SIMILAR PATTERNS OF AMINO ACIDS FOR 5BTD_E_GFNE101

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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A  96
ARG A  68
GLY A  66
GLU A  65
 None
 0.73A 5btdA-1bqgA:
0.0
5btdB-1bqgA:
0.9
5btdC-1bqgA:
0.0		 5btdA-1bqgA:
23.27
5btdB-1bqgA:
21.19
5btdC-1bqgA:
23.27
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 ASP A 346
ARG A 349
GLY A 381
GLU A 380
 None
CBS  A1001 (-3.0A)
None
None
 0.81A 5btdA-1c7tA:
0.0
5btdB-1c7tA:
0.0
5btdC-1c7tA:
0.0		 5btdA-1c7tA:
21.29
5btdB-1c7tA:
15.47
5btdC-1c7tA:
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.
1it5 PHOSPHOLIPASE A2

(Streptomyces
violaceoruber) 		PF09056
(Phospholip_A2_3) 		4 ALA A  26
ASP A  39
ARG A  69
GLY A  67
 None
 0.85A 5btdA-1it5A:
0.0
5btdB-1it5A:
undetectable
5btdC-1it5A:
0.0		 5btdA-1it5A:
12.33
5btdB-1it5A:
17.86
5btdC-1it5A:
12.33
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ALA A 493
ASP A 695
GLY A 680
GLU A 709
 None
 0.97A 5btdA-1j0nA:
0.0
5btdB-1j0nA:
undetectable
5btdC-1j0nA:
0.0		 5btdA-1j0nA:
21.34
5btdB-1j0nA:
15.69
5btdC-1j0nA:
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.
1kwc 2,3-DIHYDROXYBIPHENY
L DIOXYGENASE

(Pseudomonas sp.
KKS102) 		PF00903
(Glyoxalase) 		4 ALA B  42
ARG B  97
GLY B  63
GLU B 114
 None
 0.99A 5btdA-1kwcB:
0.0
5btdB-1kwcB:
undetectable
5btdC-1kwcB:
undetectable		 5btdA-1kwcB:
19.76
5btdB-1kwcB:
22.05
5btdC-1kwcB:
19.76
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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 ALA A 231
ASP A 161
ARG A 221
GLU A 217
 None
 1.02A 5btdA-1nfgA:
0.0
5btdB-1nfgA:
undetectable
5btdC-1nfgA:
0.0		 5btdA-1nfgA:
22.41
5btdB-1nfgA:
22.74
5btdC-1nfgA:
22.41
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.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 ALA A 387
ASP A 183
GLY A 347
THR A  44
 None
PO4  A 401 ( 3.2A)
PO4  A 401 ( 3.9A)
None
 1.03A 5btdA-1pieA:
2.2
5btdB-1pieA:
undetectable
5btdC-1pieA:
2.2		 5btdA-1pieA:
24.86
5btdB-1pieA:
21.58
5btdC-1pieA:
24.86
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ALA A  92
GLY A 102
THR A 539
GLU A 541
 None
 1.02A 5btdA-1po0A:
0.0
5btdB-1po0A:
undetectable
5btdC-1po0A:
0.0		 5btdA-1po0A:
20.94
5btdB-1po0A:
17.14
5btdC-1po0A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ASP A  22
THR A 287
GLU A  15
ARG A 303
 None
 0.99A 5btdA-1up4A:
0.0
5btdB-1up4A:
1.7
5btdC-1up4A:
0.0		 5btdA-1up4A:
22.62
5btdB-1up4A:
19.72
5btdC-1up4A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vdc NADPH DEPENDENT
THIOREDOXIN
REDUCTASE

(Arabidopsis
thaliana) 		PF07992
(Pyr_redox_2) 		4 ARG A  69
GLY A  40
THR A  81
GLU A  35
 None
 0.70A 5btdA-1vdcA:
undetectable
5btdB-1vdcA:
0.3
5btdC-1vdcA:
undetectable		 5btdA-1vdcA:
20.90
5btdB-1vdcA:
22.16
5btdC-1vdcA:
20.90
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ALA A 168
ASP A 210
ARG A 207
GLY A 161
 None
 0.83A 5btdA-1wn1A:
undetectable
5btdB-1wn1A:
undetectable
5btdC-1wn1A:
undetectable		 5btdA-1wn1A:
24.71
5btdB-1wn1A:
22.99
5btdC-1wn1A:
24.71
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.
1xg2 PECTINESTERASE 1
PECTINESTERASE
INHIBITOR

(Actinidia
chinensis;
Solanum
lycopersicum) 		PF01095
(Pectinesterase)
PF04043
(PMEI) 		4 ALA A 136
ASP B 116
GLY B 110
GLU B 136
 None
 1.01A 5btdA-1xg2A:
undetectable
5btdB-1xg2A:
undetectable
5btdC-1xg2A:
undetectable		 5btdA-1xg2A:
21.27
5btdB-1xg2A:
24.11
5btdC-1xg2A:
21.27
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.
1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE

(Escherichia
virus T4) 		PF11440
(AGT) 		4 ALA A1062
ARG A1009
GLY A1010
GLU A1012
 None
None
None
CME  A1014 (-3.8A)
 0.86A 5btdA-1xv5A:
undetectable
5btdB-1xv5A:
undetectable
5btdC-1xv5A:
undetectable		 5btdA-1xv5A:
21.61
5btdB-1xv5A:
21.59
5btdC-1xv5A:
21.61
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.
1zlp PETAL DEATH PROTEIN

(Dianthus
caryophyllus) 		PF13714
(PEP_mutase) 		4 ALA A 203
ARG A 193
GLY A 191
GLU A 190
 None
 0.88A 5btdA-1zlpA:
undetectable
5btdB-1zlpA:
undetectable
5btdC-1zlpA:
undetectable		 5btdA-1zlpA:
22.69
5btdB-1zlpA:
22.45
5btdC-1zlpA:
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		4 ALA A  73
ASP A  91
ARG A  57
GLY A  64
 None
 0.78A 5btdA-1zwxA:
undetectable
5btdB-1zwxA:
undetectable
5btdC-1zwxA:
undetectable		 5btdA-1zwxA:
18.54
5btdB-1zwxA:
18.27
5btdC-1zwxA:
18.54
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.
2f6b FAMILY 11 XYLANASE

(Bacillus) 		PF00457
(Glyco_hydro_11) 		4 ALA A  72
ARG A  49
GLY A  51
GLU A 178
 None
 1.02A 5btdA-2f6bA:
undetectable
5btdB-2f6bA:
undetectable
5btdC-2f6bA:
undetectable		 5btdA-2f6bA:
15.56
5btdB-2f6bA:
19.01
5btdC-2f6bA:
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.
2fgq OUTER MEMBRANE PORIN
PROTEIN 32

(Delftia
acidovorans) 		PF13609
(Porin_4) 		4 ALA X 190
ASP X  93
ARG X  89
GLU X  87
 None
 0.98A 5btdA-2fgqX:
undetectable
5btdB-2fgqX:
undetectable
5btdC-2fgqX:
undetectable		 5btdA-2fgqX:
20.87
5btdB-2fgqX:
22.22
5btdC-2fgqX:
20.87
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.
2fwv HYPOTHETICAL PROTEIN
MTUBF_01000852

(Mycobacterium
tuberculosis) 		PF08768
(DUF1794) 		4 ARG A  89
GLY A  79
GLU A  78
ARG A  82
 None
 0.86A 5btdA-2fwvA:
undetectable
5btdB-2fwvA:
undetectable
5btdC-2fwvA:
undetectable		 5btdA-2fwvA:
19.28
5btdB-2fwvA:
25.00
5btdC-2fwvA:
19.28
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.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 ALA A 729
ASP A 911
ARG A 954
GLY A 951
 None
 0.93A 5btdA-2i1yA:
undetectable
5btdB-2i1yA:
2.2
5btdC-2i1yA:
undetectable		 5btdA-2i1yA:
21.97
5btdB-2i1yA:
24.55
5btdC-2i1yA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isn NYSGXRC-8828Z,
PHOSPHATASE

(Toxoplasma
gondii) 		PF00481
(PP2C) 		4 ALA A 185
ARG A 235
THR A 207
GLU A 208
 None
 0.70A 5btdA-2isnA:
undetectable
5btdB-2isnA:
undetectable
5btdC-2isnA:
undetectable		 5btdA-2isnA:
21.97
5btdB-2isnA:
21.86
5btdC-2isnA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		4 ALA A 103
ARG A 185
GLY A 182
GLU A 181
 None
 0.87A 5btdA-2o78A:
undetectable
5btdB-2o78A:
undetectable
5btdC-2o78A:
undetectable		 5btdA-2o78A:
26.07
5btdB-2o78A:
21.03
5btdC-2o78A:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r79 PERIPLASMIC BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF01497
(Peripla_BP_2) 		4 ALA A 196
ARG A 185
GLY A 184
GLU A 205
 None
 1.02A 5btdA-2r79A:
undetectable
5btdB-2r79A:
2.0
5btdC-2r79A:
undetectable		 5btdA-2r79A:
22.66
5btdB-2r79A:
23.03
5btdC-2r79A:
22.66
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.
2r7a BACTERIAL HEME
BINDING PROTEIN

(Shigella
dysenteriae) 		PF01497
(Peripla_BP_2) 		4 ALA A 190
ARG A 262
GLY A 260
GLU A  35
 None
 0.93A 5btdA-2r7aA:
undetectable
5btdB-2r7aA:
undetectable
5btdC-2r7aA:
undetectable		 5btdA-2r7aA:
19.37
5btdB-2r7aA:
21.19
5btdC-2r7aA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		4 ASP A 399
ARG A 432
GLU A 285
ARG A 350
 None
 0.97A 5btdA-2uvfA:
undetectable
5btdB-2uvfA:
undetectable
5btdC-2uvfA:
undetectable		 5btdA-2uvfA:
22.71
5btdB-2uvfA:
18.70
5btdC-2uvfA:
22.71
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		4 ALA A 170
ASP A 276
ARG A 104
GLY A 298
 None
 0.87A 5btdA-2wu8A:
undetectable
5btdB-2wu8A:
2.0
5btdC-2wu8A:
undetectable		 5btdA-2wu8A:
24.22
5btdB-2wu8A:
19.21
5btdC-2wu8A:
24.22
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ASP A 644
GLY A 600
GLU A 588
ARG A 351
 CA  A 800 ( 2.8A)
None
None
None
 1.00A 5btdA-2wzsA:
undetectable
5btdB-2wzsA:
undetectable
5btdC-2wzsA:
undetectable		 5btdA-2wzsA:
20.13
5btdB-2wzsA:
16.74
5btdC-2wzsA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x24 ACETYL-COA
CARBOXYLASE

(Bos taurus) 		PF01039
(Carboxyl_trans) 		4 ALA A 522
ASP A 369
ARG A 371
GLU A 398
 None
 0.94A 5btdA-2x24A:
undetectable
5btdB-2x24A:
undetectable
5btdC-2x24A:
undetectable		 5btdA-2x24A:
22.99
5btdB-2x24A:
16.22
5btdC-2x24A:
22.99
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.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 ARG A 218
GLY A 217
THR A  98
GLU A 215
 None
 0.81A 5btdA-2yijA:
undetectable
5btdB-2yijA:
undetectable
5btdC-2yijA:
undetectable		 5btdA-2yijA:
22.20
5btdB-2yijA:
20.43
5btdC-2yijA:
22.20
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.
2yyz SUGAR ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		4 ALA A  85
ARG A 141
GLU A 175
ARG A 146
 None
SO4  A1002 (-2.7A)
None
None
 0.94A 5btdA-2yyzA:
undetectable
5btdB-2yyzA:
undetectable
5btdC-2yyzA:
undetectable		 5btdA-2yyzA:
22.49
5btdB-2yyzA:
21.67
5btdC-2yyzA:
22.49
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.
3ab0 ANTIBODY SCFV
FRAGMENT, LIGHT
CHAIN
BCLA PROTEIN

(Bacillus
anthracis;
Mus musculus) 		PF07686
(V-set)
no annotation 		4 ALA C  26
GLY A 157
THR A 125
GLU A 190
 None
 0.64A 5btdA-3ab0C:
undetectable
5btdB-3ab0C:
undetectable
5btdC-3ab0C:
undetectable		 5btdA-3ab0C:
13.29
5btdB-3ab0C:
14.23
5btdC-3ab0C:
13.29
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.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		4 ALA A 713
ARG A 707
GLY A 708
GLU A 550
 None
 0.88A 5btdA-3bdlA:
undetectable
5btdB-3bdlA:
undetectable
5btdC-3bdlA:
undetectable		 5btdA-3bdlA:
22.04
5btdB-3bdlA:
21.25
5btdC-3bdlA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3n DIHYDROOROTATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF01180
(DHO_dh) 		4 ALA A  14
ARG A 286
GLY A 282
GLU A 279
 ALA  A  14 ( 0.0A)
ARG  A 286 ( 0.6A)
GLY  A 282 ( 0.0A)
GLU  A 279 ( 0.5A)
 0.88A 5btdA-3c3nA:
undetectable
5btdB-3c3nA:
undetectable
5btdC-3c3nA:
undetectable		 5btdA-3c3nA:
20.95
5btdB-3c3nA:
21.00
5btdC-3c3nA:
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.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		4 ALA A  36
ASP A  52
GLY A  79
GLU A  78
 None
 0.77A 5btdA-3c85A:
undetectable
5btdB-3c85A:
2.7
5btdC-3c85A:
undetectable		 5btdA-3c85A:
17.52
5btdB-3c85A:
23.64
5btdC-3c85A:
17.52
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		4 ALA A 124
ASP A  89
ARG A  91
GLU A 113
 None
 0.78A 5btdA-3ccfA:
undetectable
5btdB-3ccfA:
undetectable
5btdC-3ccfA:
undetectable		 5btdA-3ccfA:
20.55
5btdB-3ccfA:
22.64
5btdC-3ccfA:
20.55
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.
3d8x THIOREDOXIN
REDUCTASE 1

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		4 ARG A  72
GLY A  43
THR A  84
GLU A  33
 None
 0.82A 5btdA-3d8xA:
undetectable
5btdB-3d8xA:
undetectable
5btdC-3d8xA:
undetectable		 5btdA-3d8xA:
23.13
5btdB-3d8xA:
23.60
5btdC-3d8xA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ALA A 227
ARG A 378
GLY A 376
GLU A  85
 None
 0.74A 5btdA-3da1A:
undetectable
5btdB-3da1A:
undetectable
5btdC-3da1A:
undetectable		 5btdA-3da1A:
23.91
5btdB-3da1A:
19.35
5btdC-3da1A:
23.91
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.
3dip ENOLASE

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A  97
GLY A 299
THR A 275
GLU A 302
 None
 0.89A 5btdA-3dipA:
undetectable
5btdB-3dipA:
undetectable
5btdC-3dipA:
undetectable		 5btdA-3dipA:
24.46
5btdB-3dipA:
25.74
5btdC-3dipA:
24.46
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.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 ALA A  91
ARG A  84
GLY A  83
GLU A 111
 None
SO4  A4637 (-3.8A)
SAM  A4633 (-3.4A)
None
 0.95A 5btdA-3eluA:
undetectable
5btdB-3eluA:
undetectable
5btdC-3eluA:
undetectable		 5btdA-3eluA:
20.16
5btdB-3eluA:
21.26
5btdC-3eluA:
20.16
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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		4 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.74A 5btdA-3epmA:
undetectable
5btdB-3epmA:
1.9
5btdC-3epmA:
undetectable		 5btdA-3epmA:
22.77
5btdB-3epmA:
18.31
5btdC-3epmA:
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.
3g2e OORC SUBUNIT OF
2-OXOGLUTARATE:ACCEP
TOR OXIDOREDUCTASE

(Campylobacter
jejuni) 		PF01558
(POR) 		4 ASP A  56
ARG A  31
GLY A  30
GLU A  29
 None
 0.83A 5btdA-3g2eA:
undetectable
5btdB-3g2eA:
undetectable
5btdC-3g2eA:
undetectable		 5btdA-3g2eA:
17.82
5btdB-3g2eA:
21.79
5btdC-3g2eA:
17.82
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		4 ALA A  91
ARG A  84
GLY A  83
GLU A 111
 None
SO4  A 268 (-3.4A)
SAM  A4633 (-3.4A)
None
 0.96A 5btdA-3gczA:
undetectable
5btdB-3gczA:
undetectable
5btdC-3gczA:
undetectable		 5btdA-3gczA:
19.09
5btdB-3gczA:
23.24
5btdC-3gczA:
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.
3gxv REPLICATIVE DNA
HELICASE

(Helicobacter
pylori) 		PF00772
(DnaB) 		4 ALA A 104
GLY A  46
GLU A  50
ARG A 108
 None
 0.90A 5btdA-3gxvA:
undetectable
5btdB-3gxvA:
undetectable
5btdC-3gxvA:
undetectable		 5btdA-3gxvA:
13.50
5btdB-3gxvA:
19.60
5btdC-3gxvA:
13.50
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.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe) 		PF08389
(Xpo1) 		4 ALA T 438
ASP T 421
GLY T 469
GLU T 470
 None
None
None
G  D  51 ( 4.2A)
 0.94A 5btdA-3icqT:
undetectable
5btdB-3icqT:
undetectable
5btdC-3icqT:
undetectable		 5btdA-3icqT:
19.18
5btdB-3icqT:
13.38
5btdC-3icqT:
19.18
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 ALA A  82
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.99A 5btdA-3ie1A:
undetectable
5btdB-3ie1A:
undetectable
5btdC-3ie1A:
undetectable		 5btdA-3ie1A:
22.93
5btdB-3ie1A:
21.09
5btdC-3ie1A:
22.93
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.
3l44 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		4 ALA A  62
GLY A 333
GLU A 337
ARG A 249
 None
 1.01A 5btdA-3l44A:
undetectable
5btdB-3l44A:
undetectable
5btdC-3l44A:
undetectable		 5btdA-3l44A:
23.60
5btdB-3l44A:
21.43
5btdC-3l44A:
23.60
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.
3m4p ASPARAGINYL-TRNA
SYNTHETASE, PUTATIVE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ALA A 300
ASP A 332
ARG A 328
GLY A 373
 None
 1.01A 5btdA-3m4pA:
1.0
5btdB-3m4pA:
undetectable
5btdC-3m4pA:
1.4		 5btdA-3m4pA:
19.22
5btdB-3m4pA:
17.97
5btdC-3m4pA:
19.22
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.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 ASP A 653
ARG A 687
GLY A 685
GLU A 187
 None
 0.86A 5btdA-3nzuA:
1.5
5btdB-3nzuA:
undetectable
5btdC-3nzuA:
1.6		 5btdA-3nzuA:
19.26
5btdB-3nzuA:
13.96
5btdC-3nzuA:
19.26
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.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		4 ALA A  90
ARG A  62
GLY A  60
GLU A  59
 None
 0.79A 5btdA-3p0wA:
undetectable
5btdB-3p0wA:
undetectable
5btdC-3p0wA:
undetectable		 5btdA-3p0wA:
23.40
5btdB-3p0wA:
21.96
5btdC-3p0wA:
23.40
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.
3p13 D-RIBOSE PYRANASE

(Staphylococcus
aureus) 		PF05025
(RbsD_FucU) 		4 ARG A  52
GLY A 120
THR A 123
GLU A 121
 None
 0.90A 5btdA-3p13A:
undetectable
5btdB-3p13A:
undetectable
5btdC-3p13A:
undetectable		 5btdA-3p13A:
14.83
5btdB-3p13A:
21.26
5btdC-3p13A:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		4 ALA A 387
ASP A 198
ARG A 410
GLU A  68
 None
 0.78A 5btdA-3qtgA:
undetectable
5btdB-3qtgA:
undetectable
5btdC-3qtgA:
undetectable		 5btdA-3qtgA:
21.96
5btdB-3qtgA:
19.53
5btdC-3qtgA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 ASP A 476
ARG A 472
GLY A 469
ARG A 450
 None
 0.87A 5btdA-3qxmA:
undetectable
5btdB-3qxmA:
undetectable
5btdC-3qxmA:
undetectable		 5btdA-3qxmA:
22.01
5btdB-3qxmA:
25.25
5btdC-3qxmA:
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.
3rxy NIF3 PROTEIN

(Sphaerobacter
thermophilus) 		no annotation 4 ALA A 167
ARG A 141
GLY A 140
GLU A 138
 None
 0.78A 5btdA-3rxyA:
undetectable
5btdB-3rxyA:
undetectable
5btdC-3rxyA:
undetectable		 5btdA-3rxyA:
20.68
5btdB-3rxyA:
23.73
5btdC-3rxyA:
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		4 ALA A 233
ASP A 163
ARG A 223
GLU A 219
 None
 0.92A 5btdA-3sfwA:
undetectable
5btdB-3sfwA:
undetectable
5btdC-3sfwA:
undetectable		 5btdA-3sfwA:
21.78
5btdB-3sfwA:
21.47
5btdC-3sfwA:
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ALA A  46
ASP A  93
ARG A 307
GLU A 304
 None
 0.96A 5btdA-3u95A:
undetectable
5btdB-3u95A:
0.9
5btdC-3u95A:
undetectable		 5btdA-3u95A:
23.29
5btdB-3u95A:
19.74
5btdC-3u95A:
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 ALA A 344
ARG A 320
GLY A  19
GLU A 109
 None
None
NA  A1212 ( 4.6A)
None
 0.87A 5btdA-3w5nA:
undetectable
5btdB-3w5nA:
undetectable
5btdC-3w5nA:
undetectable		 5btdA-3w5nA:
20.89
5btdB-3w5nA:
13.54
5btdC-3w5nA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x2z UPF0173
METAL-DEPENDENT
HYDROLASE TM_1162

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		4 ALA A 177
ASP A 141
GLY A 165
THR A 193
 None
NI  A 302 ( 2.5A)
None
None
 1.01A 5btdA-3x2zA:
undetectable
5btdB-3x2zA:
undetectable
5btdC-3x2zA:
undetectable		 5btdA-3x2zA:
18.84
5btdB-3x2zA:
21.69
5btdC-3x2zA:
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.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger) 		PF01593
(Amino_oxidase) 		4 ALA A  61
ARG A 476
GLY A 474
GLU A 473
 None
 1.00A 5btdA-3zdnA:
undetectable
5btdB-3zdnA:
undetectable
5btdC-3zdnA:
undetectable		 5btdA-3zdnA:
23.67
5btdB-3zdnA:
20.04
5btdC-3zdnA:
23.67
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ALA A 186
ASP A 527
GLY A 511
GLU A 514
 None
 0.97A 5btdA-4a01A:
0.6
5btdB-4a01A:
undetectable
5btdC-4a01A:
0.7		 5btdA-4a01A:
21.54
5btdB-4a01A:
15.78
5btdC-4a01A:
21.54
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 4 ARG A 319
GLY A 271
THR A 298
GLU A 292
 None
 0.82A 5btdA-4a7kA:
undetectable
5btdB-4a7kA:
undetectable
5btdC-4a7kA:
undetectable		 5btdA-4a7kA:
20.49
5btdB-4a7kA:
16.46
5btdC-4a7kA:
20.49
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 ALA A2123
ASP A1970
ARG A1972
GLU A1999
 None
 0.99A 5btdA-4asiA:
undetectable
5btdB-4asiA:
undetectable
5btdC-4asiA:
undetectable		 5btdA-4asiA:
21.83
5btdB-4asiA:
16.39
5btdC-4asiA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		4 ALA A 288
ASP A 250
ARG A 253
GLY A 256
 None
 0.96A 5btdA-4aweA:
undetectable
5btdB-4aweA:
undetectable
5btdC-4aweA:
undetectable		 5btdA-4aweA:
21.04
5btdB-4aweA:
22.25
5btdC-4aweA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ALA A 112
ARG A  31
GLY A  32
GLU A 140
 None
 0.95A 5btdA-4fquA:
undetectable
5btdB-4fquA:
undetectable
5btdC-4fquA:
undetectable		 5btdA-4fquA:
21.67
5btdB-4fquA:
21.69
5btdC-4fquA:
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.
4glt GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Methylobacillus
flagellatus) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ALA A 158
ASP A 140
ARG A 136
GLY A 133
 None
 0.91A 5btdA-4gltA:
undetectable
5btdB-4gltA:
undetectable
5btdC-4gltA:
undetectable		 5btdA-4gltA:
18.27
5btdB-4gltA:
21.37
5btdC-4gltA:
18.27
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.
4ibn RIBONUCLEASE H

(uncultured
organism) 		PF00075
(RNase_H) 		4 ALA A 162
ARG A  55
GLY A 179
GLU A 181
 None
 0.91A 5btdA-4ibnA:
undetectable
5btdB-4ibnA:
undetectable
5btdC-4ibnA:
undetectable		 5btdA-4ibnA:
18.93
5btdB-4ibnA:
24.23
5btdC-4ibnA:
18.93
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		4 ARG A 244
GLY A 246
THR A 277
GLU A 247
 None
 0.89A 5btdA-4kzkA:
undetectable
5btdB-4kzkA:
4.0
5btdC-4kzkA:
undetectable		 5btdA-4kzkA:
20.23
5btdB-4kzkA:
22.65
5btdC-4kzkA:
20.23
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		4 ALA A 275
ARG A  24
GLY A  22
GLU A  21
 None
 0.84A 5btdA-4mptA:
undetectable
5btdB-4mptA:
4.0
5btdC-4mptA:
undetectable		 5btdA-4mptA:
23.50
5btdB-4mptA:
22.37
5btdC-4mptA:
23.50
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.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		4 ALA A 221
ASP A 148
ARG A 301
GLY A 236
 None
CA  A 401 (-3.7A)
None
None
 0.86A 5btdA-4o6mA:
undetectable
5btdB-4o6mA:
undetectable
5btdC-4o6mA:
undetectable		 5btdA-4o6mA:
20.70
5btdB-4o6mA:
21.88
5btdC-4o6mA:
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.
4oud TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		4 ALA B  49
ARG B 309
GLY B 313
GLU B 314
 ALA  B  49 ( 0.0A)
ARG  B 309 ( 0.6A)
GLY  B 313 ( 0.0A)
GLU  B 314 ( 0.5A)
 0.96A 5btdA-4oudB:
undetectable
5btdB-4oudB:
3.0
5btdC-4oudB:
undetectable		 5btdA-4oudB:
22.39
5btdB-4oudB:
22.14
5btdC-4oudB:
22.39
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.
4p98 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Conexibacter
woesei) 		PF02608
(Bmp) 		4 ALA A  56
ASP A 284
ARG A 282
THR A 278
 None
 0.98A 5btdA-4p98A:
undetectable
5btdB-4p98A:
undetectable
5btdC-4p98A:
undetectable		 5btdA-4p98A:
22.29
5btdB-4p98A:
24.09
5btdC-4p98A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 ALA B 532
ASP B 475
GLY B 469
GLU B 468
 None
 0.91A 5btdA-4r3zB:
2.2
5btdB-4r3zB:
undetectable
5btdC-4r3zB:
2.1		 5btdA-4r3zB:
23.55
5btdB-4r3zB:
18.45
5btdC-4r3zB:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ALA A 384
ASP A  95
GLY A  91
GLU A  89
 None
 0.88A 5btdA-4rvwA:
undetectable
5btdB-4rvwA:
undetectable
5btdC-4rvwA:
undetectable		 5btdA-4rvwA:
21.56
5btdB-4rvwA:
16.64
5btdC-4rvwA:
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.
4s3k SPORE GERMINATION
PROTEIN YAAH

(Bacillus
megaterium) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		4 ALA A 230
ARG A 185
GLY A 184
GLU A 182
 None
 0.96A 5btdA-4s3kA:
undetectable
5btdB-4s3kA:
1.7
5btdC-4s3kA:
undetectable		 5btdA-4s3kA:
22.14
5btdB-4s3kA:
23.40
5btdC-4s3kA:
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A 188
GLY A 187
GLU A 186
ARG A  11
 None
GOL  A 404 ( 3.7A)
None
None
 0.99A 5btdA-4ubtA:
undetectable
5btdB-4ubtA:
undetectable
5btdC-4ubtA:
undetectable		 5btdA-4ubtA:
23.46
5btdB-4ubtA:
21.17
5btdC-4ubtA:
23.46
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.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		4 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.82A 5btdA-4up3A:
undetectable
5btdB-4up3A:
undetectable
5btdC-4up3A:
undetectable		 5btdA-4up3A:
21.63
5btdB-4up3A:
20.37
5btdC-4up3A:
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.
4wfs TRNA-DIHYDROURIDINE(
20) SYNTHASE
[NAD(P)+]-LIKE

(Homo sapiens) 		PF01207
(Dus) 		4 ALA A 181
ARG A  28
THR A  76
GLU A  80
 None
 0.93A 5btdA-4wfsA:
undetectable
5btdB-4wfsA:
undetectable
5btdC-4wfsA:
undetectable		 5btdA-4wfsA:
21.24
5btdB-4wfsA:
23.14
5btdC-4wfsA:
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ALA A 230
ASP A 343
GLY A 340
GLU A 184
 None
 0.95A 5btdA-4yrpA:
1.1
5btdB-4yrpA:
undetectable
5btdC-4yrpA:
1.3		 5btdA-4yrpA:
22.02
5btdB-4yrpA:
22.25
5btdC-4yrpA:
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.
5cxo EPOXIDE HYDROLASE

(Streptomyces
albus) 		PF12680
(SnoaL_2) 		4 ALA A  72
ASP A 115
GLY A 112
GLU A 111
 None
 0.95A 5btdA-5cxoA:
undetectable
5btdB-5cxoA:
undetectable
5btdC-5cxoA:
undetectable		 5btdA-5cxoA:
14.81
5btdB-5cxoA:
20.16
5btdC-5cxoA:
14.81
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.
5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		4 ALA D 213
ASP D  14
GLY D 228
GLU D 111
 None
 0.91A 5btdA-5disD:
undetectable
5btdB-5disD:
undetectable
5btdC-5disD:
undetectable		 5btdA-5disD:
21.10
5btdB-5disD:
20.21
5btdC-5disD:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5u BETA-HEXOSAMINIDASE

(Pseudomonas
aeruginosa) 		PF00933
(Glyco_hydro_3) 		4 ALA A 144
ASP A 191
GLY A 135
GLU A 134
 None
 0.95A 5btdA-5g5uA:
undetectable
5btdB-5g5uA:
undetectable
5btdC-5g5uA:
0.7		 5btdA-5g5uA:
23.02
5btdB-5g5uA:
23.30
5btdC-5g5uA:
23.02
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.
5ie2 OXALATE--COA LIGASE

(Arabidopsis
thaliana) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ALA A 383
ASP A 394
ARG A 409
GLU A 412
 None
ATP  A 601 (-2.9A)
ATP  A 601 (-3.1A)
None
 0.87A 5btdA-5ie2A:
2.7
5btdB-5ie2A:
undetectable
5btdC-5ie2A:
3.3		 5btdA-5ie2A:
22.16
5btdB-5ie2A:
19.85
5btdC-5ie2A:
22.16
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ALA A 205
ARG A 407
GLY A 408
GLU A 385
 None
 0.87A 5btdA-5keiA:
2.2
5btdB-5keiA:
undetectable
5btdC-5keiA:
undetectable		 5btdA-5keiA:
23.40
5btdB-5keiA:
20.99
5btdC-5keiA:
23.40
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.
5m6u PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		4 ALA A 885
ASP A 807
ARG A 809
GLU A 874
 None
 0.74A 5btdA-5m6uA:
1.1
5btdB-5m6uA:
undetectable
5btdC-5m6uA:
undetectable		 5btdA-5m6uA:
19.53
5btdB-5m6uA:
13.82
5btdC-5m6uA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ALA A1338
ARG A1370
GLY A1385
THR A1363
 None
 0.80A 5btdA-5ngyA:
undetectable
5btdB-5ngyA:
undetectable
5btdC-5ngyA:
undetectable		 5btdA-5ngyA:
17.87
5btdB-5ngyA:
12.22
5btdC-5ngyA:
17.87
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 4 ALA A  91
ARG A  84
GLY A  83
GLU A 111
 None
None
SAH  A1001 (-3.4A)
None
 0.92A 5btdA-5njuA:
undetectable
5btdB-5njuA:
undetectable
5btdC-5njuA:
undetectable		 5btdA-5njuA:
9.74
5btdB-5njuA:
18.41
5btdC-5njuA:
9.74
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.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		4 ALA A 109
GLY A 280
THR A 288
ARG A 113
 None
 0.80A 5btdA-5t13A:
undetectable
5btdB-5t13A:
undetectable
5btdC-5t13A:
undetectable		 5btdA-5t13A:
22.99
5btdB-5t13A:
22.89
5btdC-5t13A:
22.99
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00384
(Molybdopterin)
PF01493
(GXGXG) 		4 ALA C 254
ASP B 267
ARG B 264
GLU C 161
 None
 1.02A 5btdA-5t5iC:
undetectable
5btdB-5t5iC:
undetectable
5btdC-5t5iC:
undetectable		 5btdA-5t5iC:
20.75
5btdB-5t5iC:
21.25
5btdC-5t5iC:
20.75
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.
5u1h OUTER MEMBRANE PORIN
F

(Pseudomonas
aeruginosa) 		PF00691
(OmpA) 		4 ALA A  67
ARG A  84
GLY A  82
GLU A  81
 None
 0.91A 5btdA-5u1hA:
undetectable
5btdB-5u1hA:
2.8
5btdC-5u1hA:
undetectable		 5btdA-5u1hA:
15.37
5btdB-5u1hA:
20.70
5btdC-5u1hA:
15.37
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.
5ub8 LIKELY RAB FAMILY
GTP-BINDING PROTEIN

(Candida
albicans) 		PF00071
(Ras) 		4 ALA A 157
ASP A  70
GLY A  22
GLU A  75
 None
ZN  A 302 ( 3.9A)
None
GDP  A 301 ( 4.8A)
 0.84A 5btdA-5ub8A:
undetectable
5btdB-5ub8A:
3.6
5btdC-5ub8A:
undetectable		 5btdA-5ub8A:
19.14
5btdB-5ub8A:
21.19
5btdC-5ub8A:
19.14
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY1
CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09611
(Cas_Csy1)
PF09614
(Cas_Csy2) 		4 ALA A  95
ARG B 189
GLY B 287
GLU B 288
 None
 0.98A 5btdA-5uz9A:
undetectable
5btdB-5uz9A:
undetectable
5btdC-5uz9A:
undetectable		 5btdA-5uz9A:
23.75
5btdB-5uz9A:
19.82
5btdC-5uz9A:
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 ALA B 207
ARG B 189
GLY B 287
GLU B 288
 None
 1.00A 5btdA-5uz9B:
1.8
5btdB-5uz9B:
undetectable
5btdC-5uz9B:
undetectable		 5btdA-5uz9B:
21.59
5btdB-5uz9B:
23.82
5btdC-5uz9B:
21.59
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.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 ASP A 392
ARG A 395
GLY A 455
THR A 462
 None
 0.95A 5btdA-5v7iA:
undetectable
5btdB-5v7iA:
undetectable
5btdC-5v7iA:
undetectable		 5btdA-5v7iA:
22.87
5btdB-5v7iA:
22.17
5btdC-5v7iA:
22.87
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.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 4 ARG A  99
GLY A  70
THR A 111
GLU A  60
 None
FAD  A 401 ( 4.5A)
None
None
 0.86A 5btdA-5w4cA:
undetectable
5btdB-5w4cA:
undetectable
5btdC-5w4cA:
undetectable		 5btdA-5w4cA:
10.38
5btdB-5w4cA:
15.26
5btdC-5w4cA:
10.38
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		4 ALA A 193
ARG A 221
THR A 248
GLU A 250
 None
 0.82A 5btdA-5w70A:
0.8
5btdB-5w70A:
undetectable
5btdC-5w70A:
1.0		 5btdA-5w70A:
23.70
5btdB-5w70A:
20.76
5btdC-5w70A:
23.70
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.
5xev XAA-PRO
DIPEPTIDASE,PEPTIDAS
E-RELATED PROTEIN

(Deinococcus
radiodurans) 		no annotation 4 ALA A 139
ARG A 295
GLY A 294
GLU A 291
 None
 0.89A 5btdA-5xevA:
undetectable
5btdB-5xevA:
undetectable
5btdC-5xevA:
undetectable		 5btdA-5xevA:
23.96
5btdB-5xevA:
21.84
5btdC-5xevA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 4 ALA A 144
ARG A 160
GLY A 161
GLU A 249
 None
 0.96A 5btdA-5yapA:
undetectable
5btdB-5yapA:
undetectable
5btdC-5yapA:
undetectable		 5btdA-5yapA:
11.86
5btdB-5yapA:
17.99
5btdC-5yapA:
11.86
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.
5z95 -

(-) 		no annotation 4 ALA A 102
ARG A 229
GLY A 225
GLU A 226
 None
 0.65A 5btdA-5z95A:
undetectable
5btdB-5z95A:
3.0
5btdC-5z95A:
undetectable		 5btdA-5z95A:
undetectable
5btdB-5z95A:
undetectable
5btdC-5z95A:
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.
5zvs VP2

(Aquareovirus C) 		no annotation 4 ALA 2 658
ASP 2 635
ARG 2 637
GLY 2 412
 None
 0.87A 5btdA-5zvs2:
undetectable
5btdB-5zvs2:
undetectable
5btdC-5zvs2:
undetectable		 5btdA-5zvs2:
9.13
5btdB-5zvs2:
15.81
5btdC-5zvs2:
9.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c33 5'-3' EXONUCLEASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ALA A 256
ARG A 203
GLY A 217
GLU A 218
 None
 0.96A 5btdA-6c33A:
undetectable
5btdB-6c33A:
undetectable
5btdC-6c33A:
undetectable		 5btdA-6c33A:
11.42
5btdB-6c33A:
15.02
5btdC-6c33A:
11.42
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.
6fhm -

(-) 		no annotation 4 ALA A 142
ASP A 100
ARG A  95
GLU A  47
 None
 0.86A 5btdA-6fhmA:
undetectable
5btdB-6fhmA:
undetectable
5btdC-6fhmA:
undetectable		 5btdA-6fhmA:
undetectable
5btdB-6fhmA:
undetectable
5btdC-6fhmA:
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ALA A 367
ARG A 223
GLY A 470
GLU A 227
 None
 0.94A 5btdA-6fhwA:
undetectable
5btdB-6fhwA:
undetectable
5btdC-6fhwA:
undetectable		 5btdA-6fhwA:
15.97
5btdB-6fhwA:
14.23
5btdC-6fhwA:
15.97