SIMILAR PATTERNS OF AMINO ACIDS FOR 5BS8_H_MFXH101_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.
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
 0.67A 5bs8A-1bqgA:
0.0
5bs8B-1bqgA:
0.9
5bs8C-1bqgA:
0.0		 5bs8A-1bqgA:
23.27
5bs8B-1bqgA:
21.19
5bs8C-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 5bs8A-1c7tA:
undetectable
5bs8B-1c7tA:
undetectable
5bs8C-1c7tA:
0.0		 5bs8A-1c7tA:
21.29
5bs8B-1c7tA:
15.47
5bs8C-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.
1exc PROTEIN MAF

(Bacillus
subtilis) 		PF02545
(Maf) 		4 ALA A 125
GLY A 151
THR A 140
GLU A 142
 None
 0.98A 5bs8A-1excA:
0.0
5bs8B-1excA:
undetectable
5bs8C-1excA:
0.0		 5bs8A-1excA:
15.57
5bs8B-1excA:
22.73
5bs8C-1excA:
15.57
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.
1f2d 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Cyberlindnera
saturnus) 		PF00291
(PALP) 		4 ALA A 242
ASP A 221
ARG A 218
GLY A 217
 None
 1.01A 5bs8A-1f2dA:
0.0
5bs8B-1f2dA:
undetectable
5bs8C-1f2dA:
0.0		 5bs8A-1f2dA:
21.16
5bs8B-1f2dA:
23.62
5bs8C-1f2dA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1he3 BILIVERDIN IX BETA
REDUCTASE

(Homo sapiens) 		PF13460
(NAD_binding_10) 		4 ALA A   7
ASP A  54
GLY A  90
THR A  84
 None
NAP  A1206 (-3.2A)
None
None
 0.95A 5bs8A-1he3A:
0.0
5bs8B-1he3A:
2.7
5bs8C-1he3A:
0.0		 5bs8A-1he3A:
19.33
5bs8B-1he3A:
21.88
5bs8C-1he3A:
19.33
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
 0.99A 5bs8A-1j0nA:
undetectable
5bs8B-1j0nA:
undetectable
5bs8C-1j0nA:
undetectable		 5bs8A-1j0nA:
21.34
5bs8B-1j0nA:
15.69
5bs8C-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
 1.00A 5bs8A-1kwcB:
0.0
5bs8B-1kwcB:
undetectable
5bs8C-1kwcB:
undetectable		 5bs8A-1kwcB:
19.76
5bs8B-1kwcB:
22.05
5bs8C-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
 1.03A 5bs8A-1nfgA:
undetectable
5bs8B-1nfgA:
undetectable
5bs8C-1nfgA:
undetectable		 5bs8A-1nfgA:
22.41
5bs8B-1nfgA:
22.74
5bs8C-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 5bs8A-1pieA:
2.3
5bs8B-1pieA:
undetectable
5bs8C-1pieA:
2.2		 5bs8A-1pieA:
24.86
5bs8B-1pieA:
21.58
5bs8C-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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ALA A 275
ARG A 184
GLY A 181
THR A 178
 None
 1.02A 5bs8A-1rw9A:
undetectable
5bs8B-1rw9A:
undetectable
5bs8C-1rw9A:
undetectable		 5bs8A-1rw9A:
22.22
5bs8B-1rw9A:
17.95
5bs8C-1rw9A:
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.
1s6i CALCIUM-DEPENDENT
PROTEIN KINASE SK5

(Glycine max) 		PF13499
(EF-hand_7) 		4 ALA A 165
ASP A  92
GLY A 136
GLU A 137
 None
None
None
CA  A 192 (-2.5A)
 0.78A 5bs8A-1s6iA:
undetectable
5bs8B-1s6iA:
undetectable
5bs8C-1s6iA:
undetectable		 5bs8A-1s6iA:
15.19
5bs8B-1s6iA:
21.15
5bs8C-1s6iA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sxd GA REPEAT BINDING
PROTEIN, ALPHA

(Mus musculus) 		PF02198
(SAM_PNT) 		4 ALA A 253
ARG A 220
GLY A 219
GLU A 221
 None
 0.79A 5bs8A-1sxdA:
undetectable
5bs8B-1sxdA:
undetectable
5bs8C-1sxdA:
undetectable		 5bs8A-1sxdA:
9.72
5bs8B-1sxdA:
17.92
5bs8C-1sxdA:
9.72
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.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		4 ALA A  49
ARG A  67
GLY A  70
THR A  74
 None
None
FAD  A 488 (-2.8A)
None
 0.91A 5bs8A-1tdkA:
undetectable
5bs8B-1tdkA:
undetectable
5bs8C-1tdkA:
undetectable		 5bs8A-1tdkA:
23.45
5bs8B-1tdkA:
20.45
5bs8C-1tdkA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.00A 5bs8A-1up4A:
undetectable
5bs8B-1up4A:
0.8
5bs8C-1up4A:
undetectable		 5bs8A-1up4A:
22.62
5bs8B-1up4A:
19.72
5bs8C-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
 0.71A 5bs8A-1vdcA:
undetectable
5bs8B-1vdcA:
undetectable
5bs8C-1vdcA:
undetectable		 5bs8A-1vdcA:
20.90
5bs8B-1vdcA:
22.16
5bs8C-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
 0.81A 5bs8A-1wn1A:
undetectable
5bs8B-1wn1A:
undetectable
5bs8C-1wn1A:
undetectable		 5bs8A-1wn1A:
24.71
5bs8B-1wn1A:
22.99
5bs8C-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.
1z0a RAS-RELATED PROTEIN
RAB-2A

(Homo sapiens) 		PF00071
(Ras) 		4 ALA A 159
ASP A  61
GLY A  13
GLU A  66
 None
MG  A1201 (-3.0A)
None
GDP  A1200 ( 4.8A)
 0.99A 5bs8A-1z0aA:
undetectable
5bs8B-1z0aA:
3.9
5bs8C-1z0aA:
undetectable		 5bs8A-1z0aA:
14.51
5bs8B-1z0aA:
24.80
5bs8C-1z0aA:
14.51
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		4 ALA A  73
ASP A  91
ARG A  57
GLY A  64
 None
 0.79A 5bs8A-1zwxA:
undetectable
5bs8B-1zwxA:
undetectable
5bs8C-1zwxA:
undetectable		 5bs8A-1zwxA:
18.54
5bs8B-1zwxA:
18.27
5bs8C-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.
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
 0.96A 5bs8A-2fgqX:
undetectable
5bs8B-2fgqX:
undetectable
5bs8C-2fgqX:
undetectable		 5bs8A-2fgqX:
20.87
5bs8B-2fgqX:
22.22
5bs8C-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
 0.83A 5bs8A-2fwvA:
undetectable
5bs8B-2fwvA:
undetectable
5bs8C-2fwvA:
undetectable		 5bs8A-2fwvA:
19.28
5bs8B-2fwvA:
25.00
5bs8C-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.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ALA A 305
GLY A 208
THR A 185
GLU A 204
 None
 0.97A 5bs8A-2gepA:
2.3
5bs8B-2gepA:
undetectable
5bs8C-2gepA:
3.2		 5bs8A-2gepA:
24.60
5bs8B-2gepA:
18.89
5bs8C-2gepA:
24.60
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.
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
 0.94A 5bs8A-2i1yA:
undetectable
5bs8B-2i1yA:
undetectable
5bs8C-2i1yA:
undetectable		 5bs8A-2i1yA:
21.97
5bs8B-2i1yA:
24.55
5bs8C-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.
2ome C-TERMINAL-BINDING
PROTEIN 2

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ALA A  79
ASP A 112
GLY A 117
GLU A 360
 None
 0.95A 5bs8A-2omeA:
undetectable
5bs8B-2omeA:
undetectable
5bs8C-2omeA:
undetectable		 5bs8A-2omeA:
22.51
5bs8B-2omeA:
23.16
5bs8C-2omeA:
22.51
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.
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
 0.96A 5bs8A-2r7aA:
undetectable
5bs8B-2r7aA:
undetectable
5bs8C-2r7aA:
undetectable		 5bs8A-2r7aA:
19.37
5bs8B-2r7aA:
21.19
5bs8C-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
 0.98A 5bs8A-2uvfA:
undetectable
5bs8B-2uvfA:
undetectable
5bs8C-2uvfA:
undetectable		 5bs8A-2uvfA:
22.71
5bs8B-2uvfA:
18.70
5bs8C-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
 0.85A 5bs8A-2wu8A:
undetectable
5bs8B-2wu8A:
2.1
5bs8C-2wu8A:
undetectable		 5bs8A-2wu8A:
24.22
5bs8B-2wu8A:
19.21
5bs8C-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
 1.02A 5bs8A-2wzsA:
undetectable
5bs8B-2wzsA:
undetectable
5bs8C-2wzsA:
undetectable		 5bs8A-2wzsA:
20.13
5bs8B-2wzsA:
16.74
5bs8C-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
 0.95A 5bs8A-2x24A:
undetectable
5bs8B-2x24A:
undetectable
5bs8C-2x24A:
undetectable		 5bs8A-2x24A:
22.99
5bs8B-2x24A:
16.22
5bs8C-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.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE

(Shewanella sp.) 		PF00149
(Metallophos) 		4 ALA A  75
ASP A 133
ARG A 137
GLY A 141
 None
 1.02A 5bs8A-2zbmA:
undetectable
5bs8B-2zbmA:
undetectable
5bs8C-2zbmA:
undetectable		 5bs8A-2zbmA:
21.15
5bs8B-2zbmA:
21.79
5bs8C-2zbmA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.66A 5bs8A-3ab0C:
undetectable
5bs8B-3ab0C:
undetectable
5bs8C-3ab0C:
undetectable		 5bs8A-3ab0C:
13.29
5bs8B-3ab0C:
14.23
5bs8C-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
 0.85A 5bs8A-3bdlA:
undetectable
5bs8B-3bdlA:
undetectable
5bs8C-3bdlA:
undetectable		 5bs8A-3bdlA:
22.04
5bs8B-3bdlA:
21.25
5bs8C-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)
 0.85A 5bs8A-3c3nA:
undetectable
5bs8B-3c3nA:
undetectable
5bs8C-3c3nA:
undetectable		 5bs8A-3c3nA:
20.95
5bs8B-3c3nA:
21.00
5bs8C-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
 0.75A 5bs8A-3c85A:
undetectable
5bs8B-3c85A:
2.8
5bs8C-3c85A:
undetectable		 5bs8A-3c85A:
17.52
5bs8B-3c85A:
23.64
5bs8C-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.
3d8x THIOREDOXIN
REDUCTASE 1

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		4 ARG A  72
GLY A  43
THR A  84
GLU A  33
 None
 0.85A 5bs8A-3d8xA:
undetectable
5bs8B-3d8xA:
undetectable
5bs8C-3d8xA:
undetectable		 5bs8A-3d8xA:
23.13
5bs8B-3d8xA:
23.60
5bs8C-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 5bs8A-3da1A:
undetectable
5bs8B-3da1A:
undetectable
5bs8C-3da1A:
undetectable		 5bs8A-3da1A:
23.91
5bs8B-3da1A:
19.35
5bs8C-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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 149
ASP A 179
GLY A 173
THR A 409
 None
 0.98A 5bs8A-3e60A:
undetectable
5bs8B-3e60A:
undetectable
5bs8C-3e60A:
undetectable		 5bs8A-3e60A:
24.35
5bs8B-3e60A:
24.42
5bs8C-3e60A:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.73A 5bs8A-3epmA:
undetectable
5bs8B-3epmA:
2.0
5bs8C-3epmA:
undetectable		 5bs8A-3epmA:
22.77
5bs8B-3epmA:
18.31
5bs8C-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
 0.85A 5bs8A-3g2eA:
undetectable
5bs8B-3g2eA:
undetectable
5bs8C-3g2eA:
undetectable		 5bs8A-3g2eA:
17.82
5bs8B-3g2eA:
21.79
5bs8C-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.
3gxv REPLICATIVE DNA
HELICASE

(Helicobacter
pylori) 		PF00772
(DnaB) 		4 ALA A 104
GLY A  46
GLU A  50
ARG A 108
 None
 0.90A 5bs8A-3gxvA:
undetectable
5bs8B-3gxvA:
undetectable
5bs8C-3gxvA:
undetectable		 5bs8A-3gxvA:
13.50
5bs8B-3gxvA:
19.60
5bs8C-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.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ALA A 229
ASP A 342
ARG A 340
GLY A 339
GLU A 183
 None
 1.36A 5bs8A-3hriA:
1.4
5bs8B-3hriA:
undetectable
5bs8C-3hriA:
undetectable		 5bs8A-3hriA:
21.92
5bs8B-3hriA:
22.85
5bs8C-3hriA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 149
ASP A 179
GLY A 173
THR A 409
 None
 0.97A 5bs8A-3kzuA:
undetectable
5bs8B-3kzuA:
undetectable
5bs8C-3kzuA:
undetectable		 5bs8A-3kzuA:
22.58
5bs8B-3kzuA:
22.74
5bs8C-3kzuA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 5bs8A-3nzuA:
1.5
5bs8B-3nzuA:
undetectable
5bs8C-3nzuA:
undetectable		 5bs8A-3nzuA:
19.26
5bs8B-3nzuA:
13.96
5bs8C-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.
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 5bs8A-3p13A:
undetectable
5bs8B-3p13A:
undetectable
5bs8C-3p13A:
undetectable		 5bs8A-3p13A:
14.83
5bs8B-3p13A:
21.26
5bs8C-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.
3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Bartonella
henselae) 		PF00698
(Acyl_transf_1) 		4 ALA A 190
ASP A 163
ARG A 260
GLY A 166
 None
 1.04A 5bs8A-3qatA:
undetectable
5bs8B-3qatA:
undetectable
5bs8C-3qatA:
undetectable		 5bs8A-3qatA:
21.90
5bs8B-3qatA:
21.45
5bs8C-3qatA:
21.90
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.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		4 ALA A 387
ASP A 198
ARG A 410
GLU A  68
 None
 0.79A 5bs8A-3qtgA:
undetectable
5bs8B-3qtgA:
undetectable
5bs8C-3qtgA:
undetectable		 5bs8A-3qtgA:
21.96
5bs8B-3qtgA:
19.53
5bs8C-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
 0.85A 5bs8A-3qxmA:
undetectable
5bs8B-3qxmA:
undetectable
5bs8C-3qxmA:
undetectable		 5bs8A-3qxmA:
22.01
5bs8B-3qxmA:
25.25
5bs8C-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
 0.82A 5bs8A-3rxyA:
undetectable
5bs8B-3rxyA:
undetectable
5bs8C-3rxyA:
undetectable		 5bs8A-3rxyA:
20.68
5bs8B-3rxyA:
23.73
5bs8C-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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ASP A 257
ARG A 319
GLY A 317
GLU A 337
 None
 1.03A 5bs8A-3t6sA:
undetectable
5bs8B-3t6sA:
undetectable
5bs8C-3t6sA:
undetectable		 5bs8A-3t6sA:
21.79
5bs8B-3t6sA:
22.50
5bs8C-3t6sA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 5bs8A-3w5nA:
3.2
5bs8B-3w5nA:
undetectable
5bs8C-3w5nA:
undetectable		 5bs8A-3w5nA:
20.89
5bs8B-3w5nA:
13.54
5bs8C-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.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger) 		PF01593
(Amino_oxidase) 		4 ALA A  61
ARG A 476
GLY A 474
GLU A 473
 None
 0.96A 5bs8A-3zdnA:
undetectable
5bs8B-3zdnA:
undetectable
5bs8C-3zdnA:
undetectable		 5bs8A-3zdnA:
23.67
5bs8B-3zdnA:
20.04
5bs8C-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 5bs8A-4a01A:
undetectable
5bs8B-4a01A:
undetectable
5bs8C-4a01A:
0.7		 5bs8A-4a01A:
21.54
5bs8B-4a01A:
15.78
5bs8C-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
 0.79A 5bs8A-4a7kA:
undetectable
5bs8B-4a7kA:
undetectable
5bs8C-4a7kA:
undetectable		 5bs8A-4a7kA:
20.49
5bs8B-4a7kA:
16.46
5bs8C-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 5bs8A-4asiA:
undetectable
5bs8B-4asiA:
undetectable
5bs8C-4asiA:
undetectable		 5bs8A-4asiA:
21.83
5bs8B-4asiA:
16.39
5bs8C-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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ALA A 444
ASP A 243
GLY A 500
THR A 652
 None
 1.01A 5bs8A-4av6A:
1.6
5bs8B-4av6A:
undetectable
5bs8C-4av6A:
1.8		 5bs8A-4av6A:
22.51
5bs8B-4av6A:
17.69
5bs8C-4av6A:
22.51
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.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 ALA A 188
ASP A 205
THR A 280
GLU A 274
 None
 1.00A 5bs8A-4aw2A:
2.9
5bs8B-4aw2A:
undetectable
5bs8C-4aw2A:
3.5		 5bs8A-4aw2A:
18.77
5bs8B-4aw2A:
22.01
5bs8C-4aw2A:
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.
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 5bs8A-4aweA:
undetectable
5bs8B-4aweA:
undetectable
5bs8C-4aweA:
undetectable		 5bs8A-4aweA:
21.04
5bs8B-4aweA:
22.25
5bs8C-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.
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
 0.88A 5bs8A-4kzkA:
undetectable
5bs8B-4kzkA:
4.1
5bs8C-4kzkA:
undetectable		 5bs8A-4kzkA:
20.23
5bs8B-4kzkA:
22.65
5bs8C-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.
4le5 S-ADENOSYLMETHIONINE
SYNTHETASE

(Campylobacter
jejuni) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ALA A 289
ASP A 278
ARG A  37
GLY A 123
 None
 0.92A 5bs8A-4le5A:
0.7
5bs8B-4le5A:
undetectable
5bs8C-4le5A:
0.8		 5bs8A-4le5A:
22.92
5bs8B-4le5A:
21.90
5bs8C-4le5A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5bs8A-4o6mA:
undetectable
5bs8B-4o6mA:
undetectable
5bs8C-4o6mA:
undetectable		 5bs8A-4o6mA:
20.70
5bs8B-4o6mA:
21.88
5bs8C-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 5bs8A-4oudB:
undetectable
5bs8B-4oudB:
2.9
5bs8C-4oudB:
undetectable		 5bs8A-4oudB:
22.39
5bs8B-4oudB:
22.14
5bs8C-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
 0.99A 5bs8A-4p98A:
undetectable
5bs8B-4p98A:
undetectable
5bs8C-4p98A:
undetectable		 5bs8A-4p98A:
22.29
5bs8B-4p98A:
24.09
5bs8C-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.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		4 ASP A 329
ARG A 333
GLY A 334
ARG A 363
 None
 1.03A 5bs8A-4px9A:
undetectable
5bs8B-4px9A:
undetectable
5bs8C-4px9A:
undetectable		 5bs8A-4px9A:
21.44
5bs8B-4px9A:
23.38
5bs8C-4px9A:
21.44
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.
4r7v ARRESTIN
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF00339
(Arrestin_N) 		4 ALA A  51
ASP A  14
ARG A  33
GLU A 111
 None
 0.95A 5bs8A-4r7vA:
undetectable
5bs8B-4r7vA:
undetectable
5bs8C-4r7vA:
undetectable		 5bs8A-4r7vA:
15.81
5bs8B-4r7vA:
20.85
5bs8C-4r7vA:
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ALA A 384
ASP A  95
GLY A  91
GLU A  89
 None
 0.91A 5bs8A-4rvwA:
undetectable
5bs8B-4rvwA:
undetectable
5bs8C-4rvwA:
undetectable		 5bs8A-4rvwA:
21.56
5bs8B-4rvwA:
16.64
5bs8C-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.
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
 1.02A 5bs8A-4ubtA:
undetectable
5bs8B-4ubtA:
undetectable
5bs8C-4ubtA:
undetectable		 5bs8A-4ubtA:
23.46
5bs8B-4ubtA:
21.17
5bs8C-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
 0.84A 5bs8A-4up3A:
undetectable
5bs8B-4up3A:
undetectable
5bs8C-4up3A:
undetectable		 5bs8A-4up3A:
21.63
5bs8B-4up3A:
20.37
5bs8C-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 5bs8A-4wfsA:
undetectable
5bs8B-4wfsA:
undetectable
5bs8C-4wfsA:
undetectable		 5bs8A-4wfsA:
21.24
5bs8B-4wfsA:
23.14
5bs8C-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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 ALA A1023
ASP A1091
GLY A1139
GLU A1129
 None
 1.00A 5bs8A-4xqkA:
undetectable
5bs8B-4xqkA:
undetectable
5bs8C-4xqkA:
undetectable		 5bs8A-4xqkA:
15.18
5bs8B-4xqkA:
11.00
5bs8C-4xqkA:
15.18
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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 ALA A 394
ASP A  49
ARG A 346
GLY A 343
 None
 0.86A 5bs8A-4y9lA:
undetectable
5bs8B-4y9lA:
undetectable
5bs8C-4y9lA:
undetectable		 5bs8A-4y9lA:
25.00
5bs8B-4y9lA:
19.48
5bs8C-4y9lA:
25.00
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.
5cxo EPOXIDE HYDROLASE

(Streptomyces
albus) 		PF12680
(SnoaL_2) 		4 ALA A  72
ASP A 115
GLY A 112
GLU A 111
 None
 0.96A 5bs8A-5cxoA:
undetectable
5bs8B-5cxoA:
undetectable
5bs8C-5cxoA:
undetectable		 5bs8A-5cxoA:
14.81
5bs8B-5cxoA:
20.16
5bs8C-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.
5dud YBGK

(Escherichia
coli) 		PF02626
(CT_A_B) 		4 ALA A 288
ARG A 257
GLY A 179
GLU A 181
 None
 0.98A 5bs8A-5dudA:
undetectable
5bs8B-5dudA:
undetectable
5bs8C-5dudA:
undetectable		 5bs8A-5dudA:
20.44
5bs8B-5dudA:
20.71
5bs8C-5dudA:
20.44
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.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ASP A 329
ARG A 333
GLY A 334
ARG A 363
 None
 0.83A 5bs8A-5e7jA:
undetectable
5bs8B-5e7jA:
undetectable
5bs8C-5e7jA:
undetectable		 5bs8A-5e7jA:
22.59
5bs8B-5e7jA:
23.24
5bs8C-5e7jA:
22.59
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ALA B 847
ASP B 340
GLY B 201
THR B 361
 None
 0.91A 5bs8A-5fq6B:
undetectable
5bs8B-5fq6B:
undetectable
5bs8C-5fq6B:
undetectable		 5bs8A-5fq6B:
18.52
5bs8B-5fq6B:
12.53
5bs8C-5fq6B:
18.52
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.
5g3z ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 ALA A 161
ASP A  33
GLY A 134
GLU A  18
 None
 1.03A 5bs8A-5g3zA:
undetectable
5bs8B-5g3zA:
undetectable
5bs8C-5g3zA:
undetectable		 5bs8A-5g3zA:
17.26
5bs8B-5g3zA:
23.70
5bs8C-5g3zA:
17.26
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.
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 5bs8A-5g5uA:
undetectable
5bs8B-5g5uA:
undetectable
5bs8C-5g5uA:
undetectable		 5bs8A-5g5uA:
23.02
5bs8B-5g5uA:
23.30
5bs8C-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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		4 ALA A 261
ARG A 339
GLY A 337
GLU A 107
 None
 1.00A 5bs8A-5gj3A:
undetectable
5bs8B-5gj3A:
undetectable
5bs8C-5gj3A:
undetectable		 5bs8A-5gj3A:
20.27
5bs8B-5gj3A:
23.61
5bs8C-5gj3A:
20.27
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.
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
 0.85A 5bs8A-5ie2A:
2.7
5bs8B-5ie2A:
undetectable
5bs8C-5ie2A:
2.7		 5bs8A-5ie2A:
22.16
5bs8B-5ie2A:
19.85
5bs8C-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
 0.88A 5bs8A-5keiA:
undetectable
5bs8B-5keiA:
undetectable
5bs8C-5keiA:
2.2		 5bs8A-5keiA:
23.40
5bs8B-5keiA:
20.99
5bs8C-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
 0.76A 5bs8A-5m6uA:
undetectable
5bs8B-5m6uA:
undetectable
5bs8C-5m6uA:
undetectable		 5bs8A-5m6uA:
19.53
5bs8B-5m6uA:
13.82
5bs8C-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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 4 ALA A 557
GLY A 575
THR A 656
GLU A 601
 None
 0.96A 5bs8A-5n4cA:
undetectable
5bs8B-5n4cA:
2.8
5bs8C-5n4cA:
undetectable		 5bs8A-5n4cA:
21.75
5bs8B-5n4cA:
16.76
5bs8C-5n4cA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oet GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 30
(GPA-GSS30-APO)

(Globodera
pallida) 		no annotation 4 ALA B 335
ASP B 303
GLY B 287
GLU B 286
 None
 0.82A 5bs8A-5oetB:
undetectable
5bs8B-5oetB:
undetectable
5bs8C-5oetB:
undetectable		 5bs8A-5oetB:
9.70
5bs8B-5oetB:
14.62
5bs8C-5oetB:
9.70
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.
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 5bs8A-5t5iC:
undetectable
5bs8B-5t5iC:
undetectable
5bs8C-5t5iC:
undetectable		 5bs8A-5t5iC:
20.75
5bs8B-5t5iC:
21.25
5bs8C-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
 0.89A 5bs8A-5u1hA:
undetectable
5bs8B-5u1hA:
2.9
5bs8C-5u1hA:
undetectable		 5bs8A-5u1hA:
15.37
5bs8B-5u1hA:
20.70
5bs8C-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.
5u4o ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bacillus
anthracis) 		PF00496
(SBP_bac_5) 		4 ALA A  54
ARG A 514
GLU A 516
ARG A  50
 None
 0.80A 5bs8A-5u4oA:
4.4
5bs8B-5u4oA:
undetectable
5bs8C-5u4oA:
4.4		 5bs8A-5u4oA:
21.42
5bs8B-5u4oA:
21.35
5bs8C-5u4oA:
21.42
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.
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)
 0.82A 5bs8A-5ub8A:
undetectable
5bs8B-5ub8A:
3.7
5bs8C-5ub8A:
undetectable		 5bs8A-5ub8A:
19.14
5bs8B-5ub8A:
21.19
5bs8C-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 CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 ALA B 207
ARG B 189
GLY B 287
GLU B 288
 None
 1.02A 5bs8A-5uz9B:
1.8
5bs8B-5uz9B:
undetectable
5bs8C-5uz9B:
1.8		 5bs8A-5uz9B:
21.59
5bs8B-5uz9B:
23.82
5bs8C-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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 ARG B 189
GLY B 287
GLU B 288
ARG B 315
 None
 1.02A 5bs8A-5uz9B:
1.8
5bs8B-5uz9B:
undetectable
5bs8C-5uz9B:
1.8		 5bs8A-5uz9B:
21.59
5bs8B-5uz9B:
23.82
5bs8C-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
 0.94A 5bs8A-5v7iA:
undetectable
5bs8B-5v7iA:
undetectable
5bs8C-5v7iA:
undetectable		 5bs8A-5v7iA:
22.87
5bs8B-5v7iA:
22.17
5bs8C-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
 0.89A 5bs8A-5w4cA:
undetectable
5bs8B-5w4cA:
undetectable
5bs8C-5w4cA:
undetectable		 5bs8A-5w4cA:
10.38
5bs8B-5w4cA:
15.26
5bs8C-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
 0.84A 5bs8A-5w70A:
0.8
5bs8B-5w70A:
undetectable
5bs8C-5w70A:
0.8		 5bs8A-5w70A:
23.70
5bs8B-5w70A:
20.76
5bs8C-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.
5wb0 FUSION GLYCOPROTEIN
F0

(Human
metapneumovirus) 		no annotation 4 ALA F 338
GLY F 121
THR F 127
ARG F  40
 None
 1.02A 5bs8A-5wb0F:
undetectable
5bs8B-5wb0F:
undetectable
5bs8C-5wb0F:
undetectable		 5bs8A-5wb0F:
12.13
5bs8B-5wb0F:
15.69
5bs8C-5wb0F:
12.13
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.
5x9u THERMOSOME, ALPHA
SUBUNIT

(Carboxydothermus
hydrogenoformans) 		no annotation 4 ALA A 169
GLY A 199
THR A 331
GLU A 344
 None
 1.03A 5bs8A-5x9uA:
undetectable
5bs8B-5x9uA:
undetectable
5bs8C-5x9uA:
undetectable		 5bs8A-5x9uA:
22.69
5bs8B-5x9uA:
20.87
5bs8C-5x9uA:
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.
5xc3 PROBABLE RAB-RELATED
GTPASE

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 4 ALA A 149
ASP A  61
GLY A  12
GLU A  66
 None
MG  A1201 ( 4.0A)
None
GDP  A1200 ( 4.7A)
 0.89A 5bs8A-5xc3A:
undetectable
5bs8B-5xc3A:
3.1
5bs8C-5xc3A:
undetectable		 5bs8A-5xc3A:
14.71
5bs8B-5xc3A:
20.40
5bs8C-5xc3A:
14.71
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.
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
 0.86A 5bs8A-5xevA:
undetectable
5bs8B-5xevA:
undetectable
5bs8C-5xevA:
undetectable		 5bs8A-5xevA:
23.96
5bs8B-5xevA:
21.84
5bs8C-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
 0.99A 5bs8A-5yapA:
undetectable
5bs8B-5yapA:
undetectable
5bs8C-5yapA:
undetectable		 5bs8A-5yapA:
11.86
5bs8B-5yapA:
17.99
5bs8C-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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 4 ALA A 100
GLY A 130
THR A 150
GLU A 132
 None
 1.01A 5bs8A-5yp3A:
undetectable
5bs8B-5yp3A:
2.0
5bs8C-5yp3A:
undetectable		 5bs8A-5yp3A:
12.14
5bs8B-5yp3A:
17.39
5bs8C-5yp3A:
12.14
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.
5z95 -

(-) 		no annotation 4 ALA A 102
ARG A 229
GLY A 225
GLU A 226
 None
 0.71A 5bs8A-5z95A:
undetectable
5bs8B-5z95A:
3.1
5bs8C-5z95A:
undetectable		 5bs8A-5z95A:
undetectable
5bs8B-5z95A:
undetectable
5bs8C-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
 0.90A 5bs8A-5zvs2:
undetectable
5bs8B-5zvs2:
undetectable
5bs8C-5zvs2:
undetectable		 5bs8A-5zvs2:
9.13
5bs8B-5zvs2:
15.81
5bs8C-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
 1.02A 5bs8A-6c33A:
undetectable
5bs8B-6c33A:
undetectable
5bs8C-6c33A:
undetectable		 5bs8A-6c33A:
11.42
5bs8B-6c33A:
15.02
5bs8C-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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ALA A 367
ARG A 223
GLY A 470
GLU A 227
 None
 0.96A 5bs8A-6fhwA:
undetectable
5bs8B-6fhwA:
undetectable
5bs8C-6fhwA:
undetectable		 5bs8A-6fhwA:
15.97
5bs8B-6fhwA:
14.23
5bs8C-6fhwA:
15.97