SIMILAR PATTERNS OF AMINO ACIDS FOR 2YY8_B_SAMB500

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.
1b1c PROTEIN
(NADPH-CYTOCHROME
P450 REDUCTASE)

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		6 HIS A 170
LEU A  65
VAL A 106
GLY A 105
ILE A  68
ALA A  71
 None
 1.31A 2yy8A-1b1cA:
3.0
2yy8B-1b1cA:
undetectable		 2yy8A-1b1cA:
18.01
2yy8B-1b1cA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fc9 PHOTOSYSTEM II D1
PROTEASE

(Tetradesmus
obliquus) 		PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 LEU A 165
VAL A 163
GLY A 162
VAL A 250
ILE A 167
 None
 1.18A 2yy8A-1fc9A:
undetectable
2yy8B-1fc9A:
undetectable		 2yy8A-1fc9A:
18.21
2yy8B-1fc9A:
18.21
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.
1fs0 ATP SYNTHASE GAMMA
SUBUNIT

(Escherichia
coli) 		PF00231
(ATP-synt) 		5 LEU G 236
VAL G 233
GLY G 231
GLU G 234
ALA G 237
 None
 1.11A 2yy8A-1fs0G:
2.4
2yy8B-1fs0G:
undetectable		 2yy8A-1fs0G:
21.60
2yy8B-1fs0G:
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.
1idt MINOR FMN-DEPENDENT
NITROREDUCTASE

(Escherichia
coli) 		PF00881
(Nitroreductase) 		5 LEU A 157
VAL A 154
LYS A   9
VAL A   6
HIS A 193
 None
 1.06A 2yy8A-1idtA:
undetectable
2yy8B-1idtA:
undetectable		 2yy8A-1idtA:
26.72
2yy8B-1idtA:
26.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jbk CLPB PROTEIN

(Escherichia
coli) 		PF00004
(AAA) 		5 LEU A 219
VAL A 216
ILE A 223
GLU A 217
ALA A 220
 None
 1.08A 2yy8A-1jbkA:
undetectable
2yy8B-1jbkA:
undetectable		 2yy8A-1jbkA:
24.68
2yy8B-1jbkA:
24.68
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.
1o8b RIBOSE 5-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF06026
(Rib_5-P_isom_A) 		5 MET A 182
GLY A 196
VAL A 133
ILE A 180
ALA A 199
 None
 1.10A 2yy8A-1o8bA:
undetectable
2yy8B-1o8bA:
undetectable		 2yy8A-1o8bA:
23.73
2yy8B-1o8bA:
23.73
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		5 LEU A  20
VAL A  17
GLY A  15
GLU A  18
ALA A  21
 None
 1.02A 2yy8A-1on9A:
undetectable
2yy8B-1on9A:
3.7		 2yy8A-1on9A:
18.64
2yy8B-1on9A:
18.64
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.
1pw4 GLYCEROL-3-PHOSPHATE
TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 MET A 329
VAL A 356
GLY A 358
ILE A 334
ALA A 335
 None
 1.03A 2yy8A-1pw4A:
undetectable
2yy8B-1pw4A:
undetectable		 2yy8A-1pw4A:
17.79
2yy8B-1pw4A:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfj 3-DEHYDROQUINATE
DEHYDRATASE

(Staphylococcus
aureus) 		PF01487
(DHquinase_I) 		5 HIS A 133
LEU A 144
GLY A 191
VAL A 189
HIS A 132
 DHK  A 239 (-4.8A)
None
None
None
None
 1.15A 2yy8A-1sfjA:
undetectable
2yy8B-1sfjA:
2.6		 2yy8A-1sfjA:
19.69
2yy8B-1sfjA:
19.69
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		5 VAL A 333
GLY A 334
LYS A 307
ILE A  94
ALA A  95
 FMN  A1398 (-4.5A)
FMN  A1398 (-3.6A)
None
None
FMN  A1398 (-3.4A)
 1.14A 2yy8A-1uuoA:
undetectable
2yy8B-1uuoA:
2.1		 2yy8A-1uuoA:
21.61
2yy8B-1uuoA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xhc NADH OXIDASE
/NITRITE REDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2) 		5 MET A  40
GLY A 305
ILE A  45
GLU A 156
ALA A  46
 None
 1.11A 2yy8A-1xhcA:
4.1
2yy8B-1xhcA:
3.7		 2yy8A-1xhcA:
20.33
2yy8B-1xhcA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bej SEGREGATION PROTEIN

(Thermus
thermophilus) 		PF13614
(AAA_31) 		5 LEU A 171
VAL A 137
GLY A 136
LYS A   5
VAL A   6
 None
 1.18A 2yy8A-2bejA:
undetectable
2yy8B-2bejA:
undetectable		 2yy8A-2bejA:
22.88
2yy8B-2bejA:
22.88
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.
2cja SERYL-TRNA
SYNTHETASE

(Methanosarcina
barkeri) 		no annotation 5 LEU A 133
GLY A 136
VAL A  98
ILE A 119
GLU A 139
 None
 1.08A 2yy8A-2cjaA:
undetectable
2yy8B-2cjaA:
undetectable		 2yy8A-2cjaA:
15.90
2yy8B-2cjaA:
15.90
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.
2dbc UNNAMED PROTEIN
PRODUCT

(Mus musculus) 		PF02114
(Phosducin) 		5 VAL A  86
VAL A  24
ILE A 122
GLU A  93
ALA A 121
 None
 1.04A 2yy8A-2dbcA:
undetectable
2yy8B-2dbcA:
undetectable		 2yy8A-2dbcA:
19.39
2yy8B-2dbcA:
19.39
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.
2gqf HYPOTHETICAL PROTEIN
HI0933

(Haemophilus
influenzae) 		PF03486
(HI0933_like) 		5 LEU A 321
VAL A 318
ILE A 325
HIS A 326
GLU A 268
 None
 0.87A 2yy8A-2gqfA:
2.9
2yy8B-2gqfA:
2.8		 2yy8A-2gqfA:
20.24
2yy8B-2gqfA:
20.24
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.
2ji4 PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 2

(Homo sapiens) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 LEU A  22
GLY A  47
VAL A  49
ILE A  38
ALA A  39
 None
 1.10A 2yy8A-2ji4A:
undetectable
2yy8B-2ji4A:
2.9		 2yy8A-2ji4A:
18.06
2yy8B-2ji4A:
18.06
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.
2l81 ENHANCER OF
FILAMENTATION 1

(Homo sapiens) 		PF08824
(Serine_rich) 		5 HIS A 109
LEU A  40
VAL A  65
GLU A  69
ALA A 148
 None
 1.05A 2yy8A-2l81A:
undetectable
2yy8B-2l81A:
undetectable		 2yy8A-2l81A:
21.78
2yy8B-2l81A:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o3a UPF0106 PROTEIN
AF_0751

(Archaeoglobus
fulgidus) 		PF01994
(Trm56) 		8 LEU A  79
MET A  81
VAL A 103
GLY A 104
ILE A 122
HIS A 127
GLU A 129
ALA A 132
 None
 0.47A 2yy8A-2o3aA:
25.4
2yy8B-2o3aA:
25.4		 2yy8A-2o3aA:
56.37
2yy8B-2o3aA:
56.37
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.
2oce HYPOTHETICAL PROTEIN
PA5201

(Pseudomonas
aeruginosa) 		PF00575
(S1)
PF09371
(Tex_N)
PF12836
(HHH_3)
PF16921
(Tex_YqgF) 		5 LEU A 239
VAL A 238
GLY A 237
ILE A 230
GLU A 236
 None
 0.96A 2yy8A-2oceA:
undetectable
2yy8B-2oceA:
4.0		 2yy8A-2oceA:
14.38
2yy8B-2oceA:
14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p65 HYPOTHETICAL PROTEIN
PF08_0063

(Plasmodium
falciparum) 		PF00004
(AAA) 		5 LEU A  63
VAL A  60
ILE A  67
GLU A  61
ALA A  64
 None
 1.13A 2yy8A-2p65A:
undetectable
2yy8B-2p65A:
undetectable		 2yy8A-2p65A:
23.15
2yy8B-2p65A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 LEU A 485
GLY A 465
LYS A 508
VAL A 507
ALA A 459
 None
 1.14A 2yy8A-2w8qA:
3.3
2yy8B-2w8qA:
4.1		 2yy8A-2w8qA:
16.90
2yy8B-2w8qA:
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.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 157
GLY A  20
VAL A  31
ILE A 158
ALA A 159
 None
None
None
None
FAD  A1487 (-4.4A)
 1.14A 2yy8A-2x50A:
undetectable
2yy8B-2x50A:
4.0		 2yy8A-2x50A:
18.69
2yy8B-2x50A:
18.69
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.
2xuz IRON-UPTAKE
SYSTEM-BINDING
PROTEIN

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		5 LEU A  53
GLY A 142
ILE A 150
GLU A 144
ALA A 147
 None
 1.19A 2yy8A-2xuzA:
2.7
2yy8B-2xuzA:
2.5		 2yy8A-2xuzA:
22.53
2yy8B-2xuzA:
22.53
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.
2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Aquifex
aeolicus) 		PF00551
(Formyl_trans_N) 		5 LEU A  76
VAL A  81
GLY A  80
ILE A  35
GLU A  32
 None
None
None
None
CO  A 766 ( 4.9A)
 1.03A 2yy8A-2ywrA:
2.7
2yy8B-2ywrA:
undetectable		 2yy8A-2ywrA:
26.56
2yy8B-2ywrA:
26.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yy8 UPF0106 PROTEIN
PH0461

(Pyrococcus
horikoshii) 		PF01994
(Trm56) 		10 LEU A  80
MET A  82
VAL A 108
GLY A 109
LYS A 112
VAL A 113
ILE A 127
HIS A 132
GLU A 134
ALA A 137
 MTA  A 400 (-4.2A)
MTA  A 400 (-4.9A)
MTA  A 400 ( 3.7A)
MTA  A 400 (-3.3A)
None
None
MTA  A 400 (-4.3A)
MTA  A 400 (-3.7A)
MTA  A 400 (-4.0A)
MTA  A 400 (-3.5A)
 0.38A 2yy8A-2yy8A:
34.4
2yy8B-2yy8A:
31.9		 2yy8A-2yy8A:
100.00
2yy8B-2yy8A:
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.
2zgh GRANZYME M

(Homo sapiens) 		PF00089
(Trypsin) 		5 HIS A  41
LEU A 186
GLY A 184
VAL A  29
ALA A 214
 None
 1.09A 2yy8A-2zghA:
undetectable
2yy8B-2zghA:
undetectable		 2yy8A-2zghA:
21.32
2yy8B-2zghA:
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 410
VAL A 426
GLY A 425
ILE A 305
GLU A 427
 None
 1.18A 2yy8A-3gdnA:
undetectable
2yy8B-3gdnA:
undetectable		 2yy8A-3gdnA:
15.85
2yy8B-3gdnA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		5 LEU A 215
GLY A 210
VAL A 259
ILE A 219
ALA A 216
 None
 1.02A 2yy8A-3h74A:
undetectable
2yy8B-3h74A:
undetectable		 2yy8A-3h74A:
23.55
2yy8B-3h74A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jq0 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 HIS A  51
LEU A 135
ILE A 117
GLU A 137
ALA A 138
 None
 1.19A 2yy8A-3jq0A:
undetectable
2yy8B-3jq0A:
undetectable		 2yy8A-3jq0A:
18.45
2yy8B-3jq0A:
18.45
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.
3k53 FERROUS IRON
TRANSPORT PROTEIN B

(Pyrococcus
furiosus) 		PF02421
(FeoB_N) 		5 LEU A  57
VAL A   9
GLY A  10
ILE A  72
ALA A  73
 None
 0.92A 2yy8A-3k53A:
2.1
2yy8B-3k53A:
undetectable		 2yy8A-3k53A:
23.38
2yy8B-3k53A:
23.38
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.
3kc2 UNCHARACTERIZED
PROTEIN YKR070W

(Saccharomyces
cerevisiae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 LEU A  97
VAL A  99
GLY A 100
VAL A 104
ILE A 122
 None
 1.17A 2yy8A-3kc2A:
4.5
2yy8B-3kc2A:
4.2		 2yy8A-3kc2A:
20.98
2yy8B-3kc2A:
20.98
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.
3kip 3-DEHYDROQUINASE,
TYPE II

(Candida
albicans) 		PF01220
(DHquinase_II) 		5 LEU A   5
VAL A  71
GLY A  72
VAL A   1
ILE A   7
 None
 1.09A 2yy8A-3kipA:
5.1
2yy8B-3kipA:
4.2		 2yy8A-3kipA:
22.11
2yy8B-3kipA:
22.11
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 HIS A 346
LEU A 272
GLY A 270
VAL A 261
ILE A 275
 None
 1.07A 2yy8A-3n6zA:
undetectable
2yy8B-3n6zA:
undetectable		 2yy8A-3n6zA:
16.62
2yy8B-3n6zA:
16.62
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.
3npf PUTATIVE
DIPEPTIDYL-PEPTIDASE
VI

(Bacteroides
ovatus) 		PF00877
(NLPC_P60) 		5 LEU A 206
VAL A 201
GLY A 195
HIS A 263
ALA A 276
 CSA  A 203 ( 4.4A)
None
None
CSA  A 203 ( 4.1A)
CSA  A 203 ( 4.1A)
 1.17A 2yy8A-3npfA:
undetectable
2yy8B-3npfA:
undetectable		 2yy8A-3npfA:
20.19
2yy8B-3npfA:
20.19
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		5 HIS A 270
LEU A 147
VAL A 128
ILE A 169
GLU A 360
 None
 1.10A 2yy8A-3nzqA:
2.0
2yy8B-3nzqA:
4.3		 2yy8A-3nzqA:
16.07
2yy8B-3nzqA:
16.07
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.
3oaa ATP SYNTHASE GAMMA
CHAIN

(Escherichia
coli) 		PF00231
(ATP-synt) 		5 LEU G 235
VAL G 232
GLY G 230
GLU G 233
ALA G 236
 SO4  G 300 ( 4.5A)
None
None
None
None
 1.18A 2yy8A-3oaaG:
undetectable
2yy8B-3oaaG:
undetectable		 2yy8A-3oaaG:
21.51
2yy8B-3oaaG:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oac GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Mentha x
piperita) 		no annotation 5 LEU B 107
VAL B 104
GLY B 101
HIS B  79
GLU B 105
 None
 1.17A 2yy8A-3oacB:
undetectable
2yy8B-3oacB:
undetectable		 2yy8A-3oacB:
24.03
2yy8B-3oacB:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr2 TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica) 		PF00291
(PALP) 		5 HIS B  86
VAL B 231
GLY B 232
ILE B 228
ALA B 229
 7MN  B   2 (-4.0A)
7MN  B   2 ( 4.5A)
7MN  B   2 ( 3.2A)
None
None
 1.15A 2yy8A-3pr2B:
2.4
2yy8B-3pr2B:
undetectable		 2yy8A-3pr2B:
19.21
2yy8B-3pr2B:
19.21
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 197
GLY A 195
VAL A  70
ILE A 182
ALA A 224
 None
 0.91A 2yy8A-3pv2A:
undetectable
2yy8B-3pv2A:
undetectable		 2yy8A-3pv2A:
18.02
2yy8B-3pv2A:
18.02
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 197
GLY A 195
VAL A  70
ILE A 182
ALA A 224
 None
 0.92A 2yy8A-3pv4A:
undetectable
2yy8B-3pv4A:
undetectable		 2yy8A-3pv4A:
18.73
2yy8B-3pv4A:
18.73
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.
3r9w GTPASE ERA

(Aquifex
aeolicus) 		PF01926
(MMR_HSR1)
PF07650
(KH_2) 		5 VAL A   9
GLY A  10
VAL A  14
ILE A  78
ALA A  79
 None
None
GNP  A 402 (-4.1A)
None
None
 1.00A 2yy8A-3r9wA:
undetectable
2yy8B-3r9wA:
undetectable		 2yy8A-3r9wA:
22.30
2yy8B-3r9wA:
22.30
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.
3sti PROTEASE DEGQ

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 LEU A 191
GLY A 188
VAL A  68
ILE A 176
ALA A 218
 None
 1.18A 2yy8A-3stiA:
undetectable
2yy8B-3stiA:
undetectable		 2yy8A-3stiA:
21.92
2yy8B-3stiA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sti PROTEASE DEGQ

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 LEU A 191
GLY A 189
VAL A  68
ILE A 176
ALA A 218
 None
 0.89A 2yy8A-3stiA:
undetectable
2yy8B-3stiA:
undetectable		 2yy8A-3stiA:
21.92
2yy8B-3stiA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A  82
LEU A 191
GLY A 189
VAL A  68
ALA A 218
 None
 1.14A 2yy8A-3stjA:
undetectable
2yy8B-3stjA:
undetectable		 2yy8A-3stjA:
22.22
2yy8B-3stjA:
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.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 191
GLY A 189
VAL A  26
ILE A 176
ALA A 218
 None
 1.01A 2yy8A-3stjA:
undetectable
2yy8B-3stjA:
undetectable		 2yy8A-3stjA:
22.22
2yy8B-3stjA:
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.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 191
GLY A 189
VAL A  68
ILE A 176
ALA A 218
 None
 0.94A 2yy8A-3stjA:
undetectable
2yy8B-3stjA:
undetectable		 2yy8A-3stjA:
22.22
2yy8B-3stjA:
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.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 HIS A 162
VAL A 185
GLY A 186
ILE A 182
ALA A 183
 None
LLP  A  51 ( 4.2A)
LLP  A  51 ( 3.5A)
None
None
 1.18A 2yy8A-3tbhA:
2.9
2yy8B-3tbhA:
undetectable		 2yy8A-3tbhA:
20.59
2yy8B-3tbhA:
20.59
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		5 LEU B 614
MET B 683
VAL B 613
GLY B 612
ALA B 609
 None
 1.15A 2yy8A-3u44B:
2.5
2yy8B-3u44B:
2.3		 2yy8A-3u44B:
10.89
2yy8B-3u44B:
10.89
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.
3ug7 ARSENICAL
PUMP-DRIVING ATPASE

(Methanocaldococcus
jannaschii) 		PF02374
(ArsA_ATPase) 		5 LYS A  84
VAL A  83
ILE A 328
GLU A  52
ALA A 329
 None
 1.03A 2yy8A-3ug7A:
undetectable
2yy8B-3ug7A:
undetectable		 2yy8A-3ug7A:
22.29
2yy8B-3ug7A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vqr PUTATIVE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF01266
(DAO) 		5 LEU A 226
VAL A 222
GLY A 223
ILE A 370
ALA A 209
 None
 1.13A 2yy8A-3vqrA:
undetectable
2yy8B-3vqrA:
undetectable		 2yy8A-3vqrA:
17.11
2yy8B-3vqrA:
17.11
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.
3w7b FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Thermus
thermophilus) 		PF00551
(Formyl_trans_N)
PF01842
(ACT) 		5 LEU A 160
VAL A 165
GLY A 164
ILE A 156
GLU A 163
 None
 1.14A 2yy8A-3w7bA:
3.2
2yy8B-3w7bA:
2.7		 2yy8A-3w7bA:
23.02
2yy8B-3w7bA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bh6 APC/C ACTIVATOR
PROTEIN CDH1

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 LEU A 308
VAL A 319
GLY A 320
VAL A 347
ALA A 280
 None
 1.06A 2yy8A-4bh6A:
undetectable
2yy8B-4bh6A:
undetectable		 2yy8A-4bh6A:
21.17
2yy8B-4bh6A:
21.17
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.
4ciu CHAPERONE PROTEIN
CLPB

(Escherichia
coli) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 LEU A 219
VAL A 216
ILE A 223
GLU A 217
ALA A 220
 None
 1.10A 2yy8A-4ciuA:
undetectable
2yy8B-4ciuA:
undetectable		 2yy8A-4ciuA:
15.41
2yy8B-4ciuA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 LEU A 301
GLY A 296
VAL A 260
ILE A 305
ALA A 302
 None
 0.94A 2yy8A-4e3aA:
3.1
2yy8B-4e3aA:
undetectable		 2yy8A-4e3aA:
18.70
2yy8B-4e3aA:
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.
4f99 CELL DIVISION CYCLE
7-RELATED PROTEIN
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 HIS A 139
VAL A  72
GLY A  65
ILE A  87
ALA A  88
 ADP  A 601 (-4.0A)
ADP  A 601 (-4.0A)
ADP  A 601 ( 3.8A)
None
ADP  A 601 (-3.5A)
 0.98A 2yy8A-4f99A:
undetectable
2yy8B-4f99A:
undetectable		 2yy8A-4f99A:
20.73
2yy8B-4f99A:
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.
4hse CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF00004
(AAA) 		5 LEU A 211
VAL A 208
ILE A 215
GLU A 209
ALA A 212
 None
None
None
GAI  A 601 (-3.3A)
None
 1.15A 2yy8A-4hseA:
undetectable
2yy8B-4hseA:
undetectable		 2yy8A-4hseA:
21.37
2yy8B-4hseA:
21.37
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.
4ic6 PROTEASE DO-LIKE 8,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 296
GLY A 294
VAL A 158
ILE A 281
ALA A 323
 None
 0.99A 2yy8A-4ic6A:
undetectable
2yy8B-4ic6A:
undetectable		 2yy8A-4ic6A:
21.05
2yy8B-4ic6A:
21.05
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 VAL A 424
GLY A 425
VAL A  23
ILE A 360
ALA A 361
 None
 1.05A 2yy8A-4um8A:
undetectable
2yy8B-4um8A:
undetectable		 2yy8A-4um8A:
16.33
2yy8B-4um8A:
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.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 LEU A 124
VAL A 100
GLY A  99
ILE A 235
ALA A 114
 None
 0.77A 2yy8A-4y7dA:
undetectable
2yy8B-4y7dA:
undetectable		 2yy8A-4y7dA:
20.59
2yy8B-4y7dA:
20.59
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 194
GLY A 191
VAL A  67
ILE A 179
ALA A 221
 None
 1.18A 2yy8A-4ynnA:
undetectable
2yy8B-4ynnA:
undetectable		 2yy8A-4ynnA:
18.78
2yy8B-4ynnA:
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 194
GLY A 192
VAL A  67
ILE A 179
ALA A 221
 None
 0.96A 2yy8A-4ynnA:
undetectable
2yy8B-4ynnA:
undetectable		 2yy8A-4ynnA:
18.78
2yy8B-4ynnA:
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.
4yo1 DEGQ

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 194
GLY A 192
VAL A  67
ILE A 179
ALA A 221
 None
 0.92A 2yy8A-4yo1A:
undetectable
2yy8B-4yo1A:
undetectable		 2yy8A-4yo1A:
19.72
2yy8B-4yo1A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ze8 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(AGROCINOPINES A AND
B)

(Agrobacterium
fabrum) 		PF00496
(SBP_bac_5) 		5 LEU A 250
GLY A  38
VAL A 240
ILE A 269
ALA A 497
 None
 0.98A 2yy8A-4ze8A:
undetectable
2yy8B-4ze8A:
undetectable		 2yy8A-4ze8A:
20.56
2yy8B-4ze8A:
20.56
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.
4zrf HYPOTHETICAL
THIOESTERASE PROTEIN
SP_1851

(Streptococcus
pneumoniae) 		PF03061
(4HBT) 		5 LEU A  57
VAL A  25
GLY A  89
VAL A 103
ILE A  60
 None
 1.18A 2yy8A-4zrfA:
undetectable
2yy8B-4zrfA:
undetectable		 2yy8A-4zrfA:
20.98
2yy8B-4zrfA:
20.98
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 LEU A1302
MET A1304
VAL A1254
ILE A1374
ALA A1370
 None
 1.13A 2yy8A-5a31A:
undetectable
2yy8B-5a31A:
undetectable		 2yy8A-5a31A:
9.30
2yy8B-5a31A:
9.30
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.
5a31 THE
ANAPHASE-PROMOTING
COMPLEX CHAIN R

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 LEU R 232
VAL R 243
GLY R 244
VAL R 271
ALA R 204
 None
 1.05A 2yy8A-5a31R:
undetectable
2yy8B-5a31R:
undetectable		 2yy8A-5a31R:
18.39
2yy8B-5a31R:
18.39
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.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp)
PF01740
(STAS) 		5 LEU A 135
VAL A 132
GLY A 130
ILE A 139
ALA A 136
 None
 1.01A 2yy8A-5da0A:
undetectable
2yy8B-5da0A:
3.2		 2yy8A-5da0A:
16.83
2yy8B-5da0A:
16.83
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1

(Pseudomonas
stutzeri) 		PF00115
(COX1) 		5 HIS A 258
LEU A 277
VAL A 250
HIS A 260
ALA A 328
 CU  A 503 (-3.1A)
None
None
None
HEM  A 501 (-3.9A)
 1.16A 2yy8A-5djqA:
undetectable
2yy8B-5djqA:
undetectable		 2yy8A-5djqA:
17.23
2yy8B-5djqA:
17.23
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.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 VAL A 185
GLY A 184
VAL A 170
ILE A 232
GLU A 219
 None
 1.15A 2yy8A-5dtrA:
3.0
2yy8B-5dtrA:
2.6		 2yy8A-5dtrA:
19.64
2yy8B-5dtrA:
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.
5guf CDP-ARCHAEOL
SYNTHASE

(Aeropyrum
pernix) 		no annotation 5 MET A  21
GLY A  95
VAL A 133
ILE A  26
ALA A  27
 None
 0.89A 2yy8A-5gufA:
undetectable
2yy8B-5gufA:
undetectable		 2yy8A-5gufA:
23.77
2yy8B-5gufA:
23.77
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.
5gvh ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[FMN]

(Thermotoga
maritima) 		PF03060
(NMO) 		5 LEU A  18
MET A 192
GLY A  39
VAL A  34
ALA A 189
 None
 1.18A 2yy8A-5gvhA:
undetectable
2yy8B-5gvhA:
undetectable		 2yy8A-5gvhA:
21.14
2yy8B-5gvhA:
21.14
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.
5h71 ALGQ2

(Sphingomonas
sp.) 		PF01547
(SBP_bac_1) 		5 HIS A 268
MET A 410
VAL A 417
ILE A 408
GLU A 305
 None
 1.13A 2yy8A-5h71A:
undetectable
2yy8B-5h71A:
undetectable		 2yy8A-5h71A:
16.02
2yy8B-5h71A:
16.02
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.
5h78 CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT,DHR14

(Homo sapiens;
synthetic
construct) 		PF02197
(RIIa) 		5 LEU A 131
VAL A 134
VAL A 174
ILE A 127
GLU A 133
 None
 1.06A 2yy8A-5h78A:
undetectable
2yy8B-5h78A:
2.3		 2yy8A-5h78A:
26.70
2yy8B-5h78A:
26.70
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.
5h7c IMMUNOGLOBULIN
G-BINDING PROTEIN A,
DHR14

(Staphylococcus
aureus;
synthetic
construct) 		PF02216
(B) 		5 LEU A 336
VAL A 339
VAL A 379
ILE A 332
GLU A 338
 None
 1.16A 2yy8A-5h7cA:
undetectable
2yy8B-5h7cA:
undetectable		 2yy8A-5h7cA:
20.36
2yy8B-5h7cA:
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 LEU A 528
LYS A 643
ILE A 474
GLU A 466
ALA A 470
 None
 1.09A 2yy8A-5ijlA:
undetectable
2yy8B-5ijlA:
undetectable		 2yy8A-5ijlA:
10.40
2yy8B-5ijlA:
10.40
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.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp) 		5 LEU A 135
VAL A 132
GLY A 130
ILE A 139
ALA A 136
 None
 1.01A 2yy8A-5iofA:
undetectable
2yy8B-5iofA:
undetectable		 2yy8A-5iofA:
18.52
2yy8B-5iofA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 VAL A 873
GLY A1084
ILE A1080
GLU A1085
ALA A1081
 None
 1.16A 2yy8A-5iy9A:
undetectable
2yy8B-5iy9A:
undetectable		 2yy8A-5iy9A:
8.35
2yy8B-5iy9A:
8.35
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 5 LEU A 281
GLY A 276
VAL A 225
ILE A 285
GLU A 279
 None
None
None
None
A  B  15 ( 4.8A)
 0.97A 2yy8A-5kk5A:
undetectable
2yy8B-5kk5A:
undetectable		 2yy8A-5kk5A:
10.08
2yy8B-5kk5A:
10.08
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.
5kqw 4-AMINOBUTYRATE
TRANSAMINASE

(Pseudomonas) 		PF00202
(Aminotran_3) 		5 HIS A 187
LEU A 385
GLY A 374
GLU A 375
ALA A 384
 None
 1.11A 2yy8A-5kqwA:
undetectable
2yy8B-5kqwA:
undetectable		 2yy8A-5kqwA:
17.71
2yy8B-5kqwA:
17.71
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 LEU A1302
MET A1304
VAL A1254
ILE A1374
ALA A1370
 None
 1.06A 2yy8A-5lcwA:
undetectable
2yy8B-5lcwA:
undetectable		 2yy8A-5lcwA:
7.51
2yy8B-5lcwA:
7.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		5 VAL A 333
GLY A 334
LYS A 307
ILE A  94
ALA A  95
 FMN  A 401 (-4.5A)
FMN  A 401 (-3.5A)
None
None
FMN  A 401 (-3.3A)
 1.14A 2yy8A-5mvdA:
undetectable
2yy8B-5mvdA:
2.0		 2yy8A-5mvdA:
20.81
2yy8B-5mvdA:
20.81
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.
5ncc FATTY ACID
PHOTODECARBOXYLASE

(Chlorella
variabilis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A  88
VAL A 112
VAL A 298
GLU A 114
ALA A  95
 None
None
FAD  A 701 (-3.5A)
FAD  A 701 (-2.6A)
None
 1.16A 2yy8A-5nccA:
undetectable
2yy8B-5nccA:
undetectable		 2yy8A-5nccA:
15.53
2yy8B-5nccA:
15.53
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.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 VAL A 424
GLY A 425
VAL A  23
ILE A 360
ALA A 361
 None
 0.89A 2yy8A-5neuA:
undetectable
2yy8B-5neuA:
undetectable		 2yy8A-5neuA:
16.64
2yy8B-5neuA:
16.64
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.
5o3m PROTOCATECHUATE
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF01977
(UbiD) 		5 LEU A 240
VAL A 236
GLY A 235
VAL A 105
ALA A 215
 None
 1.06A 2yy8A-5o3mA:
undetectable
2yy8B-5o3mA:
2.1		 2yy8A-5o3mA:
17.24
2yy8B-5o3mA:
17.24
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.
5ofu FBP PROTEIN

(Leishmania
major) 		PF00316
(FBPase) 		5 HIS A 205
LEU A 260
GLY A 189
ILE A 208
ALA A 295
 None
 1.18A 2yy8A-5ofuA:
undetectable
2yy8B-5ofuA:
undetectable		 2yy8A-5ofuA:
19.09
2yy8B-5ofuA:
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.
5ue8 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF00130
(C1_1)
PF00168
(C2)
PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		6 HIS A 814
LEU A 788
VAL A 817
GLY A 790
VAL A 825
ILE A 783
 None
 1.42A 2yy8A-5ue8A:
undetectable
2yy8B-5ue8A:
2.4		 2yy8A-5ue8A:
11.76
2yy8B-5ue8A:
11.76
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.
5va8 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF13561
(adh_short_C2) 		5 LEU A  27
VAL A  32
GLY A  31
VAL A  57
ALA A 233
 None
 1.17A 2yy8A-5va8A:
4.2
2yy8B-5va8A:
3.1		 2yy8A-5va8A:
21.66
2yy8B-5va8A:
21.66
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.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 5 LEU A 873
VAL A 869
GLY A 868
GLU A 913
ALA A 917
 None
 0.85A 2yy8A-5vanA:
4.0
2yy8B-5vanA:
2.1		 2yy8A-5vanA:
undetectable
2yy8B-5vanA:
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.
5wii CONJUGAL TRANSFER
PROTEIN

(Escherichia
coli) 		no annotation 5 VAL A 107
VAL A 125
ILE A 198
GLU A 111
ALA A 197
 None
 1.05A 2yy8A-5wiiA:
undetectable
2yy8B-5wiiA:
undetectable		 2yy8A-5wiiA:
22.50
2yy8B-5wiiA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xdy HEAT SHOCK PROTEIN
HTRA

(Mycobacterium
tuberculosis) 		no annotation 5 HIS A 270
LEU A 391
GLY A 389
VAL A 257
ALA A 418
 None
 1.12A 2yy8A-5xdyA:
undetectable
2yy8B-5xdyA:
undetectable		 2yy8A-5xdyA:
undetectable
2yy8B-5xdyA:
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.
5xdy HEAT SHOCK PROTEIN
HTRA

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 391
GLY A 389
VAL A 257
ILE A 376
ALA A 418
 None
 0.98A 2yy8A-5xdyA:
undetectable
2yy8B-5xdyA:
undetectable		 2yy8A-5xdyA:
undetectable
2yy8B-5xdyA:
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.
5y28 -

(-) 		no annotation 5 HIS A 116
LEU A 225
GLY A 223
VAL A 103
ALA A 252
 None
 1.08A 2yy8A-5y28A:
undetectable
2yy8B-5y28A:
undetectable		 2yy8A-5y28A:
undetectable
2yy8B-5y28A:
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.
5y28 -

(-) 		no annotation 5 LEU A 225
GLY A 222
VAL A 103
ILE A 210
ALA A 252
 None
 1.15A 2yy8A-5y28A:
undetectable
2yy8B-5y28A:
undetectable		 2yy8A-5y28A:
undetectable
2yy8B-5y28A:
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.
5y28 -

(-) 		no annotation 5 LEU A 225
GLY A 223
VAL A 103
ILE A 210
ALA A 252
 None
 0.89A 2yy8A-5y28A:
undetectable
2yy8B-5y28A:
undetectable		 2yy8A-5y28A:
undetectable
2yy8B-5y28A:
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.
5y2d -

(-) 		no annotation 5 LEU A 225
GLY A 223
VAL A  55
ILE A 210
ALA A 252
 None
 1.11A 2yy8A-5y2dA:
undetectable
2yy8B-5y2dA:
undetectable		 2yy8A-5y2dA:
undetectable
2yy8B-5y2dA:
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.
6bms PALMITOYLTRANSFERASE

(Danio rerio) 		no annotation 5 VAL A 150
GLY A 151
VAL A 136
ILE A  63
ALA A  62
 None
 0.91A 2yy8A-6bmsA:
undetectable
2yy8B-6bmsA:
undetectable		 2yy8A-6bmsA:
undetectable
2yy8B-6bmsA:
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 LEU A 197
VAL A 193
GLY A 191
VAL A 201
ILE A  84
 None
 1.14A 2yy8A-6cmzA:
4.0
2yy8B-6cmzA:
3.7		 2yy8A-6cmzA:
undetectable
2yy8B-6cmzA:
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.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
putida) 		no annotation 5 LEU A 363
GLY A 388
ILE A 319
GLU A 387
ALA A 362
 None
 1.16A 2yy8A-6cn1A:
undetectable
2yy8B-6cn1A:
undetectable		 2yy8A-6cn1A:
undetectable
2yy8B-6cn1A:
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.
6cza -

(-) 		no annotation 5 VAL A 292
GLY A 291
ILE A 283
GLU A 290
ALA A 358
 None
 0.85A 2yy8A-6czaA:
2.5
2yy8B-6czaA:
2.4		 2yy8A-6czaA:
undetectable
2yy8B-6czaA:
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.
6f9m SERINE PROTEASE

(Planococcus
plakortidis) 		no annotation 5 LEU A 164
ILE A 134
HIS A 135
GLU A 166
ALA A 167
 None
 1.14A 2yy8A-6f9mA:
2.2
2yy8B-6f9mA:
undetectable		 2yy8A-6f9mA:
undetectable
2yy8B-6f9mA:
undetectable