SIMILAR PATTERNS OF AMINO ACIDS FOR 5D4N_C_ACTC201_0

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.
1bdg HEXOKINASE

(Schistosoma
mansoni) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 VAL A 297
VAL A 230
GLY A 231
PHE A 423
 None
None
SO4  A 502 ( 3.9A)
None
 1.10A 5d4nA-1bdgA:
undetectable
5d4nC-1bdgA:
undetectable		 5d4nA-1bdgA:
11.53
5d4nC-1bdgA:
11.53
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.
1ez4 LACTATE
DEHYDROGENASE

(Lactobacillus
pentosus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 VAL A 214
VAL A 221
GLY A 219
PHE A 178
 None
 1.08A 5d4nA-1ez4A:
0.2
5d4nC-1ez4A:
0.0		 5d4nA-1ez4A:
16.23
5d4nC-1ez4A:
16.23
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.
1h5p NUCLEAR AUTOANTIGEN
SP100-B

(Homo sapiens) 		PF01342
(SAND) 		4 VAL A 607
VAL A 612
GLY A 610
PHE A 643
 None
 0.99A 5d4nA-1h5pA:
0.0
5d4nC-1h5pA:
0.0		 5d4nA-1h5pA:
19.09
5d4nC-1h5pA:
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.
1itv MMP9

(Homo sapiens) 		PF00045
(Hemopexin) 		4 VAL A 138
VAL A 145
GLY A 144
PHE A 161
 None
 1.12A 5d4nA-1itvA:
undetectable
5d4nC-1itvA:
undetectable		 5d4nA-1itvA:
20.73
5d4nC-1itvA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iv0 HYPOTHETICAL PROTEIN

(Thermus
thermophilus) 		PF03652
(RuvX) 		4 VAL A  17
GLY A  29
ARG A  28
PHE A  46
 None
 1.05A 5d4nA-1iv0A:
0.0
5d4nC-1iv0A:
0.0		 5d4nA-1iv0A:
24.32
5d4nC-1iv0A:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j1i META CLEAVAGE
COMPOUND HYDROLASE

(Janthinobacterium) 		PF12697
(Abhydrolase_6) 		4 VAL A 228
VAL A 111
GLY A 112
PHE A 271
 None
 1.03A 5d4nA-1j1iA:
0.0
5d4nC-1j1iA:
undetectable		 5d4nA-1j1iA:
18.68
5d4nC-1j1iA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jzt HYPOTHETICAL 27.5
KDA PROTEIN IN
SPX19-GCR2
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF03853
(YjeF_N) 		4 VAL A 200
VAL A 217
GLY A 218
PHE A 235
 None
 1.08A 5d4nA-1jztA:
undetectable
5d4nC-1jztA:
0.0		 5d4nA-1jztA:
18.29
5d4nC-1jztA:
18.29
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.
1kwc 2,3-DIHYDROXYBIPHENY
L DIOXYGENASE

(Pseudomonas sp.
KKS102) 		PF00903
(Glyoxalase) 		4 VAL B 133
VAL B 220
GLY B 221
PHE B 261
 None
 0.82A 5d4nA-1kwcB:
0.0
5d4nC-1kwcB:
0.0		 5d4nA-1kwcB:
21.10
5d4nC-1kwcB:
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.
1lml LEISHMANOLYSIN

(Leishmania
major) 		PF01457
(Peptidase_M8) 		4 VAL A 177
VAL A 174
GLY A 107
ARG A 110
 None
 1.00A 5d4nA-1lmlA:
0.0
5d4nC-1lmlA:
0.0		 5d4nA-1lmlA:
10.83
5d4nC-1lmlA:
10.83
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.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 VAL A 222
VAL A 192
GLY A 191
PHE A 184
 None
 0.88A 5d4nA-1o12A:
undetectable
5d4nC-1o12A:
undetectable		 5d4nA-1o12A:
15.73
5d4nC-1o12A:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r3d CONSERVED
HYPOTHETICAL PROTEIN
VC1974

(Vibrio cholerae) 		PF12697
(Abhydrolase_6) 		4 VAL A 213
VAL A  88
GLY A  89
PHE A 250
 None
 0.95A 5d4nA-1r3dA:
undetectable
5d4nC-1r3dA:
undetectable		 5d4nA-1r3dA:
17.05
5d4nC-1r3dA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		4 VAL A  43
VAL A 147
GLY A 148
PHE A 152
 None
 1.01A 5d4nA-1smlA:
undetectable
5d4nC-1smlA:
undetectable		 5d4nA-1smlA:
19.43
5d4nC-1smlA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to5 SUPEROXIDE DISMUTASE

(Schistosoma
mansoni) 		PF00080
(Sod_Cu) 		4 VAL A  17
VAL A 148
GLY A 149
PHE A  19
 None
 1.02A 5d4nA-1to5A:
undetectable
5d4nC-1to5A:
undetectable		 5d4nA-1to5A:
21.25
5d4nC-1to5A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u8x MALTOSE-6'-PHOSPHATE
GLUCOSIDASE

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 VAL X 389
VAL X 358
GLY X 199
PHE X 352
 None
 0.97A 5d4nA-1u8xX:
undetectable
5d4nC-1u8xX:
undetectable		 5d4nA-1u8xX:
13.38
5d4nC-1u8xX:
13.38
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.
1vpr LUCIFERASE

(Lingulodinium
polyedra) 		PF10284
(Luciferase_3H)
PF10285
(Luciferase_cat) 		4 VAL A 954
VAL A1147
GLY A1148
PHE A1152
 None
 1.07A 5d4nA-1vprA:
undetectable
5d4nC-1vprA:
undetectable		 5d4nA-1vprA:
16.22
5d4nC-1vprA:
16.22
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.
2dld D-LACTATE
DEHYDROGENASE

(Lactobacillus
helveticus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 VAL A 232
VAL A 149
GLY A 150
PHE A 161
 None
 0.95A 5d4nA-2dldA:
undetectable
5d4nC-2dldA:
undetectable		 5d4nA-2dldA:
17.86
5d4nC-2dldA:
17.86
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		4 VAL B 206
VAL B 138
GLY B 135
PHE B 125
 None
 1.11A 5d4nA-2f9yB:
undetectable
5d4nC-2f9yB:
undetectable		 5d4nA-2f9yB:
17.38
5d4nC-2f9yB:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g85 CHORISMATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF01264
(Chorismate_synt) 		4 VAL A 352
VAL A 145
GLY A 148
ARG A 152
 None
 0.96A 5d4nA-2g85A:
0.7
5d4nC-2g85A:
undetectable		 5d4nA-2g85A:
14.70
5d4nC-2g85A:
14.70
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.
2i9s MESODERM DEVELOPMENT
CANDIDATE 2

(Mus musculus) 		PF10185
(Mesd) 		4 VAL A  56
GLY A  57
ARG A  60
PHE A  21
 None
 1.01A 5d4nA-2i9sA:
3.9
5d4nC-2i9sA:
4.4		 5d4nA-2i9sA:
19.44
5d4nC-2i9sA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)

(Homo sapiens) 		PF00080
(Sod_Cu) 		4 VAL A  64
VAL A 192
GLY A 193
PHE A  66
 None
 1.04A 5d4nA-2jlpA:
undetectable
5d4nC-2jlpA:
undetectable		 5d4nA-2jlpA:
20.18
5d4nC-2jlpA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lxd RHOMBOTIN-2, LINKER,
LIM DOMAIN-BINDING
PROTEIN 1

(Mus musculus;
synthetic
construct) 		PF00412
(LIM) 		4 VAL A  27
VAL A  88
GLY A  89
PHE A  37
 None
 1.03A 5d4nA-2lxdA:
undetectable
5d4nC-2lxdA:
undetectable		 5d4nA-2lxdA:
19.23
5d4nC-2lxdA:
19.23
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.
2nvo RO SIXTY-RELATED
PROTEIN, RSR

(Deinococcus
radiodurans) 		PF05731
(TROVE) 		4 VAL A 491
VAL A 513
GLY A 514
PHE A 499
 None
 0.87A 5d4nA-2nvoA:
undetectable
5d4nC-2nvoA:
undetectable		 5d4nA-2nvoA:
11.62
5d4nC-2nvoA:
11.62
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.
2olg PRO-PHENOLOXIDASE
ACTIVATING ENZYME-I

(Holotrichia
diomphalia) 		PF00089
(Trypsin) 		4 VAL A 295
VAL A 293
GLY A 292
PHE A 288
 None
 1.03A 5d4nA-2olgA:
undetectable
5d4nC-2olgA:
undetectable		 5d4nA-2olgA:
16.91
5d4nC-2olgA:
16.91
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.
2qe7 ATP SYNTHASE SUBUNIT
BETA

(Bacillus sp.
TA2.A1) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 VAL D 103
GLY D  87
ARG D  88
PHE D  90
 None
 0.98A 5d4nA-2qe7D:
undetectable
5d4nC-2qe7D:
undetectable		 5d4nA-2qe7D:
15.23
5d4nC-2qe7D:
15.23
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.
2v70 SLIT HOMOLOG 2
PROTEIN N-PRODUCT

(Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		4 VAL A 597
VAL A 621
GLY A 622
PHE A 626
 None
 1.05A 5d4nA-2v70A:
undetectable
5d4nC-2v70A:
undetectable		 5d4nA-2v70A:
17.65
5d4nC-2v70A:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vvd SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 4 VAL A 301
VAL A 224
GLY A 223
PHE A 310
 None
 1.05A 5d4nA-2vvdA:
undetectable
5d4nC-2vvdA:
undetectable		 5d4nA-2vvdA:
18.78
5d4nC-2vvdA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vve SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 4 VAL A 300
VAL A 223
GLY A 222
PHE A 309
 None
 1.06A 5d4nA-2vveA:
undetectable
5d4nC-2vveA:
undetectable		 5d4nA-2vveA:
15.35
5d4nC-2vveA:
15.35
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.
2w0c PROTEIN 2

(Pseudoalteromonas
virus PM2) 		no annotation 4 VAL L 300
VAL L 223
GLY L 222
PHE L 309
 None
 1.04A 5d4nA-2w0cL:
undetectable
5d4nC-2w0cL:
undetectable		 5d4nA-2w0cL:
16.22
5d4nC-2w0cL:
16.22
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.
2wym L-ASCORBATE-6-PHOSPH
ATE LACTONASE ULAG

(Escherichia
coli) 		PF13483
(Lactamase_B_3) 		4 VAL A 131
VAL A 156
ARG A 160
PHE A 141
 None
 1.02A 5d4nA-2wymA:
undetectable
5d4nC-2wymA:
undetectable		 5d4nA-2wymA:
16.34
5d4nC-2wymA:
16.34
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.
2wzv NFNB PROTEIN

(Mycolicibacterium
smegmatis) 		PF00881
(Nitroreductase) 		4 VAL A 190
VAL A 196
GLY A 195
PHE A 146
 None
 1.07A 5d4nA-2wzvA:
1.2
5d4nC-2wzvA:
1.3		 5d4nA-2wzvA:
17.17
5d4nC-2wzvA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 VAL A 216
GLY A 335
ARG A 334
PHE A 418
 None
 1.07A 5d4nA-2xf2A:
undetectable
5d4nC-2xf2A:
undetectable		 5d4nA-2xf2A:
9.97
5d4nC-2xf2A:
9.97
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.
2xjy RHOMBOTIN-2
LIM DOMAIN-BINDING
PROTEIN 1

(Homo sapiens;
Homo sapiens) 		PF00412
(LIM)
no annotation 		4 VAL A 110
VAL B 340
GLY B 341
PHE A 120
 None
 0.75A 5d4nA-2xjyA:
undetectable
5d4nC-2xjyA:
undetectable		 5d4nA-2xjyA:
21.32
5d4nC-2xjyA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		4 VAL A 131
VAL A 129
GLY A 128
PHE A  65
 None
 1.10A 5d4nA-2xmrA:
undetectable
5d4nC-2xmrA:
undetectable		 5d4nA-2xmrA:
18.12
5d4nC-2xmrA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0h PHOTOSYSTEM II D2
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00124
(Photo_RC) 		4 VAL D  28
GLY D  31
ARG D 128
PHE D  38
 None
 0.85A 5d4nA-3a0hD:
undetectable
5d4nC-3a0hD:
undetectable		 5d4nA-3a0hD:
13.20
5d4nC-3a0hD:
13.20
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.
3a3u MENAQUINONE
BIOSYNTHETIC ENZYME

(Thermus
thermophilus) 		PF02621
(VitK2_biosynth) 		4 VAL A 250
VAL A 242
GLY A 243
PHE A 271
 None
 0.60A 5d4nA-3a3uA:
undetectable
5d4nC-3a3uA:
undetectable		 5d4nA-3a3uA:
16.91
5d4nC-3a3uA:
16.91
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.
3b5i S-ADENOSYL-L-METHION
INE:SALICYLIC ACID
CARBOXYL
METHYLTRANSFERASE-LI
KE PROTEIN

(Arabidopsis
thaliana) 		PF03492
(Methyltransf_7) 		4 VAL A  57
VAL A 137
GLY A 136
PHE A 146
 None
 0.93A 5d4nA-3b5iA:
undetectable
5d4nC-3b5iA:
undetectable		 5d4nA-3b5iA:
14.48
5d4nC-3b5iA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bu2 PUTATIVE
TRNA-BINDING PROTEIN

(Staphylococcus
saprophyticus) 		PF01588
(tRNA_bind)
PF14794
(DUF4479) 		4 VAL A  28
VAL A  33
GLY A  31
PHE A  81
 None
 0.88A 5d4nA-3bu2A:
undetectable
5d4nC-3bu2A:
undetectable		 5d4nA-3bu2A:
19.81
5d4nC-3bu2A:
19.81
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.
3ff6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 VAL A2083
VAL A2096
GLY A2095
PHE A2071
 None
 1.01A 5d4nA-3ff6A:
undetectable
5d4nC-3ff6A:
undetectable		 5d4nA-3ff6A:
10.20
5d4nC-3ff6A:
10.20
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.
3fnt HAP PROTEIN

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 VAL A 197
VAL A 205
GLY A 201
PHE A 227
 None
 0.79A 5d4nA-3fntA:
undetectable
5d4nC-3fntA:
undetectable		 5d4nA-3fntA:
14.46
5d4nC-3fntA:
14.46
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.
3g0q A/G-SPECIFIC ADENINE
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD)
PF14815
(NUDIX_4) 		4 VAL A 131
VAL A 123
GLY A 124
PHE A 117
 None
None
CA  A   1 ( 4.2A)
None
 1.00A 5d4nA-3g0qA:
undetectable
5d4nC-3g0qA:
undetectable		 5d4nA-3g0qA:
17.56
5d4nC-3g0qA:
17.56
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		4 VAL A 351
VAL A 364
GLY A 363
PHE A 339
 None
 0.97A 5d4nA-3gf7A:
undetectable
5d4nC-3gf7A:
undetectable		 5d4nA-3gf7A:
10.37
5d4nC-3gf7A:
10.37
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.
3gmg UNCHARACTERIZED
PROTEIN
RV1825/MT1873

(Mycobacterium
tuberculosis) 		PF05949
(DUF881) 		4 VAL A 212
VAL A 158
GLY A 159
ARG A 280
 None
 0.98A 5d4nA-3gmgA:
4.4
5d4nC-3gmgA:
4.5		 5d4nA-3gmgA:
21.71
5d4nC-3gmgA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hv1 POLAR AMINO ACID ABC
UPTAKE TRANSPORTER
SUBSTRATE BINDING
PROTEIN

(Streptococcus
thermophilus) 		PF00497
(SBP_bac_3) 		4 VAL A 176
VAL A 181
GLY A 154
PHE A 165
 None
 1.04A 5d4nA-3hv1A:
undetectable
5d4nC-3hv1A:
undetectable		 5d4nA-3hv1A:
17.29
5d4nC-3hv1A:
17.29
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.
3ios DISULFIDE BOND
FORMING PROTEIN
(DSBF)

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 VAL A 137
VAL A 143
GLY A 142
PHE A  76
 None
 1.00A 5d4nA-3iosA:
undetectable
5d4nC-3iosA:
undetectable		 5d4nA-3iosA:
19.44
5d4nC-3iosA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kex RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 921
VAL A 882
GLY A 879
PHE A 946
 None
 1.08A 5d4nA-3kexA:
undetectable
5d4nC-3kexA:
undetectable		 5d4nA-3kexA:
18.75
5d4nC-3kexA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kya PUTATIVE PHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 VAL A 482
VAL A 129
GLY A 130
PHE A 465
 None
 0.89A 5d4nA-3kyaA:
undetectable
5d4nC-3kyaA:
undetectable		 5d4nA-3kyaA:
13.20
5d4nC-3kyaA:
13.20
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.
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 919
VAL A 880
GLY A 877
PHE A 944
 None
 1.05A 5d4nA-3lzbA:
undetectable
5d4nC-3lzbA:
undetectable		 5d4nA-3lzbA:
18.28
5d4nC-3lzbA:
18.28
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.
3otr ENOLASE

(Toxoplasma
gondii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 VAL A 302
VAL A 321
GLY A 322
PHE A 317
 None
 0.94A 5d4nA-3otrA:
undetectable
5d4nC-3otrA:
undetectable		 5d4nA-3otrA:
11.99
5d4nC-3otrA:
11.99
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.
3p1w RABGDI PROTEIN

(Plasmodium
falciparum) 		PF00996
(GDI) 		4 VAL A 350
VAL A 104
GLY A 106
PHE A  79
 None
 0.79A 5d4nA-3p1wA:
1.6
5d4nC-3p1wA:
1.8		 5d4nA-3p1wA:
12.00
5d4nC-3p1wA:
12.00
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		4 VAL A 238
VAL A 199
GLY A 200
PHE A 266
 None
 0.99A 5d4nA-3pl2A:
undetectable
5d4nC-3pl2A:
undetectable		 5d4nA-3pl2A:
18.34
5d4nC-3pl2A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 951
VAL A 912
GLY A 909
PHE A 976
 None
 1.02A 5d4nA-3pp0A:
undetectable
5d4nC-3pp0A:
undetectable		 5d4nA-3pp0A:
17.53
5d4nC-3pp0A:
17.53
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		4 VAL A 207
VAL A 155
GLY A 156
PHE A 202
 None
 0.94A 5d4nA-3q31A:
undetectable
5d4nC-3q31A:
undetectable		 5d4nA-3q31A:
18.70
5d4nC-3q31A:
18.70
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.
3qvi HISTO-ASPARTIC
PROTEASE

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 VAL A 197
VAL A 205
GLY A 201
PHE A 227
 VAL  A 197 ( 0.5A)
VAL  A 205 ( 0.6A)
GLY  A 201 ( 0.0A)
PHE  A 227 ( 1.4A)
 0.92A 5d4nA-3qviA:
undetectable
5d4nC-3qviA:
undetectable		 5d4nA-3qviA:
12.42
5d4nC-3qviA:
12.42
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.
3sig POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Thermomonospora
curvata) 		PF10021
(DUF2263) 		4 VAL A 157
VAL A 155
GLY A 154
PHE A 174
 None
 1.10A 5d4nA-3sigA:
undetectable
5d4nC-3sigA:
undetectable		 5d4nA-3sigA:
18.98
5d4nC-3sigA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wgd THIOREDOXIN
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00085
(Thioredoxin) 		4 VAL A 127
VAL A 133
GLY A 132
PHE A  84
 None
 1.10A 5d4nA-3wgdA:
undetectable
5d4nC-3wgdA:
undetectable		 5d4nA-3wgdA:
17.39
5d4nC-3wgdA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Pseudomonas sp.
VM15C) 		no annotation 4 VAL A  28
VAL A  47
GLY A  31
PHE A  45
 None
 1.11A 5d4nA-3wweA:
undetectable
5d4nC-3wweA:
undetectable		 5d4nA-3wweA:
15.66
5d4nC-3wweA:
15.66
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.
4a6u OMEGA TRANSAMINASE

(Chromobacterium
violaceum) 		PF00202
(Aminotran_3) 		4 VAL A 423
VAL A 379
GLY A 375
ARG A 374
 None
 1.10A 5d4nA-4a6uA:
undetectable
5d4nC-4a6uA:
undetectable		 5d4nA-4a6uA:
16.55
5d4nC-4a6uA:
16.55
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.
4axs CARBAMATE KINASE

(Mycoplasma
penetrans) 		PF00696
(AA_kinase) 		4 VAL A  51
VAL A 128
GLY A 129
PHE A  73
 None
 0.87A 5d4nA-4axsA:
undetectable
5d4nC-4axsA:
undetectable		 5d4nA-4axsA:
14.16
5d4nC-4axsA:
14.16
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.
4e54 DNA DAMAGE-BINDING
PROTEIN 2

(Homo sapiens) 		PF00400
(WD40) 		4 VAL B 353
GLY B 354
ARG B 355
PHE B 375
 None
 1.09A 5d4nA-4e54B:
undetectable
5d4nC-4e54B:
undetectable		 5d4nA-4e54B:
12.64
5d4nC-4e54B:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		4 VAL A 194
VAL A 213
GLY A 214
PHE A 221
 None
 1.08A 5d4nA-4ehjA:
undetectable
5d4nC-4ehjA:
undetectable		 5d4nA-4ehjA:
16.33
5d4nC-4ehjA:
16.33
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.
4fym OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Plasmodium
falciparum) 		PF00156
(Pribosyltran) 		4 VAL A 232
VAL A 263
GLY A 264
PHE A 235
 None
 0.92A 5d4nA-4fymA:
undetectable
5d4nC-4fymA:
undetectable		 5d4nA-4fymA:
18.42
5d4nC-4fymA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g2r ACCD6,
CARBOXYLTRANSFERASE
BETA-SUBUNIT OF
ACYL-COA CARBOXYLASE

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		4 VAL A 270
VAL A 283
GLY A 282
PHE A 258
 None
 1.08A 5d4nA-4g2rA:
undetectable
5d4nC-4g2rA:
undetectable		 5d4nA-4g2rA:
11.63
5d4nC-4g2rA:
11.63
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.
4ij3 SULFHYDRYL OXIDASE 1

(Homo sapiens) 		PF00085
(Thioredoxin) 		4 VAL A 225
VAL A 231
GLY A 230
PHE A 192
 None
 1.07A 5d4nA-4ij3A:
undetectable
5d4nC-4ij3A:
undetectable		 5d4nA-4ij3A:
21.96
5d4nC-4ij3A:
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 VAL A4416
VAL A4342
GLY A4343
PHE A4315
 None
 1.03A 5d4nA-4opeA:
undetectable
5d4nC-4opeA:
undetectable		 5d4nA-4opeA:
10.39
5d4nC-4opeA:
10.39
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.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 VAL A 380
VAL A 334
GLY A 333
ARG A 362
 None
 1.10A 5d4nA-4phcA:
undetectable
5d4nC-4phcA:
0.4		 5d4nA-4phcA:
12.95
5d4nC-4phcA:
12.95
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		4 VAL A 318
VAL A 468
GLY A 467
PHE A 483
 None
None
None
EDO  A 604 (-3.8A)
 0.98A 5d4nA-4pz2A:
undetectable
5d4nC-4pz2A:
undetectable		 5d4nA-4pz2A:
15.00
5d4nC-4pz2A:
15.00
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.
4r4g PUTATIVE LIPOPROTEIN
YCDA

(Bacillus
subtilis) 		PF11611
(DUF4352)
PF17118
(DUF5105) 		4 VAL A  75
VAL A  73
GLY A 124
PHE A  90
 None
 1.02A 5d4nA-4r4gA:
undetectable
5d4nC-4r4gA:
undetectable		 5d4nA-4r4gA:
20.52
5d4nC-4r4gA:
20.52
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.
4xe7 UNCHARACTERIZED
PROTEIN

(Bacillus
thuringiensis) 		no annotation 4 VAL A 327
VAL A 332
GLY A 330
PHE A 279
 None
 1.10A 5d4nA-4xe7A:
undetectable
5d4nC-4xe7A:
undetectable		 5d4nA-4xe7A:
14.36
5d4nC-4xe7A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhp PARM HYBRID FUSION
PROTEIN

(Bacillus
thuringiensis) 		no annotation 4 VAL A 770
VAL A 775
GLY A 773
PHE A 722
 None
 1.05A 5d4nA-4xhpA:
undetectable
5d4nC-4xhpA:
undetectable		 5d4nA-4xhpA:
8.55
5d4nC-4xhpA:
8.55
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.
4y2w ALANINE RACEMASE 1

(Caldanaerobacter
subterraneus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 VAL A 370
VAL A 285
GLY A 286
PHE A 250
 None
 0.90A 5d4nA-4y2wA:
undetectable
5d4nC-4y2wA:
undetectable		 5d4nA-4y2wA:
16.94
5d4nC-4y2wA:
16.94
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.
4ytw MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
35
PROTEIN UPS1,
MITOCHONDRIAL

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF05254
(UPF0203)
PF04707
(PRELI) 		4 VAL B  84
VAL B  44
GLY B  48
PHE A  32
 None
 1.00A 5d4nA-4ytwB:
undetectable
5d4nC-4ytwB:
undetectable		 5d4nA-4ytwB:
19.89
5d4nC-4ytwB:
19.89
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.
5af3 VAPBC49

(Mycobacterium
tuberculosis) 		PF04255
(DUF433) 		4 VAL A 206
VAL A 225
GLY A 224
PHE A 196
 None
 1.04A 5d4nA-5af3A:
undetectable
5d4nC-5af3A:
undetectable		 5d4nA-5af3A:
21.43
5d4nC-5af3A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis) 		no annotation 4 VAL A 432
VAL A 403
GLY A 402
PHE A 420
 None
 0.96A 5d4nA-5awpA:
undetectable
5d4nC-5awpA:
undetectable		 5d4nA-5awpA:
10.87
5d4nC-5awpA:
10.87
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.
5c04 PUTATIVE
PEROXIREDOXIN MT2298

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 VAL A 100
VAL A 106
GLY A 105
PHE A  36
 None
 1.11A 5d4nA-5c04A:
undetectable
5d4nC-5c04A:
undetectable		 5d4nA-5c04A:
25.00
5d4nC-5c04A:
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 VAL A1878
VAL A1891
GLY A1890
PHE A1866
 None
 1.02A 5d4nA-5cslA:
undetectable
5d4nC-5cslA:
undetectable		 5d4nA-5cslA:
4.67
5d4nC-5cslA:
4.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d4o NITROGEN REGULATORY
PROTEIN P-II

(Thiomonas
intermedia) 		PF00543
(P-II) 		4 VAL A 100
GLY A 101
ARG A 102
PHE A 106
 BCT  A 202 (-3.5A)
BCT  A 202 (-3.5A)
BCT  A 202 (-3.7A)
AMP  A 203 (-4.3A)
 0.35A 5d4nA-5d4oA:
21.2
5d4nC-5d4oA:
17.4		 5d4nA-5d4oA:
100.00
5d4nC-5d4oA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		4 VAL B 124
VAL B 199
GLY B 200
PHE B 195
 None
 1.09A 5d4nA-5e6sB:
undetectable
5d4nC-5e6sB:
undetectable		 5d4nA-5e6sB:
13.68
5d4nC-5e6sB:
13.68
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.
5e8c UL34 PROTEIN

(Suid
alphaherpesvirus
1) 		PF04541
(Herpes_U34) 		4 VAL B  55
VAL B  71
GLY B  84
PHE B  50
 None
 1.09A 5d4nA-5e8cB:
undetectable
5d4nC-5e8cB:
undetectable		 5d4nA-5e8cB:
19.57
5d4nC-5e8cB:
19.57
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.
5egn ESTERASE

(uncultured
bacterium) 		PF12697
(Abhydrolase_6) 		4 VAL A 209
VAL A  90
GLY A  91
PHE A 252
 None
 1.11A 5d4nA-5egnA:
undetectable
5d4nC-5egnA:
undetectable		 5d4nA-5egnA:
20.16
5d4nC-5egnA:
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.
5epf PEROXIREDOXIN

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 VAL A 105
VAL A 111
GLY A 110
PHE A  43
 None
 0.98A 5d4nA-5epfA:
undetectable
5d4nC-5epfA:
undetectable		 5d4nA-5epfA:
22.35
5d4nC-5epfA:
22.35
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.
5frt DIMERIC (2FE-2S)
PROTEIN

(Azotobacter
vinelandii) 		PF00111
(Fer2) 		4 VAL A  30
VAL A  36
GLY A  35
PHE A   6
 None
 1.08A 5d4nA-5frtA:
undetectable
5d4nC-5frtA:
undetectable		 5d4nA-5frtA:
24.06
5d4nC-5frtA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		4 VAL A 584
VAL A 629
GLY A 627
PHE A 750
 None
 1.01A 5d4nA-5ikpA:
undetectable
5d4nC-5ikpA:
undetectable		 5d4nA-5ikpA:
8.19
5d4nC-5ikpA:
8.19
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.
5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I

(Geobacillus
stearothermophilus) 		PF01654
(Cyt_bd_oxida_I) 		4 VAL A 135
VAL A  31
GLY A  30
PHE A  61
 None
 1.02A 5d4nA-5ir6A:
undetectable
5d4nC-5ir6A:
undetectable		 5d4nA-5ir6A:
14.93
5d4nC-5ir6A:
14.93
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.
5j9z EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 943
VAL A 904
GLY A 901
PHE A 968
 None
 1.04A 5d4nA-5j9zA:
undetectable
5d4nC-5j9zA:
undetectable		 5d4nA-5j9zA:
16.89
5d4nC-5j9zA:
16.89
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.
5jqm PROTEIN UPS1,
MITOCHONDRIAL,MITOCH
ONDRIAL DISTRIBUTION
AND MORPHOLOGY
PROTEIN 35

(Saccharomyces
cerevisiae) 		PF04707
(PRELI)
PF05254
(UPF0203) 		4 VAL A  84
VAL A  44
GLY A  48
PHE A 215
 None
 0.99A 5d4nA-5jqmA:
1.0
5d4nC-5jqmA:
1.1		 5d4nA-5jqmA:
17.88
5d4nC-5jqmA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 VAL A 131
VAL A 123
GLY A 124
PHE A 117
 None
None
CA  A 302 ( 4.3A)
None
 0.98A 5d4nA-5kn8A:
undetectable
5d4nC-5kn8A:
undetectable		 5d4nA-5kn8A:
19.58
5d4nC-5kn8A:
19.58
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 VAL A  60
VAL A 407
GLY A 406
PHE A 397
 FAD  A 901 (-3.1A)
None
None
None
 1.09A 5d4nA-5l46A:
3.3
5d4nC-5l46A:
3.4		 5d4nA-5l46A:
8.32
5d4nC-5l46A:
8.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 VAL A 407
VAL A  60
GLY A  61
PHE A 397
 None
FAD  A 901 (-3.1A)
None
None
 1.03A 5d4nA-5l46A:
3.3
5d4nC-5l46A:
3.4		 5d4nA-5l46A:
8.32
5d4nC-5l46A:
8.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B

(Acinetobacter
calcoaceticus) 		no annotation 4 VAL A 349
VAL A 380
GLY A 379
PHE A   9
 None
 0.94A 5d4nA-5minA:
undetectable
5d4nC-5minA:
undetectable		 5d4nA-5minA:
undetectable
5d4nC-5minA:
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.
5oq3 CWP19

(Clostridioides
difficile) 		no annotation 4 VAL A 183
VAL A 192
GLY A 191
PHE A 128
 None
 1.09A 5d4nA-5oq3A:
undetectable
5d4nC-5oq3A:
undetectable		 5d4nA-5oq3A:
12.81
5d4nC-5oq3A:
12.81
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.
5ovu BETA-PROTEOBACTERIA
PROTEASOME HOMOLOGUE

(Cupriavidus
metallidurans) 		no annotation 4 VAL A  45
VAL A 121
GLY A 120
PHE A  80
 None
None
MLI  A 202 ( 3.7A)
None
 1.10A 5d4nA-5ovuA:
undetectable
5d4nC-5ovuA:
undetectable		 5d4nA-5ovuA:
undetectable
5d4nC-5ovuA:
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.
5tu4 PAGF
PRENYLTRANSFERASE

(Planktothrix
agardhii) 		no annotation 4 VAL A  91
VAL A  97
GLY A  96
PHE A 177
 None
 1.06A 5d4nA-5tu4A:
1.4
5d4nC-5tu4A:
1.4		 5d4nA-5tu4A:
19.27
5d4nC-5tu4A:
19.27
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.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		no annotation 4 VAL A 380
VAL A 334
GLY A 333
ARG A 362
 None
 1.03A 5d4nA-5w6mA:
undetectable
5d4nC-5w6mA:
undetectable		 5d4nA-5w6mA:
undetectable
5d4nC-5w6mA:
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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 4 VAL A  84
VAL A 222
GLY A 223
PHE A 199
 None
 1.09A 5d4nA-5wt4A:
undetectable
5d4nC-5wt4A:
undetectable		 5d4nA-5wt4A:
undetectable
5d4nC-5wt4A:
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.
5wuf PUTATIVE MEMBRANE
PROTEIN

(Colwellia
psychrerythraea) 		PF03458
(UPF0126) 		4 VAL A  13
VAL A  43
GLY A  44
PHE A  58
 None
 1.12A 5d4nA-5wufA:
undetectable
5d4nC-5wufA:
undetectable		 5d4nA-5wufA:
16.47
5d4nC-5wufA:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xvh 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING PROTEIN

(Pyrobaculum
calidifontis) 		no annotation 4 VAL A  91
VAL A 136
GLY A 137
PHE A 150
 None
 1.08A 5d4nA-5xvhA:
undetectable
5d4nC-5xvhA:
undetectable		 5d4nA-5xvhA:
undetectable
5d4nC-5xvhA:
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.
6f5d ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 4 VAL D 114
GLY D  98
ARG D  99
PHE D 101
 None
 0.97A 5d4nA-6f5dD:
undetectable
5d4nC-6f5dD:
undetectable		 5d4nA-6f5dD:
undetectable
5d4nC-6f5dD:
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.
6fkh ATP SYNTHASE SUBUNIT
BETA, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 4 VAL D 124
GLY D 108
ARG D 109
PHE D 111
 None
 0.95A 5d4nA-6fkhD:
undetectable
5d4nC-6fkhD:
undetectable		 5d4nA-6fkhD:
undetectable
5d4nC-6fkhD:
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.
6glc E3 UBIQUITIN-PROTEIN
LIGASE PARKIN

(Homo sapiens) 		no annotation 4 VAL A  30
VAL A  36
GLY A  35
PHE A   7
 None
 1.10A 5d4nA-6glcA:
undetectable
5d4nC-6glcA:
undetectable		 5d4nA-6glcA:
undetectable
5d4nC-6glcA:
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.
6gw5 -

(-) 		no annotation 4 VAL A 292
VAL A 356
GLY A 353
PHE A  69
 None
 0.97A 5d4nA-6gw5A:
undetectable
5d4nC-6gw5A:
undetectable		 5d4nA-6gw5A:
undetectable
5d4nC-6gw5A:
undetectable