SIMILAR PATTERNS OF AMINO ACIDS FOR 3HEC_A_STIA1_2

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.
1by8 PROTEIN
(PROCATHEPSIN K)

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LEU A  58
MET A  66
ILE A 279
ASP A 235
 None
 1.49A 3hecA-1by8A:
undetectable		 3hecA-1by8A:
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.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		4 LEU A 320
MET A 223
ILE A  34
ASP A 178
 None
 1.24A 3hecA-1ljyA:
0.0		 3hecA-1ljyA:
19.95
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.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		4 LEU A 345
MET A 317
ILE A 562
ASP A 593
 None
 1.35A 3hecA-1uf2A:
0.4		 3hecA-1uf2A:
15.88
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.
1vgp 373AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		4 LEU A  68
MET A 170
ILE A 203
ASP A 179
 None
 1.13A 3hecA-1vgpA:
0.0		 3hecA-1vgpA:
23.39
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 LEU A  10
MET A 146
ILE A  89
ASP A 189
 None
 1.49A 3hecA-2fpgA:
0.0		 3hecA-2fpgA:
23.29
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.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		4 LEU A 115
MET A 227
ILE A 260
ASP A 236
 None
 1.10A 3hecA-2h12A:
1.3		 3hecA-2h12A:
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.
2h84 STEELY1

(Dictyostelium
discoideum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A2934
MET A3003
ILE A3087
ASP A3047
 None
 1.50A 3hecA-2h84A:
undetectable		 3hecA-2h84A:
24.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hcu 3-ISOPROPYLMALATE
DEHYDRATASE SMALL
SUBUNIT

(Streptococcus
mutans) 		PF00694
(Aconitase_C) 		4 LEU A  91
MET A   1
ILE A 121
ASP A 106
 None
 1.34A 3hecA-2hcuA:
undetectable		 3hecA-2hcuA:
21.86
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.
2hi1 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 2

(Salmonella
enterica) 		PF04166
(PdxA) 		4 LEU A 228
MET A 262
ILE A 170
ASP A 269
 None
 1.11A 3hecA-2hi1A:
undetectable		 3hecA-2hi1A:
23.49
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.
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae) 		PF02146
(SIR2)
PF04574
(DUF592) 		4 LEU A 360
MET A 334
ILE A 321
ASP A 514
 None
 1.26A 3hecA-2hjhA:
undetectable		 3hecA-2hjhA:
22.14
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 LEU A 274
MET A 192
ILE A 328
ASP A 239
 None
 1.49A 3hecA-2pbgA:
undetectable		 3hecA-2pbgA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 LEU A 154
MET A  57
ILE A 198
ASP A  88
 None
 1.44A 3hecA-2pmiA:
23.4		 3hecA-2pmiA:
32.69
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.
2qu7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
saprophyticus) 		PF13407
(Peripla_BP_4) 		4 LEU A 111
MET A 134
ILE A  85
ASP A 147
 None
 0.97A 3hecA-2qu7A:
undetectable		 3hecA-2qu7A:
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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
SULFITE REDUCTASE
BETA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF12838
(Fer4_7) 		4 LEU A 121
MET A 132
ILE B  21
ASP B  28
 None
 1.46A 3hecA-2xsjA:
1.5		 3hecA-2xsjA:
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.
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 253
MET A 201
ILE A 187
ASP A 181
 None
 1.47A 3hecA-2z63A:
undetectable		 3hecA-2z63A:
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.
2z65 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 LEU A 249
MET A 201
ILE A 187
ASP A 181
 None
 1.48A 3hecA-2z65A:
undetectable		 3hecA-2z65A:
23.92
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.
3a5i FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Salmonella
enterica) 		PF00771
(FHIPEP) 		4 LEU A 413
MET A 374
ILE A 427
ASP A 361
 None
 1.41A 3hecA-3a5iA:
undetectable		 3hecA-3a5iA:
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.
3aq1 THERMOSOME SUBUNIT

(Methanococcoides
burtonii) 		PF00118
(Cpn60_TCP1) 		4 LEU B 407
MET B 452
ILE B 484
ASP B 477
 None
 1.43A 3hecA-3aq1B:
undetectable		 3hecA-3aq1B:
21.75
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.
3cps GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 LEU A 342
MET A  37
ILE A  99
ASP A  49
 None
None
None
NAD  A 401 (-2.9A)
 1.40A 3hecA-3cpsA:
undetectable		 3hecA-3cpsA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 LEU A  13
MET A  86
ILE A 124
ASP A  47
 None
 1.30A 3hecA-3ctzA:
undetectable		 3hecA-3ctzA:
20.32
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.
3cym UNCHARACTERIZED
PROTEIN BAD_0989

(Bifidobacterium
adolescentis) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 LEU A 143
MET A 181
ILE A  67
ASP A  63
 None
 0.93A 3hecA-3cymA:
undetectable		 3hecA-3cymA:
22.46
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.
3dtt NADP OXIDOREDUCTASE

(Arthrobacter
sp. FB24) 		PF03807
(F420_oxidored) 		4 LEU A  74
MET A 151
ILE A 195
ASP A 191
 None
 1.18A 3hecA-3dttA:
undetectable		 3hecA-3dttA:
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 LEU A 393
MET A 346
ILE A 430
ASP A 370
 None
None
None
PRO  A   1 ( 3.8A)
 1.14A 3hecA-3e2sA:
undetectable		 3hecA-3e2sA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g3s GCN5-RELATED
N-ACETYLTRANSFERASE

(Streptococcus
suis) 		PF12746
(GNAT_acetyltran) 		4 LEU A  24
MET A   1
ILE A  66
ASP A  34
 EDO  A 251 (-3.9A)
None
None
None
 1.43A 3hecA-3g3sA:
undetectable		 3hecA-3g3sA:
21.99
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.
3i6s SUBTILISIN-LIKE
PROTEASE

(Solanum
lycopersicum) 		PF00082
(Peptidase_S8) 		4 LEU A 292
MET A 305
ILE A 658
ASP A 651
 None
 1.41A 3hecA-3i6sA:
undetectable		 3hecA-3i6sA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		4 LEU A 574
MET A 693
ILE A 629
ASP A 236
 None
 1.49A 3hecA-3kflA:
undetectable		 3hecA-3kflA:
21.34
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.
3l0o TRANSCRIPTION
TERMINATION FACTOR
RHO

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF07497
(Rho_RNA_bind)
PF07498
(Rho_N) 		4 LEU A  46
MET A 120
ILE A 230
ASP A  77
 None
None
None
IUM  A 428 (-2.6A)
 1.31A 3hecA-3l0oA:
undetectable		 3hecA-3l0oA:
23.11
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 LEU A 261
MET A 266
ILE A 307
ASP A 311
 None
 1.09A 3hecA-3nyoA:
22.6		 3hecA-3nyoA:
24.12
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.
3o8q SHIKIMATE
5-DEHYDROGENASE I
ALPHA

(Vibrio cholerae) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 LEU B 139
MET B 244
ILE B 207
ASP B 186
 None
 1.41A 3hecA-3o8qB:
undetectable		 3hecA-3o8qB:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3omb EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		4 LEU A 215
MET A 210
ILE A 234
ASP A 342
 None
 1.12A 3hecA-3ombA:
undetectable		 3hecA-3ombA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  42
MET A  75
ILE A 300
ASP A 104
 None
 1.04A 3hecA-3ritA:
undetectable		 3hecA-3ritA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sth GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Toxoplasma
gondii) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 LEU A 327
MET A  22
ILE A  84
ASP A  34
 None
None
None
NAD  A 380 (-2.7A)
 1.46A 3hecA-3sthA:
undetectable		 3hecA-3sthA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u6n HIGH-CONDUCTANCE
CA2+-ACTIVATED K+
CHANNEL PROTEIN

(Danio rerio) 		PF02254
(TrkA_N)
PF03493
(BK_channel_a) 		4 LEU A 507
MET A 513
ILE A 583
ASP A 482
 None
 1.35A 3hecA-3u6nA:
undetectable		 3hecA-3u6nA:
19.60
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.
3ubd RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		4 LEU A 200
MET A 261
ILE A 189
ASP A 193
 SL0  A 400 (-4.7A)
None
None
None
 1.16A 3hecA-3ubdA:
4.2		 3hecA-3ubdA:
28.49
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.
3vs8 TYPE III POLYKETIDE
SYNTHASE

(Azotobacter
vinelandii) 		PF02797
(Chal_sti_synt_C) 		4 LEU A 404
MET A 199
ILE A 247
ASP A  14
 None
 1.42A 3hecA-3vs8A:
undetectable		 3hecA-3vs8A:
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.
3zh2 L-LACTATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 LEU A 315
MET A 106
ILE A 306
ASP A 272
 None
 1.35A 3hecA-3zh2A:
undetectable		 3hecA-3zh2A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhi GAMMA-BUTYROBETAINE
DIOXYGENASE

(Homo sapiens) 		PF02668
(TauD)
PF06155
(DUF971) 		4 LEU A 165
MET A 373
ILE A 231
ASP A 204
 None
None
None
ZN  A 402 (-2.6A)
 1.46A 3hecA-4bhiA:
undetectable		 3hecA-4bhiA:
22.27
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.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 LEU A  40
MET A  23
ILE A 115
ASP A  88
 None
 1.45A 3hecA-4dvjA:
undetectable		 3hecA-4dvjA:
18.91
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.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 LEU A  30
MET A 152
ILE A 210
ASP A 189
 None
NAG  A 504 ( 3.8A)
None
ZN  A 506 ( 2.1A)
 1.28A 3hecA-4lr2A:
undetectable		 3hecA-4lr2A:
21.63
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.
4m46 LUCIFERASE

(Lampyris
turkestanicus) 		PF00501
(AMP-binding) 		4 LEU A  86
MET A  30
ILE A 282
ASP A 234
 None
 1.47A 3hecA-4m46A:
undetectable		 3hecA-4m46A:
18.81
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.
4ngu TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
alaskensis) 		PF03480
(DctP) 		4 LEU A 150
MET A  90
ILE A 326
ASP A 183
 None
 1.44A 3hecA-4nguA:
undetectable		 3hecA-4nguA:
21.77
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.
4pir VHH15

(Lama glama) 		PF07686
(V-set) 		4 LEU F  47
MET F  87
ILE F  31
ASP F  60
 None
 1.37A 3hecA-4pirF:
undetectable		 3hecA-4pirF:
17.39
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.
4q4a UNCHARACTERIZED ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0288

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 LEU B 558
MET B 538
ILE B 412
ASP B 415
 None
 1.46A 3hecA-4q4aB:
undetectable		 3hecA-4q4aB:
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.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A2898
MET A2908
ILE A2725
ASP A2794
 None
 1.21A 3hecA-4qyrA:
undetectable		 3hecA-4qyrA:
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.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		4 LEU A  50
MET A 174
ILE A 443
ASP A  39
 None
 1.08A 3hecA-4tr2A:
undetectable		 3hecA-4tr2A:
18.65
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 LEU A   5
MET A 434
ILE A 471
ASP A 459
 None
 1.06A 3hecA-4wn9A:
undetectable		 3hecA-4wn9A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		4 LEU A 101
MET A 107
ILE A 349
ASP A 287
 None
None
None
CA  A 401 (-3.0A)
 1.47A 3hecA-4wr2A:
undetectable		 3hecA-4wr2A:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv0 ESSC

(Geobacillus
thermodenitrificans) 		PF01580
(FtsK_SpoIIIE) 		4 LEU A1027
MET A1067
ILE A 999
ASP A1033
 None
 1.38A 3hecA-5fv0A:
undetectable		 3hecA-5fv0A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 4 LEU A 345
MET A 224
ILE A 234
ASP A 230
 None
 1.26A 3hecA-5gqfA:
undetectable		 3hecA-5gqfA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata) 		no annotation 4 LEU A 221
MET A 254
ILE A  94
ASP A 138
 None
 1.42A 3hecA-5nnbA:
undetectable		 3hecA-5nnbA:
11.08
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.
5oee LARGE SUBUNIT
TERMINASE

(Phage D6E) 		no annotation 4 LEU A 136
MET A  60
ILE A  75
ASP A 142
 None
 1.20A 3hecA-5oeeA:
1.3		 3hecA-5oeeA:
23.66
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.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 LEU A 182
MET A 155
ILE A 235
ASP A 238
 None
None
None
ZN  A 501 (-2.3A)
 1.44A 3hecA-5vemA:
undetectable		 3hecA-5vemA:
22.37
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.
5vmt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 LEU A 327
MET A 317
ILE A  72
ASP A  34
 None
None
None
NAD  A 401 (-3.0A)
 1.32A 3hecA-5vmtA:
undetectable		 3hecA-5vmtA:
20.68
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.
5wx4 ALKYLQUINOLONE
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A 264
MET A 164
ILE A 103
ASP A 222
 None
 1.22A 3hecA-5wx4A:
undetectable		 3hecA-5wx4A:
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.
6b4w DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		no annotation 4 LEU A 654
MET A 727
ILE A 638
ASP A 647
 CQ7  A 801 (-4.5A)
None
None
None
 1.40A 3hecA-6b4wA:
22.2		 3hecA-6b4wA:
23.99
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.
6dk2 -

(-) 		no annotation 4 LEU A 392
MET A 313
ILE A 341
ASP A 326
 None
 1.44A 3hecA-6dk2A:
2.2		 3hecA-6dk2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fth EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		no annotation 4 LEU A 194
MET A 189
ILE A 212
ASP A 320
 None
 1.17A 3hecA-6fthA:
undetectable		 3hecA-6fthA:
13.78