SIMILAR PATTERNS OF AMINO ACIDS FOR 3SI7_D_ACTD4

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.
1a9w HEMOGLOBIN (BETA
CHAIN)

(Homo sapiens) 		PF00042
(Globin) 		4 LEU E 106
LEU E  28
GLY E  25
GLY E  29
 HEM  E 147 (-4.3A)
None
None
None
 0.82A 3si7C-1a9wE:
0.0
3si7D-1a9wE:
undetectable		 3si7C-1a9wE:
19.24
3si7D-1a9wE:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1avv NEGATIVE FACTOR

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		4 LEU A 198
GLY A 132
GLY A 130
THR A 128
 None
 0.64A 3si7C-1avvA:
0.0
3si7D-1avvA:
undetectable		 3si7C-1avvA:
20.57
3si7D-1avvA:
20.57
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.
1cxa CYTOCHROME C2

(Rhodobacter
sphaeroides) 		PF00034
(Cytochrom_C) 		4 LEU A  87
LEU A  69
GLY A  65
THR A  91
 None
 0.81A 3si7C-1cxaA:
0.0
3si7D-1cxaA:
0.0		 3si7C-1cxaA:
17.89
3si7D-1cxaA:
17.89
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		4 LEU A 248
LEU A 199
GLY A 197
GLY A 195
 None
 0.78A 3si7C-1ekqA:
0.5
3si7D-1ekqA:
0.7		 3si7C-1ekqA:
24.61
3si7D-1ekqA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		4 LEU A 244
GLY A 212
GLY A 210
THR A 208
 None
SO4  A2003 (-3.2A)
SO4  A2005 (-3.6A)
None
 0.77A 3si7C-1jxiA:
0.7
3si7D-1jxiA:
1.0		 3si7C-1jxiA:
20.38
3si7D-1jxiA:
20.38
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.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 LEU A  81
LEU A  73
GLY A  72
GLY A  74
 None
None
NAD  A 900 (-3.3A)
NAD  A 900 (-4.0A)
 0.74A 3si7C-1la2A:
0.2
3si7D-1la2A:
0.2		 3si7C-1la2A:
19.63
3si7D-1la2A:
19.63
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.
1m3u 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF02548
(Pantoate_transf) 		4 LEU A 180
LEU A 163
GLY A 160
GLY A 154
 None
 0.68A 3si7C-1m3uA:
0.0
3si7D-1m3uA:
0.0		 3si7C-1m3uA:
20.21
3si7D-1m3uA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ni3 YCHF GTP-BINDING
PROTEIN

(Schizosaccharomyces
pombe) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		4 LEU A 151
LEU A 105
GLY A 106
GLY A 104
 None
 0.73A 3si7C-1ni3A:
0.0
3si7D-1ni3A:
0.0		 3si7C-1ni3A:
22.78
3si7D-1ni3A:
22.78
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		4 LEU A 112
GLY A 214
GLY A 193
THR A 172
 None
 0.84A 3si7C-1nmoA:
0.0
3si7D-1nmoA:
0.0		 3si7C-1nmoA:
22.07
3si7D-1nmoA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pzn DNA REPAIR AND
RECOMBINATION
PROTEIN RAD51

(Pyrococcus
furiosus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 LEU A 311
LEU A 124
GLY A 125
GLY A 127
 None
 0.82A 3si7C-1pznA:
undetectable
3si7D-1pznA:
undetectable		 3si7C-1pznA:
22.43
3si7D-1pznA:
22.43
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.
1qav NEURONAL NITRIC
OXIDE SYNTHASE
(RESIDUES 1-130)

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 LEU B1084
LEU B1028
GLY B1029
GLY B1027
 None
 0.79A 3si7C-1qavB:
undetectable
3si7D-1qavB:
undetectable		 3si7C-1qavB:
16.84
3si7D-1qavB:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qot CHITIN BINDING
LECTIN, UEA-II

(Ulex europaeus) 		PF00139
(Lectin_legB) 		4 LEU A  88
GLY A  87
GLY A 216
THR A  37
 None
 0.65A 3si7C-1qotA:
undetectable
3si7D-1qotA:
undetectable		 3si7C-1qotA:
21.28
3si7D-1qotA:
21.28
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 LEU B  74
LEU B  16
GLY B  15
GLY B  17
 None
 0.74A 3si7C-1tqyB:
undetectable
3si7D-1tqyB:
undetectable		 3si7C-1tqyB:
20.47
3si7D-1tqyB:
20.47
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.
1wmw GERANYLGERANYL
DIPHOSPHATE
SYNTHETASE

(Thermus
thermophilus) 		PF00348
(polyprenyl_synt) 		4 LEU A  46
LEU A 204
GLY A 205
GLY A 201
 None
 0.82A 3si7C-1wmwA:
undetectable
3si7D-1wmwA:
undetectable		 3si7C-1wmwA:
20.16
3si7D-1wmwA:
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.
1wpq GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD+], CYTOPLASMIC

(Homo sapiens) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 LEU A  89
LEU A 140
GLY A 141
GLY A 137
 None
 0.77A 3si7C-1wpqA:
undetectable
3si7D-1wpqA:
undetectable		 3si7C-1wpqA:
21.37
3si7D-1wpqA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xfa CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Mus musculus) 		PF00005
(ABC_tran)
PF14396
(CFTR_R) 		4 LEU A 541
GLY A 542
GLY A 545
THR A 547
 ACY  A   7 (-4.2A)
ACY  A   7 (-3.3A)
ACY  A   7 (-3.0A)
ACY  A   7 ( 3.1A)
 0.19A 3si7C-1xfaA:
42.6
3si7D-1xfaA:
43.3		 3si7C-1xfaA:
99.65
3si7D-1xfaA:
99.65
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.
2c47 CASEIN KINASE 1
GAMMA 2 ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 122
GLY A 123
GLY A 174
THR A 178
 5ID  A1300 (-4.2A)
None
None
None
 0.80A 3si7C-2c47A:
undetectable
3si7D-2c47A:
undetectable		 3si7C-2c47A:
21.08
3si7D-2c47A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 LEU A 123
LEU A 138
GLY A 137
GLY A 116
 None
 0.80A 3si7C-2d3tA:
undetectable
3si7D-2d3tA:
undetectable		 3si7C-2d3tA:
19.27
3si7D-2d3tA:
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.
2hes YDR267CP

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 LEU X 122
GLY X  76
GLY X 112
THR X 124
 None
 0.75A 3si7C-2hesX:
undetectable
3si7D-2hesX:
undetectable		 3si7C-2hesX:
20.30
3si7D-2hesX:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lc4 PILP PROTEIN

(Pseudomonas
aeruginosa) 		PF04351
(PilP) 		4 LEU A  97
LEU A  62
GLY A  63
GLY A  67
 None
 0.66A 3si7C-2lc4A:
undetectable
3si7D-2lc4A:
undetectable		 3si7C-2lc4A:
18.88
3si7D-2lc4A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppy ENOYL-COA HYDRATASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		4 LEU A 121
LEU A 137
GLY A 136
GLY A 114
 None
 0.82A 3si7C-2ppyA:
undetectable
3si7D-2ppyA:
undetectable		 3si7C-2ppyA:
22.08
3si7D-2ppyA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2g HEAT SHOCK 40 KDA
PROTEIN, PUTATIVE
(FRAGMENT)

(Cryptosporidium
parvum) 		PF01556
(DnaJ_C) 		4 LEU A 122
LEU A 155
GLY A 142
THR A 116
 None
 0.81A 3si7C-2q2gA:
undetectable
3si7D-2q2gA:
undetectable		 3si7C-2q2gA:
20.69
3si7D-2q2gA:
20.69
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.
2qkx BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		4 LEU A 349
GLY A 350
GLY A 353
THR A 370
 None
 0.70A 3si7C-2qkxA:
undetectable
3si7D-2qkxA:
undetectable		 3si7C-2qkxA:
21.16
3si7D-2qkxA:
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 LEU A 106
LEU A 121
GLY A 120
GLY A  99
 None
None
None
COA  A 760 ( 4.0A)
 0.75A 3si7C-2x58A:
undetectable
3si7D-2x58A:
undetectable		 3si7C-2x58A:
18.23
3si7D-2x58A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		4 LEU A 191
GLY A  43
GLY A 436
THR A 434
 None
None
None
SO4  A1481 (-4.0A)
 0.83A 3si7C-2xhyA:
undetectable
3si7D-2xhyA:
undetectable		 3si7C-2xhyA:
18.30
3si7D-2xhyA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xi1 NEF

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		4 LEU A 198
GLY A 132
GLY A 130
THR A 128
 None
 0.71A 3si7C-2xi1A:
undetectable
3si7D-2xi1A:
undetectable		 3si7C-2xi1A:
18.34
3si7D-2xi1A:
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.
2zgi PUTATIVE
4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Thermus
thermophilus) 		PF01063
(Aminotran_4) 		4 LEU A 149
GLY A 148
GLY A 160
THR A 163
 None
 0.81A 3si7C-2zgiA:
undetectable
3si7D-2zgiA:
undetectable		 3si7C-2zgiA:
21.60
3si7D-2zgiA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zqq METHYLGLUTACONYL-COA
HYDRATASE

(Homo sapiens) 		PF00378
(ECH_1) 		4 LEU A 192
LEU A 207
GLY A 206
GLY A 185
 None
 0.76A 3si7C-2zqqA:
undetectable
3si7D-2zqqA:
undetectable		 3si7C-2zqqA:
20.55
3si7D-2zqqA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		4 LEU A 310
LEU A 269
GLY A 268
GLY A 270
 None
 0.71A 3si7C-2zukA:
undetectable
3si7D-2zukA:
undetectable		 3si7C-2zukA:
20.14
3si7D-2zukA:
20.14
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 LEU A 215
LEU A 194
GLY A 195
GLY A 193
 None
 0.68A 3si7C-3af5A:
undetectable
3si7D-3af5A:
undetectable		 3si7C-3af5A:
18.24
3si7D-3af5A:
18.24
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.
3aw8 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermus
thermophilus) 		PF02222
(ATP-grasp) 		4 LEU A 287
LEU A  21
GLY A  22
GLY A  18
 None
 0.81A 3si7C-3aw8A:
undetectable
3si7D-3aw8A:
undetectable		 3si7C-3aw8A:
22.59
3si7D-3aw8A:
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.
3dcf TRANSCRIPTIONAL
REGULATOR OF THE
TETR/ACRR FAMILY

(Thermobifida
fusca) 		PF00440
(TetR_N) 		4 LEU A 111
LEU A 180
GLY A 181
THR A 115
 None
 0.80A 3si7C-3dcfA:
undetectable
3si7D-3dcfA:
undetectable		 3si7C-3dcfA:
21.11
3si7D-3dcfA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eoe PYRUVATE KINASE

(Toxoplasma
gondii) 		PF00224
(PK)
PF02887
(PK_C) 		4 LEU A 214
LEU A 243
GLY A 244
GLY A 247
 None
 0.70A 3si7C-3eoeA:
undetectable
3si7D-3eoeA:
0.9		 3si7C-3eoeA:
20.27
3si7D-3eoeA:
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.
3gdw SIGMA-54 INTERACTION
DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF03610
(EIIA-man) 		5 LEU A 622
LEU A 602
GLY A 546
GLY A 605
THR A 630
 None
 1.29A 3si7C-3gdwA:
undetectable
3si7D-3gdwA:
undetectable		 3si7C-3gdwA:
21.38
3si7D-3gdwA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l CYTOCHROME B

(Gallus gallus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 LEU C 302
LEU C 103
GLY C 100
GLY C 102
 HEM  C 502 ( 4.9A)
None
PEE  C2007 ( 4.1A)
None
 0.80A 3si7C-3h1lC:
undetectable
3si7D-3h1lC:
undetectable		 3si7C-3h1lC:
22.76
3si7D-3h1lC:
22.76
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.
3h5t TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Corynebacterium
glutamicum) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 LEU A  40
LEU A  19
GLY A  20
THR A  25
 None
 0.66A 3si7C-3h5tA:
undetectable
3si7D-3h5tA:
undetectable		 3si7C-3h5tA:
18.80
3si7D-3h5tA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbx GLUTAMATE
DECARBOXYLASE 1

(Arabidopsis
thaliana) 		PF00282
(Pyridoxal_deC) 		4 LEU A 259
LEU A 210
GLY A 211
GLY A 248
 None
 0.81A 3si7C-3hbxA:
undetectable
3si7D-3hbxA:
undetectable		 3si7C-3hbxA:
19.64
3si7D-3hbxA:
19.64
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LEU A 919
LEU A 883
GLY A 884
GLY A 882
 None
 0.75A 3si7C-3ho8A:
undetectable
3si7D-3ho8A:
undetectable		 3si7C-3ho8A:
13.09
3si7D-3ho8A:
13.09
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.
3hvu HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
anthracis) 		PF00156
(Pribosyltran) 		4 LEU A 129
LEU A 158
GLY A 155
GLY A 157
 None
 0.79A 3si7C-3hvuA:
undetectable
3si7D-3hvuA:
undetectable		 3si7C-3hvuA:
20.14
3si7D-3hvuA:
20.14
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 LEU A 343
GLY A 342
GLY A 367
THR A 369
 None
PO4  A 511 (-3.5A)
PO4  A 511 ( 4.1A)
None
 0.64A 3si7C-3hz6A:
undetectable
3si7D-3hz6A:
undetectable		 3si7C-3hz6A:
20.08
3si7D-3hz6A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		4 LEU A  17
GLY A  16
GLY A 123
THR A 121
 None
NDP  A 163 (-3.4A)
None
None
 0.72A 3si7C-3ia4A:
undetectable
3si7D-3ia4A:
undetectable		 3si7C-3ia4A:
17.77
3si7D-3ia4A:
17.77
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.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
furiosus) 		PF07969
(Amidohydro_3) 		4 LEU A 272
LEU A 341
GLY A 340
GLY A 281
 None
 0.83A 3si7C-3icjA:
undetectable
3si7D-3icjA:
undetectable		 3si7C-3icjA:
20.78
3si7D-3icjA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE

(Ruegeria
pomeroyi) 		PF12692
(Methyltransf_17) 		4 LEU A  48
GLY A  49
GLY A  51
THR A  53
 None
SAM  A 200 (-3.2A)
SAM  A 200 (-3.7A)
SAM  A 200 (-3.4A)
 0.65A 3si7C-3ihtA:
undetectable
3si7D-3ihtA:
undetectable		 3si7C-3ihtA:
22.10
3si7D-3ihtA:
22.10
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.
3kip 3-DEHYDROQUINASE,
TYPE II

(Candida
albicans) 		PF01220
(DHquinase_II) 		4 LEU A 130
GLY A 131
GLY A 134
THR A 136
 None
 0.80A 3si7C-3kipA:
undetectable
3si7D-3kipA:
undetectable		 3si7C-3kipA:
20.65
3si7D-3kipA:
20.65
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.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		4 LEU A 119
LEU A 134
GLY A 133
GLY A 112
 None
 0.70A 3si7C-3kqfA:
undetectable
3si7D-3kqfA:
undetectable		 3si7C-3kqfA:
22.80
3si7D-3kqfA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m6m RPFF PROTEIN

(Xanthomonas
campestris) 		PF00378
(ECH_1) 		4 LEU A 144
LEU A 159
GLY A 158
GLY A 137
 None
None
None
EDO  A 902 (-3.6A)
 0.81A 3si7C-3m6mA:
undetectable
3si7D-3m6mA:
undetectable		 3si7C-3m6mA:
21.76
3si7D-3m6mA:
21.76
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.
3mtj HOMOSERINE
DEHYDROGENASE

(Thiobacillus
denitrificans) 		PF00742
(Homoserine_dh)
PF01842
(ACT)
PF03447
(NAD_binding_3) 		4 LEU A  11
GLY A  12
GLY A  16
THR A  18
 None
 0.78A 3si7C-3mtjA:
undetectable
3si7D-3mtjA:
undetectable		 3si7C-3mtjA:
20.27
3si7D-3mtjA:
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.
3mwy CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF00385
(Chromo) 		4 LEU W 606
LEU W 405
GLY W 404
GLY W 406
 None
None
AGS  W2000 (-3.1A)
AGS  W2000 (-3.3A)
 0.82A 3si7C-3mwyW:
0.0
3si7D-3mwyW:
undetectable		 3si7C-3mwyW:
16.90
3si7D-3mwyW:
16.90
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.
3ova CCA-ADDING ENZYME

(Archaeoglobus
fulgidus) 		PF01909
(NTP_transf_2)
PF09249
(tRNA_NucTransf2) 		4 LEU A 329
LEU A 400
GLY A 401
GLY A 405
 None
None
G  C   2 ( 3.4A)
None
 0.70A 3si7C-3ovaA:
undetectable
3si7D-3ovaA:
undetectable		 3si7C-3ovaA:
21.28
3si7D-3ovaA:
21.28
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.
3qdk RIBULOKINASE

(Bacillus
halodurans) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 LEU A 380
GLY A 379
GLY A 404
THR A 406
 None
 0.80A 3si7C-3qdkA:
undetectable
3si7D-3qdkA:
undetectable		 3si7C-3qdkA:
20.55
3si7D-3qdkA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 LEU A 123
LEU A 138
GLY A 137
GLY A 116
 None
 0.77A 3si7C-3r0oA:
undetectable
3si7D-3r0oA:
undetectable		 3si7C-3r0oA:
23.64
3si7D-3r0oA:
23.64
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.
3r9s CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 LEU A 117
LEU A 132
GLY A 131
GLY A 110
 None
None
None
BEZ  A 264 ( 4.7A)
 0.70A 3si7C-3r9sA:
undetectable
3si7D-3r9sA:
undetectable		 3si7C-3r9sA:
21.40
3si7D-3r9sA:
21.40
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.
3t69 PUTATIVE
2-DEHYDRO-3-DEOXYGAL
ACTONOKINASE

(Sinorhizobium
meliloti) 		PF05035
(DGOK) 		4 LEU A 298
GLY A  71
GLY A 127
THR A 130
 None
 0.83A 3si7C-3t69A:
undetectable
3si7D-3t69A:
undetectable		 3si7C-3t69A:
20.64
3si7D-3t69A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		4 LEU A 520
GLY A 524
GLY A 505
THR A 473
 None
 0.81A 3si7C-3t8lA:
undetectable
3si7D-3t8lA:
undetectable		 3si7C-3t8lA:
17.02
3si7D-3t8lA:
17.02
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.
3tb6 ARABINOSE METABOLISM
TRANSCRIPTIONAL
REPRESSOR

(Bacillus
subtilis) 		PF13377
(Peripla_BP_3) 		4 LEU A 132
LEU A 139
GLY A 138
GLY A  83
 None
 0.84A 3si7C-3tb6A:
undetectable
3si7D-3tb6A:
1.3		 3si7C-3tb6A:
22.87
3si7D-3tb6A:
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.
3vn3 ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		4 LEU A 190
LEU A   8
GLY A   9
GLY A  12
 IYR  A  91 ( 4.0A)
EDO  A 301 ( 4.9A)
None
None
 0.83A 3si7C-3vn3A:
undetectable
3si7D-3vn3A:
undetectable		 3si7C-3vn3A:
23.43
3si7D-3vn3A:
23.43
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.
3wgo MESO-DIAMINOPIMELATE
DEHYDROGENASE

(Clostridium
tetani) 		PF16654
(DAPDH_C) 		4 LEU A  50
GLY A  13
GLY A  11
THR A  36
 None
 0.77A 3si7C-3wgoA:
undetectable
3si7D-3wgoA:
undetectable		 3si7C-3wgoA:
22.16
3si7D-3wgoA:
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.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		4 LEU A 340
LEU A  66
GLY A  64
GLY A 318
 None
 0.75A 3si7C-3wrtA:
undetectable
3si7D-3wrtA:
undetectable		 3si7C-3wrtA:
21.74
3si7D-3wrtA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwp (S)-HYDROXYNITRILE
LYASE

(Baliospermum
montanum) 		PF00561
(Abhydrolase_1) 		4 LEU A 183
LEU A 106
GLY A  83
GLY A  81
 None
 0.70A 3si7C-3wwpA:
undetectable
3si7D-3wwpA:
undetectable		 3si7C-3wwpA:
22.69
3si7D-3wwpA:
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		4 LEU A 556
GLY A 507
GLY A 485
THR A 560
 None
 0.80A 3si7C-4aahA:
undetectable
3si7D-4aahA:
undetectable		 3si7C-4aahA:
18.78
3si7D-4aahA:
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.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		4 LEU A   4
LEU A  34
GLY A  35
THR A  40
 None
 0.80A 3si7C-4ac0A:
undetectable
3si7D-4ac0A:
undetectable		 3si7C-4ac0A:
23.10
3si7D-4ac0A:
23.10
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.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		4 LEU A  52
LEU A  25
GLY A  24
GLY A  21
 None
 0.81A 3si7C-4ac0A:
undetectable
3si7D-4ac0A:
undetectable		 3si7C-4ac0A:
23.10
3si7D-4ac0A:
23.10
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 LEU A 122
LEU A 139
GLY A 138
GLY A 115
 None
None
None
COA  A1730 ( 3.9A)
 0.78A 3si7C-4b3iA:
undetectable
3si7D-4b3iA:
undetectable		 3si7C-4b3iA:
17.36
3si7D-4b3iA:
17.36
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.
4bx0 PYRIDOXAL PHOSPHATE
PHOSPHATASE

(Mus musculus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 LEU A 129
LEU A 118
GLY A 117
GLY A 115
 None
 0.82A 3si7C-4bx0A:
undetectable
3si7D-4bx0A:
undetectable		 3si7C-4bx0A:
21.81
3si7D-4bx0A:
21.81
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.
4ckg ARF-GAP WITH
COILED-COIL, ANK
REPEAT AND PH
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00169
(PH)
PF16746
(BAR_3) 		4 LEU A  98
LEU A  45
GLY A  44
GLY A  42
 None
 0.74A 3si7C-4ckgA:
undetectable
3si7D-4ckgA:
undetectable		 3si7C-4ckgA:
21.56
3si7D-4ckgA:
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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		4 LEU A 237
GLY A 186
GLY A 184
THR A 182
 None
GOL  A 405 ( 4.2A)
GOL  A 405 (-3.5A)
None
 0.80A 3si7C-4ctaA:
undetectable
3si7D-4ctaA:
undetectable		 3si7C-4ctaA:
21.34
3si7D-4ctaA:
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.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		4 LEU A  52
LEU A  25
GLY A  24
GLY A  21
 None
 0.85A 3si7C-4d5cA:
undetectable
3si7D-4d5cA:
undetectable		 3si7C-4d5cA:
21.83
3si7D-4d5cA:
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.
4en2 PROTEIN NEF

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		4 LEU B 198
GLY B 132
GLY B 130
THR B 128
 None
 0.69A 3si7C-4en2B:
undetectable
3si7D-4en2B:
undetectable		 3si7C-4en2B:
18.60
3si7D-4en2B:
18.60
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 LEU A  40
LEU A  57
GLY A  56
GLY A 310
 None
 0.82A 3si7C-4evqA:
undetectable
3si7D-4evqA:
undetectable		 3si7C-4evqA:
22.22
3si7D-4evqA:
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.
4fzw 2,3-DEHYDROADIPYL-CO
A HYDRATASE

(Escherichia
coli) 		PF00378
(ECH_1) 		4 LEU A 112
LEU A 127
GLY A 126
GLY A 105
 None
 0.78A 3si7C-4fzwA:
undetectable
3si7D-4fzwA:
undetectable		 3si7C-4fzwA:
22.98
3si7D-4fzwA:
22.98
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		4 LEU N 334
LEU N 376
GLY N 377
GLY N 379
 None
 0.80A 3si7C-4heaN:
undetectable
3si7D-4heaN:
undetectable		 3si7C-4heaN:
18.97
3si7D-4heaN:
18.97
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.
4hwv PECTATE LYASE/AMB
ALLERGEN

(Acidovorax
citrulli) 		PF00544
(Pec_lyase_C) 		4 LEU A  35
GLY A  52
GLY A  50
THR A  48
 None
 0.79A 3si7C-4hwvA:
undetectable
3si7D-4hwvA:
undetectable		 3si7C-4hwvA:
17.62
3si7D-4hwvA:
17.62
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 LEU A 156
LEU A 375
GLY A 371
GLY A 367
 None
 0.82A 3si7C-4lglA:
undetectable
3si7D-4lglA:
0.9		 3si7C-4lglA:
13.96
3si7D-4lglA:
13.96
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.
4nwv CAPSID PROTEIN

(Orsay virus) 		PF11729
(Capsid-VNN) 		4 LEU A 207
LEU A  84
GLY A  85
THR A 165
 None
 0.80A 3si7C-4nwvA:
undetectable
3si7D-4nwvA:
undetectable		 3si7C-4nwvA:
18.67
3si7D-4nwvA:
18.67
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.
4nww CAPSID PROTEIN

(Orsay virus) 		PF11729
(Capsid-VNN) 		4 LEU A 207
LEU A  84
GLY A  85
THR A 165
 None
 0.78A 3si7C-4nwwA:
undetectable
3si7D-4nwwA:
undetectable		 3si7C-4nwwA:
18.90
3si7D-4nwwA:
18.90
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.
4orz PROTEIN NEF

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		4 LEU B 202
GLY B 136
GLY B 134
THR B 132
 None
 0.67A 3si7C-4orzB:
undetectable
3si7D-4orzB:
undetectable		 3si7C-4orzB:
18.95
3si7D-4orzB:
18.95
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.
4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00156
(Pribosyltran) 		4 LEU A 151
LEU A 181
GLY A 178
GLY A 180
 LEU  A 151 ( 0.5A)
LEU  A 181 (-0.5A)
GLY  A 178 ( 0.0A)
GLY  A 180 ( 0.0A)
 0.81A 3si7C-4rhyA:
undetectable
3si7D-4rhyA:
undetectable		 3si7C-4rhyA:
23.29
3si7D-4rhyA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk6 GLUCOSE-RESISTANCE
AMYLASE REGULATOR

(Weissella
paramesenteroides) 		PF13377
(Peripla_BP_3) 		4 LEU A 123
LEU A  82
GLY A  81
GLY A 298
 None
 0.84A 3si7C-4rk6A:
undetectable
3si7D-4rk6A:
undetectable		 3si7C-4rk6A:
21.54
3si7D-4rk6A:
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.
4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E

(Streptomyces
argillaceus) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		4 LEU A 360
LEU A 384
GLY A 326
GLY A 324
 None
None
CSO  A 349 ( 3.0A)
None
 0.76A 3si7C-4rvhA:
undetectable
3si7D-4rvhA:
1.6		 3si7C-4rvhA:
21.33
3si7D-4rvhA:
21.33
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.
4wjs RSA4

(Chaetomium
thermophilum) 		PF00400
(WD40) 		4 LEU A 204
GLY A 165
GLY A 194
THR A 206
 None
 0.81A 3si7C-4wjsA:
undetectable
3si7D-4wjsA:
undetectable		 3si7C-4wjsA:
22.24
3si7D-4wjsA:
22.24
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00144
(Beta-lactamase) 		4 LEU A 133
GLY A 285
GLY A 295
THR A 137
 None
 0.76A 3si7C-4x68A:
undetectable
3si7D-4x68A:
undetectable		 3si7C-4x68A:
21.07
3si7D-4x68A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE

(Caulobacter
vibrioides) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 LEU A 276
LEU A 151
GLY A 152
GLY A 254
 None
 0.84A 3si7C-5a05A:
undetectable
3si7D-5a05A:
undetectable		 3si7C-5a05A:
19.43
3si7D-5a05A:
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.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		4 LEU A 241
LEU A 191
GLY A 189
GLY A 187
 None
 0.74A 3si7C-5cm5A:
undetectable
3si7D-5cm5A:
undetectable		 3si7C-5cm5A:
22.91
3si7D-5cm5A:
22.91
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.
5d0n PYRUVATE, PHOSPHATE
DIKINASE REGULATORY
PROTEIN,
CHLOROPLASTIC

(Zea mays) 		PF03618
(Kinase-PPPase) 		4 LEU A 229
GLY A 146
GLY A 148
THR A 150
 None
AMP  A 501 (-3.6A)
MG  A 502 ( 3.3A)
AMP  A 501 ( 3.6A)
 0.61A 3si7C-5d0nA:
undetectable
3si7D-5d0nA:
undetectable		 3si7C-5d0nA:
21.45
3si7D-5d0nA:
21.45
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 LEU A  71
GLY A  72
GLY A  50
THR A  65
 None
 0.79A 3si7C-5gy0A:
undetectable
3si7D-5gy0A:
undetectable		 3si7C-5gy0A:
17.65
3si7D-5gy0A:
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		4 LEU L  93
LEU L 167
GLY L 166
GLY L 163
 None
None
None
FAD  L 503 (-3.2A)
 0.78A 3si7C-5jfcL:
undetectable
3si7D-5jfcL:
undetectable		 3si7C-5jfcL:
21.34
3si7D-5jfcL:
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.
5jze RNA-DEPENDENT RNA
POLYMERASE

(Thiafora
orthonairovirus) 		PF02338
(OTU) 		4 LEU A 106
LEU A  85
GLY A  86
GLY A  84
 None
 0.69A 3si7C-5jzeA:
undetectable
3si7D-5jzeA:
undetectable		 3si7C-5jzeA:
19.27
3si7D-5jzeA:
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 4 LEU B 292
GLY B 342
GLY B 340
THR B 818
 None
 0.83A 3si7C-5khnB:
undetectable
3si7D-5khnB:
undetectable		 3si7C-5khnB:
15.62
3si7D-5khnB:
15.62
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.
5l7v GLYCOSIDE HYDROLASE

(Bacteroides
vulgatus) 		PF13320
(DUF4091) 		4 LEU A 500
LEU A 203
GLY A 240
THR A 504
 None
 0.80A 3si7C-5l7vA:
undetectable
3si7D-5l7vA:
undetectable		 3si7C-5l7vA:
20.36
3si7D-5l7vA:
20.36
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.
5m3q EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6

(Chaetomium
thermophilum) 		PF01912
(eIF-6) 		4 LEU A  70
GLY A  69
GLY A  65
THR A  20
 None
 0.68A 3si7C-5m3qA:
undetectable
3si7D-5m3qA:
undetectable		 3si7C-5m3qA:
20.06
3si7D-5m3qA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		4 LEU A 310
LEU A 269
GLY A 268
GLY A 270
 None
 0.73A 3si7C-5m49A:
undetectable
3si7D-5m49A:
undetectable		 3si7C-5m49A:
20.09
3si7D-5m49A:
20.09
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		4 LEU A 382
LEU A 136
GLY A 137
GLY A 135
 None
 0.74A 3si7C-5o1mA:
undetectable
3si7D-5o1mA:
undetectable		 3si7C-5o1mA:
21.64
3si7D-5o1mA:
21.64
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.
5ode GLL2934 PROTEIN

(Gloeobacter
violaceus) 		no annotation 4 LEU A  70
LEU A  28
GLY A  27
GLY A  23
 None
None
None
FAD  A 400 (-3.8A)
 0.66A 3si7C-5odeA:
undetectable
3si7D-5odeA:
undetectable		 3si7C-5odeA:
22.35
3si7D-5odeA:
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.
5tlc DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME A

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		4 LEU A 326
LEU A 310
GLY A 309
GLY A 365
 None
 0.84A 3si7C-5tlcA:
undetectable
3si7D-5tlcA:
undetectable		 3si7C-5tlcA:
22.27
3si7D-5tlcA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		4 LEU A 413
LEU A 163
GLY A 164
GLY A 424
 None
 0.84A 3si7C-5tr1A:
undetectable
3si7D-5tr1A:
undetectable		 3si7C-5tr1A:
17.46
3si7D-5tr1A:
17.46
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.
5us8 ARGININOSUCCINATE
SYNTHASE

(Bordetella
pertussis) 		PF00764
(Arginosuc_synth) 		4 LEU A 249
LEU A 299
GLY A 296
GLY A 268
 None
 0.67A 3si7C-5us8A:
undetectable
3si7D-5us8A:
undetectable		 3si7C-5us8A:
20.88
3si7D-5us8A:
20.88
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.
5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A

(Homo sapiens) 		PF00628
(PHD)
PF01388
(ARID)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
PF08429
(PLU-1) 		4 LEU A 146
GLY A 147
GLY A 143
THR A 154
 None
 0.70A 3si7C-5v9pA:
undetectable
3si7D-5v9pA:
undetectable		 3si7C-5v9pA:
16.43
3si7D-5v9pA:
16.43
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		4 LEU A  93
LEU A 167
GLY A 166
GLY A 163
 None
None
None
FAD  A 503 (-3.4A)
 0.79A 3si7C-5vj7A:
undetectable
3si7D-5vj7A:
undetectable		 3si7C-5vj7A:
21.22
3si7D-5vj7A:
21.22
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.
5zai -

(-) 		no annotation 4 LEU A 116
LEU A 131
GLY A 130
GLY A 109
 None
None
None
COA  A 301 ( 4.2A)
 0.80A 3si7C-5zaiA:
undetectable
3si7D-5zaiA:
undetectable		 3si7C-5zaiA:
undetectable
3si7D-5zaiA:
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.
6d6q EXOSOME COMPLEX
COMPONENT RRP40

(Homo sapiens) 		no annotation 4 LEU G  86
LEU G  71
GLY G  68
GLY G  70
 None
 0.84A 3si7C-6d6qG:
undetectable
3si7D-6d6qG:
undetectable		 3si7C-6d6qG:
undetectable
3si7D-6d6qG:
undetectable