 MG  A 501 (-1.8A)
MG  A 501 (-2.8A)
None
None
 0.40A 4mdbA-5u1cA:
11.3		 4mdbA-5u1cA:
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.
5wkh T-CELL RECEPTOR
ALPHA VARIABLE
30,T-CELL RECEPTOR,
SP3.4 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 ASP D 161
ASN D 197
ALA D 194
ASP D 163
 None
 1.19A 4mdbA-5wkhD:
undetectable		 4mdbA-5wkhD:
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.
5xom GLYCOSAMINOGLYCAN
XYLOSYLKINASE

(Hydra vulgaris) 		no annotation 4 ASP A 318
ALA A 298
TYR A 148
ASP A 152
 None
 1.09A 4mdbA-5xomA:
undetectable		 4mdbA-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.
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
 1.20A 4mdbA-5xxuE:
undetectable		 4mdbA-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)
 1.19A 4mdbA-5yrpA:
undetectable		 4mdbA-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.
6bzh PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Mus musculus) 		no annotation 4 ASP A  21
ASN A  46
ALA A  43
TYR A  40
 None
 1.22A 4mdbA-6bzhA:
undetectable		 4mdbA-6bzhA:
17.09