SIMILAR PATTERNS OF AMINO ACIDS FOR 4KOE_F_TR6F101_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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 SER A 500
GLY A 619
ASP A 618
GLY A 537
 None
 0.88A 4koeA-1c7tA:
0.0
4koeB-1c7tA:
0.0
4koeC-1c7tA:
undetectable		 4koeA-1c7tA:
20.55
4koeB-1c7tA:
20.55
4koeC-1c7tA:
16.00
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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 SER A 121
GLY A 104
ASP A 107
GLY A 102
 None
 0.92A 4koeA-1csjA:
0.0
4koeB-1csjA:
0.0
4koeC-1csjA:
undetectable		 4koeA-1csjA:
21.90
4koeB-1csjA:
21.90
4koeC-1csjA:
18.88
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.
1d02 TYPE II RESTRICTION
ENZYME MUNI

(Mycoplasma) 		PF11407
(RestrictionMunI) 		4 SER A 122
GLY A 104
ASP A 159
GLY A 116
 None
 0.94A 4koeA-1d02A:
undetectable
4koeB-1d02A:
0.0
4koeC-1d02A:
undetectable		 4koeA-1d02A:
17.62
4koeB-1d02A:
17.62
4koeC-1d02A:
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.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		4 SER A 462
GLY A 448
ASP A 450
GLY A 170
 None
 1.01A 4koeA-1gqjA:
0.3
4koeB-1gqjA:
0.4
4koeC-1gqjA:
undetectable		 4koeA-1gqjA:
22.78
4koeB-1gqjA:
22.78
4koeC-1gqjA:
16.60
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.
1l8f ENDOGLUCANASE

(Melanocarpus
albomyces) 		PF02015
(Glyco_hydro_45) 		4 SER A 107
GLY A 115
ASP A 113
GLY A  78
 None
 1.01A 4koeA-1l8fA:
0.0
4koeB-1l8fA:
0.0
4koeC-1l8fA:
undetectable		 4koeA-1l8fA:
18.95
4koeB-1l8fA:
18.95
4koeC-1l8fA:
21.00
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 SER A  24
GLY A 238
ASP A 234
GLY A 397
 None
None
ADN  A 502 (-2.8A)
ADN  A 502 ( 3.7A)
 1.03A 4koeA-1v8bA:
0.0
4koeB-1v8bA:
0.0
4koeC-1v8bA:
undetectable		 4koeA-1v8bA:
23.99
4koeB-1v8bA:
23.99
4koeC-1v8bA:
20.21
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.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 SER A 365
GLY A 232
ASP A 231
GLY A 101
 None
 0.99A 4koeA-1w9xA:
undetectable
4koeB-1w9xA:
undetectable
4koeC-1w9xA:
undetectable		 4koeA-1w9xA:
19.14
4koeB-1w9xA:
19.14
4koeC-1w9xA:
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		4 SER A 227
GLY A 281
ASP A 218
GLY A 214
 None
 0.82A 4koeA-2abjA:
0.0
4koeB-2abjA:
0.0
4koeC-2abjA:
undetectable		 4koeA-2abjA:
20.98
4koeB-2abjA:
20.98
4koeC-2abjA:
21.32
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 SER A 365
GLY A 232
ASP A 231
GLY A 101
 None
 1.00A 4koeA-2d3lA:
undetectable
4koeB-2d3lA:
undetectable
4koeC-2d3lA:
undetectable		 4koeA-2d3lA:
20.41
4koeB-2d3lA:
20.41
4koeC-2d3lA:
19.00
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.
2d3r LECTIN ALPHA CHAIN

(Cratylia
argentea) 		PF00139
(Lectin_legB) 		4 SER A 218
ARG A 171
GLY A 225
GLY A 223
 None
 1.00A 4koeA-2d3rA:
undetectable
4koeB-2d3rA:
undetectable
4koeC-2d3rA:
undetectable		 4koeA-2d3rA:
17.55
4koeB-2d3rA:
17.55
4koeC-2d3rA:
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.
2dch PUTATIVE HOMING
ENDONUCLEASE

(Thermoproteus) 		PF14528
(LAGLIDADG_3) 		4 SER X 132
GLY X 105
ASP X  14
GLY X   9
 None
 0.99A 4koeA-2dchX:
2.8
4koeB-2dchX:
2.8
4koeC-2dchX:
undetectable		 4koeA-2dchX:
19.51
4koeB-2dchX:
19.51
4koeC-2dchX:
28.57
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.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 SER A  67
GLY A 181
ASP A 225
GLY A 178
 None
None
None
FAD  A 699 (-4.2A)
 1.04A 4koeA-2ddhA:
undetectable
4koeB-2ddhA:
undetectable
4koeC-2ddhA:
undetectable		 4koeA-2ddhA:
22.29
4koeB-2ddhA:
22.29
4koeC-2ddhA:
16.72
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 ARG A 733
GLY A 774
ASP A 776
GLY A 770
 None
 1.01A 4koeA-2eaeA:
undetectable
4koeB-2eaeA:
undetectable
4koeC-2eaeA:
undetectable		 4koeA-2eaeA:
19.81
4koeB-2eaeA:
19.81
4koeC-2eaeA:
13.85
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.
2ep5 350AA LONG
HYPOTHETICAL
ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 SER A 157
GLY A 305
ASP A 327
GLY A 335
 None
 0.91A 4koeA-2ep5A:
1.7
4koeB-2ep5A:
1.7
4koeC-2ep5A:
2.2		 4koeA-2ep5A:
22.09
4koeB-2ep5A:
22.09
4koeC-2ep5A:
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.
2inv INSULIN
FRUCTOTRANSFERASE

(Bacillus sp.
snu-7) 		no annotation 4 SER A 133
GLY A 271
ASP A 270
GLY A 293
 FRU  A   1 (-2.7A)
None
None
None
 1.03A 4koeA-2invA:
undetectable
4koeB-2invA:
undetectable
4koeC-2invA:
undetectable		 4koeA-2invA:
20.73
4koeB-2invA:
20.73
4koeC-2invA:
20.15
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.
2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Thermotoga
maritima) 		PF01680
(SOR_SNZ) 		4 SER A 105
ARG A 148
GLY A 215
GLY A 154
 5RP  A 294 ( 4.7A)
5RP  A 294 (-3.7A)
5RP  A 294 (-3.7A)
5RP  A 294 (-3.4A)
 1.05A 4koeA-2issA:
undetectable
4koeB-2issA:
undetectable
4koeC-2issA:
undetectable		 4koeA-2issA:
21.37
4koeB-2issA:
21.37
4koeC-2issA:
27.55
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.
2nv2 PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Bacillus
subtilis) 		PF01680
(SOR_SNZ) 		4 SER A 104
ARG A 147
GLY A 214
GLY A 153
 None
 0.86A 4koeA-2nv2A:
undetectable
4koeB-2nv2A:
undetectable
4koeC-2nv2A:
undetectable		 4koeA-2nv2A:
20.85
4koeB-2nv2A:
20.85
4koeC-2nv2A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 SER B 714
ARG B 581
GLY B 557
GLY B 571
 None
 0.89A 4koeA-2o8eB:
0.3
4koeB-2o8eB:
undetectable
4koeC-2o8eB:
undetectable		 4koeA-2o8eB:
18.70
4koeB-2o8eB:
18.70
4koeC-2o8eB:
13.79
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		4 SER A  88
GLY A 125
ASP A  37
GLY A  34
 None
 1.00A 4koeA-2qzxA:
undetectable
4koeB-2qzxA:
undetectable
4koeC-2qzxA:
undetectable		 4koeA-2qzxA:
23.11
4koeB-2qzxA:
23.11
4koeC-2qzxA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rui LPXTG-SITE
TRANSPEPTIDASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF04203
(Sortase) 		4 SER A  87
GLY A 201
ASP A 202
GLY A 162
 None
 1.05A 4koeA-2ruiA:
undetectable
4koeB-2ruiA:
undetectable
4koeC-2ruiA:
undetectable		 4koeA-2ruiA:
17.21
4koeB-2ruiA:
17.21
4koeC-2ruiA:
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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 SER A 172
GLY A  26
ASP A  27
GLY A  99
 None
 1.04A 4koeA-2vbiA:
undetectable
4koeB-2vbiA:
undetectable
4koeC-2vbiA:
undetectable		 4koeA-2vbiA:
21.88
4koeB-2vbiA:
21.88
4koeC-2vbiA:
19.12
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.
2wvg PYRUVATE
DECARBOXYLASE

(Zymomonas
mobilis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 SER A 172
GLY A  26
ASP A  27
GLY A  99
 None
F  A 569 ( 3.1A)
F  A 569 (-3.8A)
None
 1.04A 4koeA-2wvgA:
undetectable
4koeB-2wvgA:
undetectable
4koeC-2wvgA:
undetectable		 4koeA-2wvgA:
22.48
4koeB-2wvgA:
22.48
4koeC-2wvgA:
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.
2y4y PILP PROTEIN

(Pseudomonas
aeruginosa) 		PF04351
(PilP) 		4 ARG A 164
GLY A 138
ASP A 137
GLY A 134
 None
 0.79A 4koeA-2y4yA:
undetectable
4koeB-2y4yA:
undetectable
4koeC-2y4yA:
undetectable		 4koeA-2y4yA:
11.91
4koeB-2y4yA:
11.91
4koeC-2y4yA:
16.79
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.
2yp1 AROMATIC
PEROXYGENASE

(Agrocybe
aegerita) 		PF01328
(Peroxidase_2) 		4 SER A 271
GLY A 123
ASP A 124
GLY A 119
 None
HEM  A 350 ( 3.8A)
None
None
 0.86A 4koeA-2yp1A:
0.9
4koeB-2yp1A:
undetectable
4koeC-2yp1A:
undetectable		 4koeA-2yp1A:
20.56
4koeB-2yp1A:
20.56
4koeC-2yp1A:
20.64
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.
2yp1 AROMATIC
PEROXYGENASE

(Agrocybe
aegerita) 		PF01328
(Peroxidase_2) 		4 SER A 272
GLY A 123
ASP A 124
GLY A 119
 None
HEM  A 350 ( 3.8A)
None
None
 0.93A 4koeA-2yp1A:
0.9
4koeB-2yp1A:
undetectable
4koeC-2yp1A:
undetectable		 4koeA-2yp1A:
20.56
4koeB-2yp1A:
20.56
4koeC-2yp1A:
20.64
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.
2z01 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Geobacillus
kaustophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 SER A 184
GLY A 126
ASP A 125
GLY A  81
 None
 1.04A 4koeA-2z01A:
1.2
4koeB-2z01A:
1.2
4koeC-2z01A:
undetectable		 4koeA-2z01A:
22.90
4koeB-2z01A:
22.90
4koeC-2z01A:
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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		4 SER A 247
GLY A 219
ASP A 218
GLY A 257
 None
 0.94A 4koeA-2zukA:
2.3
4koeB-2zukA:
2.3
4koeC-2zukA:
undetectable		 4koeA-2zukA:
23.09
4koeB-2zukA:
23.09
4koeC-2zukA:
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 SER A 265
GLY A  37
ASP A  38
GLY A  56
 None
 0.93A 4koeA-3b1bA:
undetectable
4koeB-3b1bA:
undetectable
4koeC-3b1bA:
undetectable		 4koeA-3b1bA:
21.10
4koeB-3b1bA:
21.10
4koeC-3b1bA:
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.
3bbl REGULATORY PROTEIN
OF LACI FAMILY

(Chloroflexus
aggregans) 		PF13377
(Peripla_BP_3) 		4 SER A 196
GLY A 171
ASP A 167
GLY A 205
 None
 1.04A 4koeA-3bblA:
undetectable
4koeB-3bblA:
undetectable
4koeC-3bblA:
3.8		 4koeA-3bblA:
22.82
4koeB-3bblA:
22.82
4koeC-3bblA:
20.06
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.
3cs3 SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Enterococcus
faecalis) 		PF13377
(Peripla_BP_3) 		4 SER A  72
GLY A 207
ASP A 208
GLY A 214
 None
 1.01A 4koeA-3cs3A:
undetectable
4koeB-3cs3A:
undetectable
4koeC-3cs3A:
3.1		 4koeA-3cs3A:
21.43
4koeB-3cs3A:
21.43
4koeC-3cs3A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 SER A 456
GLY A 531
ASP A 506
GLY A 503
 None
 0.68A 4koeA-3gq9A:
undetectable
4koeB-3gq9A:
undetectable
4koeC-3gq9A:
undetectable		 4koeA-3gq9A:
21.23
4koeB-3gq9A:
21.23
4koeC-3gq9A:
17.38
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 ARG B 525
GLY B 302
ASP B 307
GLY B 195
 None
 0.97A 4koeA-3hkzB:
undetectable
4koeB-3hkzB:
undetectable
4koeC-3hkzB:
undetectable		 4koeA-3hkzB:
19.36
4koeB-3hkzB:
19.36
4koeC-3hkzB:
12.48
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		4 SER 1 413
GLY 1 379
ASP 1 383
GLY 1 375
 None
 0.99A 4koeA-3i9v1:
undetectable
4koeB-3i9v1:
undetectable
4koeC-3i9v1:
1.8		 4koeA-3i9v1:
23.54
4koeB-3i9v1:
23.54
4koeC-3i9v1:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ik4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Herpetosiphon
aurantiacus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 237
GLY A 166
ASP A 172
GLY A 192
 None
 0.98A 4koeA-3ik4A:
undetectable
4koeB-3ik4A:
undetectable
4koeC-3ik4A:
2.2		 4koeA-3ik4A:
23.22
4koeB-3ik4A:
23.22
4koeC-3ik4A:
21.24
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 ARG W1175
GLY W1216
ASP W1209
GLY W1214
 None
 0.97A 4koeA-3iylW:
undetectable
4koeB-3iylW:
undetectable
4koeC-3iylW:
undetectable		 4koeA-3iylW:
16.30
4koeB-3iylW:
16.30
4koeC-3iylW:
11.47
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF17

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 SER L 212
GLY L 199
ASP L 198
GLY L 195
 None
 1.01A 4koeA-3jb9L:
undetectable
4koeB-3jb9L:
undetectable
4koeC-3jb9L:
undetectable		 4koeA-3jb9L:
22.35
4koeB-3jb9L:
22.35
4koeC-3jb9L:
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.
3kyd SUMO-ACTIVATING
ENZYME SUBUNIT 2

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL) 		4 SER B  79
GLY B  24
ASP B  48
GLY B  27
 None
 1.04A 4koeA-3kydB:
undetectable
4koeB-3kydB:
undetectable
4koeC-3kydB:
undetectable		 4koeA-3kydB:
22.26
4koeB-3kydB:
22.26
4koeC-3kydB:
19.24
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		4 SER A 141
GLY A  89
ASP A 148
GLY A 332
 None
 0.93A 4koeA-3lnpA:
undetectable
4koeB-3lnpA:
1.4
4koeC-3lnpA:
undetectable		 4koeA-3lnpA:
23.94
4koeB-3lnpA:
23.94
4koeC-3lnpA:
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		4 ARG A 258
GLY A 216
ASP A 217
GLY A 227
 None
None
IOD  A 342 ( 4.5A)
None
 0.95A 4koeA-3menA:
undetectable
4koeB-3menA:
undetectable
4koeC-3menA:
undetectable		 4koeA-3menA:
20.83
4koeB-3menA:
20.83
4koeC-3menA:
21.02
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.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		4 SER A 103
ARG A 146
GLY A 214
GLY A 152
 None
 0.89A 4koeA-3o07A:
undetectable
4koeB-3o07A:
undetectable
4koeC-3o07A:
undetectable		 4koeA-3o07A:
21.91
4koeB-3o07A:
21.91
4koeC-3o07A:
23.84
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.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		4 SER A 319
ARG A 415
GLY A 381
GLY A 383
 None
 0.95A 4koeA-3ohnA:
undetectable
4koeB-3ohnA:
undetectable
4koeC-3ohnA:
undetectable		 4koeA-3ohnA:
21.85
4koeB-3ohnA:
21.85
4koeC-3ohnA:
16.70
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.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 SER A 121
GLY A 104
ASP A 107
GLY A 102
 None
 0.89A 4koeA-3qghA:
2.9
4koeB-3qghA:
2.8
4koeC-3qghA:
undetectable		 4koeA-3qghA:
21.65
4koeB-3qghA:
21.65
4koeC-3qghA:
19.09
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.
3qk7 TRANSCRIPTIONAL
REGULATORS

(Yersinia pestis) 		PF00532
(Peripla_BP_1) 		4 SER A  23
GLY A 199
ASP A 200
GLY A 224
 None
 1.02A 4koeA-3qk7A:
undetectable
4koeB-3qk7A:
undetectable
4koeC-3qk7A:
2.6		 4koeA-3qk7A:
20.72
4koeB-3qk7A:
20.72
4koeC-3qk7A:
22.48
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ARG A  99
GLY A 488
ASP A 487
GLY A 464
 None
FAD  A 773 (-3.3A)
FAD  A 773 (-4.4A)
None
 1.04A 4koeA-3redA:
undetectable
4koeB-3redA:
undetectable
4koeC-3redA:
undetectable		 4koeA-3redA:
19.65
4koeB-3redA:
19.65
4koeC-3redA:
17.68
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 ARG A 439
GLY A 469
ASP A 470
GLY A 465
 None
 0.97A 4koeA-3sucA:
undetectable
4koeB-3sucA:
undetectable
4koeC-3sucA:
undetectable		 4koeA-3sucA:
20.40
4koeB-3sucA:
20.40
4koeC-3sucA:
15.65
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 SER A 456
GLY A 531
ASP A 506
GLY A 503
 None
 0.77A 4koeA-3sucA:
undetectable
4koeB-3sucA:
undetectable
4koeC-3sucA:
undetectable		 4koeA-3sucA:
20.40
4koeB-3sucA:
20.40
4koeC-3sucA:
15.65
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 SER A 143
GLY A 453
ASP A 452
GLY A 477
 None
 0.81A 4koeA-3szeA:
undetectable
4koeB-3szeA:
undetectable
4koeC-3szeA:
undetectable		 4koeA-3szeA:
18.75
4koeB-3szeA:
18.75
4koeC-3szeA:
13.80
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.
3tji MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Enterobacter
sp. 638) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A  91
GLY A 310
ASP A 311
GLY A 308
 None
None
GOL  A 400 (-2.7A)
None
 0.98A 4koeA-3tjiA:
undetectable
4koeB-3tjiA:
undetectable
4koeC-3tjiA:
undetectable		 4koeA-3tjiA:
19.88
4koeB-3tjiA:
19.88
4koeC-3tjiA:
22.40
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.
3uoe DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02615
(Ldh_2) 		4 SER A 138
GLY A  67
ASP A  80
GLY A  84
 None
 0.90A 4koeA-3uoeA:
undetectable
4koeB-3uoeA:
undetectable
4koeC-3uoeA:
undetectable		 4koeA-3uoeA:
20.68
4koeB-3uoeA:
20.68
4koeC-3uoeA:
24.59
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		4 SER A 336
GLY A 124
ASP A 121
GLY A 376
 None
 1.03A 4koeA-3va8A:
undetectable
4koeB-3va8A:
undetectable
4koeC-3va8A:
undetectable		 4koeA-3va8A:
23.65
4koeB-3va8A:
23.65
4koeC-3va8A:
21.95
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 SER A 367
GLY A 320
ASP A 353
GLY A 335
 None
 1.01A 4koeA-3vtfA:
undetectable
4koeB-3vtfA:
undetectable
4koeC-3vtfA:
undetectable		 4koeA-3vtfA:
20.15
4koeB-3vtfA:
20.15
4koeC-3vtfA:
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.
3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP

(Salmonella
enterica) 		PF00814
(Peptidase_M22) 		4 SER B   9
GLY B 163
ASP B 167
GLY B 268
 AGS  B1342 ( 4.9A)
ADP  B1343 (-3.3A)
ADP  B1343 (-2.9A)
AGS  B1342 (-3.1A)
 0.88A 4koeA-3zeuB:
undetectable
4koeB-3zeuB:
undetectable
4koeC-3zeuB:
undetectable		 4koeA-3zeuB:
23.53
4koeB-3zeuB:
23.53
4koeC-3zeuB:
22.77
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.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		4 SER B 121
GLY B 244
ASP B 243
GLY B 226
 None
 0.90A 4koeA-4aczB:
undetectable
4koeB-4aczB:
undetectable
4koeC-4aczB:
undetectable		 4koeA-4aczB:
21.69
4koeB-4aczB:
21.69
4koeC-4aczB:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ads PYRIDOXINE
BIOSYNTHETIC ENZYME
PDX1 HOMOLOGUE,
PUTATIVE

(Plasmodium
berghei) 		PF01680
(SOR_SNZ) 		4 SER A 107
ARG A 150
GLY A 217
GLY A 156
 None
None
PO4  A 302 (-3.8A)
PO4  A 302 (-3.6A)
 0.88A 4koeA-4adsA:
undetectable
4koeB-4adsA:
undetectable
4koeC-4adsA:
undetectable		 4koeA-4adsA:
20.37
4koeB-4adsA:
20.37
4koeC-4adsA:
22.84
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		4 SER A 251
ARG A 239
ASP A 277
GLY A 451
 None
 0.89A 4koeA-4c3yA:
undetectable
4koeB-4c3yA:
undetectable
4koeC-4c3yA:
undetectable		 4koeA-4c3yA:
22.56
4koeB-4c3yA:
22.56
4koeC-4c3yA:
20.64
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.
4d4p PROTEIN ATS1,
DIPHTHAMIDE
BIOSYNTHESIS PROTEIN
3

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF05207
(zf-CSL) 		4 SER A 270
GLY A  61
ASP A  62
GLY A  11
 None
 0.99A 4koeA-4d4pA:
undetectable
4koeB-4d4pA:
undetectable
4koeC-4d4pA:
undetectable		 4koeA-4d4pA:
21.89
4koeB-4d4pA:
21.89
4koeC-4d4pA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		4 SER A 342
GLY A 323
ASP A 325
GLY A 294
 None
None
FE  A 501 (-2.8A)
None
 0.90A 4koeA-4f0lA:
undetectable
4koeB-4f0lA:
undetectable
4koeC-4f0lA:
undetectable		 4koeA-4f0lA:
22.64
4koeB-4f0lA:
22.64
4koeC-4f0lA:
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.
4gd5 PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		4 ARG A 162
GLY A 185
ASP A 184
GLY A  70
 None
None
None
PO4  A 301 ( 3.8A)
 0.98A 4koeA-4gd5A:
undetectable
4koeB-4gd5A:
undetectable
4koeC-4gd5A:
undetectable		 4koeA-4gd5A:
21.01
4koeB-4gd5A:
21.01
4koeC-4gd5A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 SER A 316
GLY A 357
ASP A 376
GLY A 466
 None
 0.94A 4koeA-4j3bA:
2.1
4koeB-4j3bA:
undetectable
4koeC-4j3bA:
undetectable		 4koeA-4j3bA:
19.82
4koeB-4j3bA:
19.82
4koeC-4j3bA:
14.38
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.
4j57 THIOREDOXIN
REDUCTASE 2

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A 152
GLY A  48
ASP A  71
GLY A  52
 None
FAD  A 601 (-3.4A)
FAD  A 601 (-3.6A)
FAD  A 601 (-3.4A)
 0.99A 4koeA-4j57A:
undetectable
4koeB-4j57A:
undetectable
4koeC-4j57A:
undetectable		 4koeA-4j57A:
23.14
4koeB-4j57A:
23.14
4koeC-4j57A:
18.78
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.
4jdy PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Mycobacterium
tuberculosis) 		PF01680
(SOR_SNZ) 		4 SER A 109
ARG A 152
GLY A 219
GLY A 158
 None
 0.94A 4koeA-4jdyA:
undetectable
4koeB-4jdyA:
undetectable
4koeC-4jdyA:
undetectable		 4koeA-4jdyA:
20.00
4koeB-4jdyA:
20.00
4koeC-4jdyA:
23.75
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		4 SER B 242
GLY B 171
ASP B 172
GLY B  91
 None
None
ACT  B 902 (-3.5A)
PYC  B 904 (-3.5A)
 0.98A 4koeA-4k7gB:
undetectable
4koeB-4k7gB:
undetectable
4koeC-4k7gB:
undetectable		 4koeA-4k7gB:
21.63
4koeB-4k7gB:
21.63
4koeC-4k7gB:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		4 SER A 128
GLY A  84
ASP A  85
GLY A 233
 None
 1.04A 4koeA-4k9sA:
undetectable
4koeB-4k9sA:
undetectable
4koeC-4k9sA:
3.7		 4koeA-4k9sA:
22.58
4koeB-4k9sA:
22.58
4koeC-4k9sA:
22.02
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.
4kaq RITUXIMAB HEAVY
CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H  99
GLY H  56
ASP H  57
GLY H  54
 None
 0.98A 4koeA-4kaqH:
2.4
4koeB-4kaqH:
2.4
4koeC-4kaqH:
undetectable		 4koeA-4kaqH:
16.84
4koeB-4kaqH:
16.84
4koeC-4kaqH:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 SER A1150
GLY A1116
ASP A1117
GLY A1121
 None
None
None
ATP  A1402 (-3.3A)
 0.96A 4koeA-4n1aA:
undetectable
4koeB-4n1aA:
undetectable
4koeC-4n1aA:
2.3		 4koeA-4n1aA:
23.08
4koeB-4n1aA:
23.08
4koeC-4n1aA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A 205
GLY A 165
ASP A 168
GLY A 193
 None
 0.96A 4koeA-4nd4A:
undetectable
4koeB-4nd4A:
undetectable
4koeC-4nd4A:
2.1		 4koeA-4nd4A:
21.85
4koeB-4nd4A:
21.85
4koeC-4nd4A:
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.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A 205
GLY A 165
ASP A 168
GLY A 288
 None
 0.78A 4koeA-4nd4A:
undetectable
4koeB-4nd4A:
undetectable
4koeC-4nd4A:
2.1		 4koeA-4nd4A:
21.85
4koeB-4nd4A:
21.85
4koeC-4nd4A:
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 SER A1150
GLY A1116
ASP A1117
GLY A1121
 None
None
None
ATP  A1404 (-3.2A)
 0.93A 4koeA-4nh0A:
undetectable
4koeB-4nh0A:
undetectable
4koeC-4nh0A:
3.1		 4koeA-4nh0A:
18.05
4koeB-4nh0A:
18.05
4koeC-4nh0A:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		4 SER A 105
GLY A 218
ASP A 217
GLY A 214
 None
BU1  A 307 ( 3.7A)
None
BU1  A 307 (-4.1A)
 0.84A 4koeA-4op4A:
undetectable
4koeB-4op4A:
undetectable
4koeC-4op4A:
3.2		 4koeA-4op4A:
20.48
4koeB-4op4A:
20.48
4koeC-4op4A:
21.48
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.
4q8r PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		4 ARG A 132
GLY A 155
ASP A 154
GLY A  40
 None
None
None
PO4  A 301 (-3.6A)
 0.99A 4koeA-4q8rA:
undetectable
4koeB-4q8rA:
undetectable
4koeC-4q8rA:
undetectable		 4koeA-4q8rA:
21.51
4koeB-4q8rA:
21.51
4koeC-4q8rA:
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 ARG A 531
GLY A 432
ASP A 497
GLY A 495
 None
 0.89A 4koeA-4r1dA:
undetectable
4koeB-4r1dA:
undetectable
4koeC-4r1dA:
3.8		 4koeA-4r1dA:
20.96
4koeB-4r1dA:
20.96
4koeC-4r1dA:
17.99
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.
4wxz PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Geobacillus
kaustophilus) 		PF01680
(SOR_SNZ) 		4 SER A 104
ARG A 147
GLY A 214
GLY A 153
 L5P  A  81 ( 3.8A)
None
L5P  A  81 ( 3.7A)
L5P  A  81 ( 3.8A)
 0.86A 4koeA-4wxzA:
undetectable
4koeB-4wxzA:
undetectable
4koeC-4wxzA:
undetectable		 4koeA-4wxzA:
21.33
4koeB-4wxzA:
21.33
4koeC-4wxzA:
21.67
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.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		4 SER A 110
GLY A  42
ASP A  64
GLY A  46
 None
 0.88A 4koeA-4y7dA:
undetectable
4koeB-4y7dA:
undetectable
4koeC-4y7dA:
3.3		 4koeA-4y7dA:
20.56
4koeB-4y7dA:
20.56
4koeC-4y7dA:
19.75
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 SER A 315
GLY A 131
ASP A 132
GLY A  71
 None
 0.94A 4koeA-5by7A:
undetectable
4koeB-5by7A:
undetectable
4koeC-5by7A:
undetectable		 4koeA-5by7A:
23.97
4koeB-5by7A:
23.97
4koeC-5by7A:
24.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ex2 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Hirschia
baltica) 		PF00160
(Pro_isomerase) 		4 ARG A 173
GLY A 192
ASP A 194
GLY A  31
 MG  A 302 (-4.1A)
None
None
None
 0.94A 4koeA-5ex2A:
undetectable
4koeB-5ex2A:
undetectable
4koeC-5ex2A:
undetectable		 4koeA-5ex2A:
18.70
4koeB-5ex2A:
18.70
4koeC-5ex2A:
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.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A  36
GLY A 143
ASP A 103
GLY A 132
 None
 0.95A 4koeA-5fokA:
undetectable
4koeB-5fokA:
undetectable
4koeC-5fokA:
undetectable		 4koeA-5fokA:
21.39
4koeB-5fokA:
21.39
4koeC-5fokA:
16.12
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.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A  38
GLY A 143
ASP A 103
GLY A 132
 None
 0.77A 4koeA-5fokA:
undetectable
4koeB-5fokA:
undetectable
4koeC-5fokA:
undetectable		 4koeA-5fokA:
21.39
4koeB-5fokA:
21.39
4koeC-5fokA:
16.12
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.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN

(Klebsiella
pneumoniae) 		PF13407
(Peripla_BP_4) 		4 SER A 169
GLY A 139
ASP A 135
GLY A 178
 None
 1.01A 4koeA-5hsgA:
undetectable
4koeB-5hsgA:
undetectable
4koeC-5hsgA:
3.3		 4koeA-5hsgA:
22.54
4koeB-5hsgA:
22.54
4koeC-5hsgA:
21.67
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.
5hy4 RING-OPENING
AMIDOHYDROLASE

(Frankia sp.
Eul1b) 		PF09663
(Amido_AtzD_TrzD) 		4 SER A 270
ARG A 387
GLY A 298
GLY A 277
 None
 0.99A 4koeA-5hy4A:
undetectable
4koeB-5hy4A:
undetectable
4koeC-5hy4A:
undetectable		 4koeA-5hy4A:
22.01
4koeB-5hy4A:
22.01
4koeC-5hy4A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iu9 PROTOCADHERIN-19
ISOFORM 1

(Danio rerio) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 SER A 116
GLY A 248
ASP A 241
GLY A 299
 None
CA  A1006 ( 4.4A)
CA  A1006 (-2.1A)
None
 0.99A 4koeA-5iu9A:
undetectable
4koeB-5iu9A:
undetectable
4koeC-5iu9A:
undetectable		 4koeA-5iu9A:
25.00
4koeB-5iu9A:
25.00
4koeC-5iu9A:
18.75
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.
5k2z PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.3

(Arabidopsis
thaliana) 		PF01680
(SOR_SNZ) 		4 SER A 120
ARG A 163
GLY A 230
GLY A 169
 6R3  A 404 (-3.1A)
6R3  A 404 (-3.8A)
SO4  A 403 (-3.4A)
SO4  A 403 (-3.6A)
 0.85A 4koeA-5k2zA:
undetectable
4koeB-5k2zA:
undetectable
4koeC-5k2zA:
undetectable		 4koeA-5k2zA:
22.07
4koeB-5k2zA:
22.07
4koeC-5k2zA:
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.
5k3h ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 SER A  75
GLY A 194
ASP A 238
GLY A 191
 None
 0.84A 4koeA-5k3hA:
undetectable
4koeB-5k3hA:
undetectable
4koeC-5k3hA:
undetectable		 4koeA-5k3hA:
24.60
4koeB-5k3hA:
24.60
4koeC-5k3hA:
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 SER A 783
GLY A 761
ASP A 762
GLY A 766
 NAD  A2002 (-2.6A)
None
None
NAD  A2002 (-3.6A)
 1.04A 4koeA-5kf7A:
undetectable
4koeB-5kf7A:
undetectable
4koeC-5kf7A:
2.2		 4koeA-5kf7A:
18.12
4koeB-5kf7A:
18.12
4koeC-5kf7A:
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.
5lnt PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.1

(Arabidopsis
thaliana) 		PF01680
(SOR_SNZ) 		4 SER A 121
ARG A 164
GLY A 231
GLY A 170
 KPR  A 401 (-3.2A)
KPR  A 401 (-4.0A)
KPR  A 401 (-3.6A)
KPR  A 401 (-3.9A)
 0.88A 4koeA-5lntA:
undetectable
4koeB-5lntA:
undetectable
4koeC-5lntA:
undetectable		 4koeA-5lntA:
22.76
4koeB-5lntA:
22.76
4koeC-5lntA:
21.52
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.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		4 SER A 247
GLY A 219
ASP A 218
GLY A 257
 None
 0.94A 4koeA-5m49A:
1.1
4koeB-5m49A:
0.9
4koeC-5m49A:
undetectable		 4koeA-5m49A:
22.93
4koeB-5m49A:
22.93
4koeC-5m49A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 SER A 185
ARG A 168
GLY A 235
ASP A 234
GLY A 229
 None
 1.24A 4koeA-5neuA:
undetectable
4koeB-5neuA:
undetectable
4koeC-5neuA:
undetectable		 4koeA-5neuA:
23.88
4koeB-5neuA:
23.88
4koeC-5neuA:
18.94
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.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 ARG A 106
GLY A 112
ASP A 113
GLY A 195
 None
 0.88A 4koeA-5th6A:
undetectable
4koeB-5th6A:
undetectable
4koeC-5th6A:
undetectable		 4koeA-5th6A:
18.15
4koeB-5th6A:
18.15
4koeC-5th6A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj0 POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		no annotation 4 ARG A 213
GLY A 177
ASP A 180
GLY A 175
 None
 1.05A 4koeA-5uj0A:
undetectable
4koeB-5uj0A:
undetectable
4koeC-5uj0A:
undetectable		 4koeA-5uj0A:
16.34
4koeB-5uj0A:
16.34
4koeC-5uj0A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		4 ARG A 458
GLY A  35
ASP A  38
GLY A 240
 ACT  A 506 (-4.3A)
None
None
None
 0.89A 4koeA-5v0tA:
undetectable
4koeB-5v0tA:
undetectable
4koeC-5v0tA:
2.8		 4koeA-5v0tA:
21.74
4koeB-5v0tA:
21.74
4koeC-5v0tA:
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.
5vrv PROTEIN REGULATED BY
ACID PH

(Agrobacterium
fabrum) 		PF09924
(DUF2156) 		4 SER A 755
GLY A 668
ASP A 671
GLY A 761
 None
 1.04A 4koeA-5vrvA:
undetectable
4koeB-5vrvA:
undetectable
4koeC-5vrvA:
undetectable		 4koeA-5vrvA:
23.03
4koeB-5vrvA:
23.03
4koeC-5vrvA:
20.86
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.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 SER A 237
ARG A 244
GLY A  45
GLY A  29
 None
 1.03A 4koeA-5w3fA:
undetectable
4koeB-5w3fA:
undetectable
4koeC-5w3fA:
3.3		 4koeA-5w3fA:
25.05
4koeB-5w3fA:
25.05
4koeC-5w3fA:
21.21
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.
5x3e KINESIN-LIKE PROTEIN

(Caenorhabditis
elegans) 		PF00225
(Kinesin) 		4 SER A 259
ARG A 191
GLY A 130
GLY A 132
 None
 0.99A 4koeA-5x3eA:
undetectable
4koeB-5x3eA:
undetectable
4koeC-5x3eA:
undetectable		 4koeA-5x3eA:
23.96
4koeB-5x3eA:
23.96
4koeC-5x3eA:
19.78
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.
5x4r S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		no annotation 4 SER A 328
GLY A  55
ASP A  54
GLY A 276
 None
 1.04A 4koeA-5x4rA:
undetectable
4koeB-5x4rA:
undetectable
4koeC-5x4rA:
undetectable		 4koeA-5x4rA:
21.64
4koeB-5x4rA:
21.64
4koeC-5x4rA:
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.
5z6o PROTEASE

(Penicillium
cyclopium) 		no annotation 4 SER A 228
GLY A 101
ASP A 103
GLY A 106
 PMS  A 302 (-1.5A)
None
None
None
 1.00A 4koeA-5z6oA:
undetectable
4koeB-5z6oA:
undetectable
4koeC-5z6oA:
2.2		 4koeA-5z6oA:
10.25
4koeB-5z6oA:
10.25
4koeC-5z6oA:
13.91
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 4 SER B 247
GLY B 258
ASP B 255
GLY B 260
 None
 0.96A 4koeA-6btmB:
undetectable
4koeB-6btmB:
undetectable
4koeC-6btmB:
2.1		 4koeA-6btmB:
11.51
4koeB-6btmB:
11.51
4koeC-6btmB:
16.26
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 4 SER A 215
ARG A 305
GLY A 309
GLY A 228
 None
 0.98A 4koeA-6bvgA:
undetectable
4koeB-6bvgA:
undetectable
4koeC-6bvgA:
undetectable		 4koeA-6bvgA:
8.88
4koeB-6bvgA:
8.88
4koeC-6bvgA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6epd PROTEASOME SUBUNIT
BETA TYPE-4

(Rattus
norvegicus) 		no annotation 4 SER 7 142
GLY 7  99
ASP 7 100
GLY 7 157
 None
 0.75A 4koeA-6epd7:
undetectable
4koeB-6epd7:
undetectable
4koeC-6epd7:
undetectable		 4koeA-6epd7:
9.92
4koeB-6epd7:
9.92
4koeC-6epd7:
11.57
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ARG A 154
GLY A 130
ASP A 129
GLY A 124
 None
 0.96A 4koeA-6fhwA:
undetectable
4koeB-6fhwA:
undetectable
4koeC-6fhwA:
undetectable		 4koeA-6fhwA:
9.68
4koeB-6fhwA:
9.68
4koeC-6fhwA:
15.81
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 4 SER A1234
ARG A1232
GLY A1178
ASP A1206
 None
 0.95A 4koeA-6fn1A:
undetectable
4koeB-6fn1A:
undetectable
4koeC-6fn1A:
undetectable		 4koeA-6fn1A:
10.55
4koeB-6fn1A:
10.55
4koeC-6fn1A:
16.24
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.
6gne -

(-) 		no annotation 4 SER A 501
GLY A  42
ASP A  45
GLY A 415
 None
ADP  A 601 ( 3.2A)
ADP  A 601 (-3.4A)
ADP  A 601 ( 3.5A)
 0.86A 4koeA-6gneA:
undetectable
4koeB-6gneA:
undetectable
4koeC-6gneA:
2.6		 4koeA-6gneA:
undetectable
4koeB-6gneA:
undetectable
4koeC-6gneA:
undetectable