SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_R_TFPR201_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e96 NEUTROPHIL CYTOSOL
FACTOR 2 (NCF-2) TPR
DOMAIN, RESIDUES
1-203

(Homo sapiens) 		PF07719
(TPR_2)
PF13181
(TPR_8) 		5 ILE B 177
CYH B  45
PHE B  29
PHE B 183
GLY B 113
 None
 1.36A 3ko0R-1e96B:
undetectable
3ko0T-1e96B:
undetectable		 3ko0R-1e96B:
17.77
3ko0T-1e96B:
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.
1gq8 PECTINESTERASE

(Daucus carota) 		PF01095
(Pectinesterase) 		5 GLY A  44
ILE A  39
PHE A 126
PHE A 313
GLY A  65
 None
 1.42A 3ko0R-1gq8A:
undetectable
3ko0T-1gq8A:
undetectable		 3ko0R-1gq8A:
14.56
3ko0T-1gq8A:
14.56
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 GLY A 384
ILE A 394
PHE A 331
PHE A 339
GLY A 338
 None
None
EMM  A1999 (-4.7A)
None
None
 1.42A 3ko0R-1gqrA:
1.5
3ko0T-1gqrA:
1.3		 3ko0R-1gqrA:
11.35
3ko0T-1gqrA:
11.35
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 GLY A 437
PHE A 290
PHE A 330
GLY A 328
PHE A 331
 None
EMM  A1999 (-4.1A)
SAF  A1998 (-3.1A)
None
EMM  A1999 (-4.7A)
 1.50A 3ko0R-1gqrA:
1.5
3ko0T-1gqrA:
1.3		 3ko0R-1gqrA:
11.35
3ko0T-1gqrA:
11.35
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.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 GLY A 608
PHE A 129
PHE A 605
GLY A 600
PHE A 601
 None
None
R03  A 800 (-3.6A)
None
R03  A 800 (-4.6A)
 1.47A 3ko0R-1h39A:
0.0
3ko0T-1h39A:
undetectable		 3ko0R-1h39A:
9.28
3ko0T-1h39A:
9.28
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.
1hle HORSE LEUKOCYTE
ELASTASE INHIBITOR

(Equus caballus) 		PF00079
(Serpin) 		5 GLY A 307
ILE A 332
PHE A  96
PHE A  33
PHE A  82
 None
 1.37A 3ko0R-1hleA:
0.0
3ko0T-1hleA:
undetectable		 3ko0R-1hleA:
13.98
3ko0T-1hleA:
13.98
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.
1jf5 ALPHA AMYLASE II

(Thermoactinomyces
vulgaris) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 GLY A 503
ILE A 580
PHE A 384
PHE A 519
PHE A 442
 None
 1.50A 3ko0R-1jf5A:
undetectable
3ko0T-1jf5A:
undetectable		 3ko0R-1jf5A:
11.62
3ko0T-1jf5A:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jfd INORGANIC
PYROPHOSPHATASE

(Escherichia
coli) 		PF00719
(Pyrophosphatase) 		5 GLY A  82
ILE A  28
PHE A  50
PHE A 137
GLY A  56
 None
 1.15A 3ko0R-1jfdA:
undetectable
3ko0T-1jfdA:
undetectable		 3ko0R-1jfdA:
20.67
3ko0T-1jfdA:
20.67
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.
1m6u NDT80 PROTEIN

(Saccharomyces
cerevisiae) 		PF05224
(NDT80_PhoG) 		5 ILE A 157
PHE A 273
PHE A 114
GLY A  98
PHE A  99
 None
None
None
SO4  A 400 (-3.1A)
None
 1.33A 3ko0R-1m6uA:
undetectable
3ko0T-1m6uA:
undetectable		 3ko0R-1m6uA:
16.09
3ko0T-1m6uA:
16.09
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.
1mnn NDT80 PROTEIN

(Saccharomyces
cerevisiae) 		PF05224
(NDT80_PhoG) 		5 ILE A 157
PHE A 273
PHE A 114
GLY A  98
PHE A  99
 None
 1.37A 3ko0R-1mnnA:
undetectable
3ko0T-1mnnA:
undetectable		 3ko0R-1mnnA:
14.95
3ko0T-1mnnA:
14.95
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.
1pgp 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Ovis aries) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLY A 192
ILE A 331
PHE A 379
GLY A 337
PHE A 338
 None
 1.48A 3ko0R-1pgpA:
0.0
3ko0T-1pgpA:
undetectable		 3ko0R-1pgpA:
12.98
3ko0T-1pgpA:
12.98
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 GLY A 139
ILE A  67
CYH A 149
PHE A 152
GLY A 143
 None
None
None
None
ANP  A 901 (-3.3A)
 1.19A 3ko0R-1pvgA:
0.0
3ko0T-1pvgA:
undetectable		 3ko0R-1pvgA:
12.17
3ko0T-1pvgA:
12.17
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		5 GLY A  95
ILE A 282
PHE A 422
PHE A 425
GLY A  43
 HEA  A 601 ( 4.0A)
HEA  A 602 ( 4.7A)
None
None
HEA  A 601 ( 4.1A)
 1.21A 3ko0R-1qleA:
undetectable
3ko0T-1qleA:
undetectable		 3ko0R-1qleA:
10.65
3ko0T-1qleA:
10.65
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.
1rcy RUSTICYANIN

(Acidithiobacillus
ferrooxidans) 		PF00127
(Copper-bind) 		5 GLY A  93
ILE A 105
PHE A  76
GLY A 150
PHE A  54
 None
 1.37A 3ko0R-1rcyA:
undetectable
3ko0T-1rcyA:
undetectable		 3ko0R-1rcyA:
20.78
3ko0T-1rcyA:
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.
1s40 CELL DIVISION
CONTROL PROTEIN 13

(Saccharomyces
cerevisiae) 		PF02765
(POT1) 		5 ILE A 120
CYH A 122
PHE A  31
GLY A  79
PHE A  80
 None
 1.40A 3ko0R-1s40A:
undetectable
3ko0T-1s40A:
undetectable		 3ko0R-1s40A:
21.32
3ko0T-1s40A:
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.
1sa3 TYPE II RESTRICTION
ENZYME MSPI

(Moraxella sp.) 		PF09208
(Endonuc-MspI) 		5 GLY A 262
ILE A 136
PHE A 163
GLY A 240
PHE A 241
 None
 1.24A 3ko0R-1sa3A:
0.2
3ko0T-1sa3A:
undetectable		 3ko0R-1sa3A:
16.03
3ko0T-1sa3A:
16.03
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.
1v5s MAP/MICROTUBULE
AFFINITY-REGULATING
KINASE 3

(Mus musculus) 		PF02149
(KA1) 		5 GLY A 122
CYH A  55
CYH A  67
PHE A  97
PHE A 107
 None
 1.09A 3ko0R-1v5sA:
undetectable
3ko0T-1v5sA:
undetectable		 3ko0R-1v5sA:
23.26
3ko0T-1v5sA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vgm 378AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 GLY A 318
ILE A 233
PHE A 315
GLY A 256
PHE A 257
 None
 1.34A 3ko0R-1vgmA:
0.2
3ko0T-1vgmA:
undetectable		 3ko0R-1vgmA:
13.14
3ko0T-1vgmA:
13.14
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.
1vgm 378AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 GLY A 318
ILE A 292
PHE A 315
GLY A 256
PHE A 257
 None
 1.44A 3ko0R-1vgmA:
0.2
3ko0T-1vgmA:
undetectable		 3ko0R-1vgmA:
13.14
3ko0T-1vgmA:
13.14
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 GLY B 246
CYH A 169
PHE A 154
PHE A  24
GLY A  23
 EDO  B  17 (-3.8A)
None
None
None
None
 1.20A 3ko0R-1vraB:
undetectable
3ko0T-1vraB:
undetectable		 3ko0R-1vraB:
20.48
3ko0T-1vraB:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 GLY B 246
CYH A 169
PHE B 201
PHE A  24
GLY A  23
 EDO  B  17 (-3.8A)
None
None
None
None
 1.49A 3ko0R-1vraB:
undetectable
3ko0T-1vraB:
undetectable		 3ko0R-1vraB:
20.48
3ko0T-1vraB:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zxn DNA TOPOISOMERASE
II, ALPHA ISOZYME

(Homo sapiens) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 GLY A 160
ILE A  88
CYH A 170
PHE A 173
GLY A 164
 None
None
None
None
ADP  A 901 (-3.1A)
 1.17A 3ko0R-1zxnA:
undetectable
3ko0T-1zxnA:
undetectable		 3ko0R-1zxnA:
13.07
3ko0T-1zxnA:
13.07
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.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 ILE A 539
MET A 538
PHE A 640
PHE A 526
PHE A 551
 None
 1.32A 3ko0R-2bf4A:
0.0
3ko0T-2bf4A:
undetectable		 3ko0R-2bf4A:
9.27
3ko0T-2bf4A:
9.27
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		5 GLY A 211
ILE A  91
CYH A  40
PHE A  21
GLY A 234
 PGA  A 301 (-3.5A)
None
None
None
PGA  A 301 (-3.8A)
 1.29A 3ko0R-2btmA:
0.0
3ko0T-2btmA:
undetectable		 3ko0R-2btmA:
16.05
3ko0T-2btmA:
16.05
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  73
CYH A 163
PHE A 334
GLY A 134
PHE A 135
 None
ZN  A 402 (-2.4A)
None
None
None
 1.41A 3ko0R-2cf5A:
undetectable
3ko0T-2cf5A:
undetectable		 3ko0R-2cf5A:
13.47
3ko0T-2cf5A:
13.47
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  73
CYH A 163
PHE A 346
GLY A 134
PHE A 135
 None
ZN  A 402 (-2.4A)
None
None
None
 1.30A 3ko0R-2cf5A:
undetectable
3ko0T-2cf5A:
undetectable		 3ko0R-2cf5A:
13.47
3ko0T-2cf5A:
13.47
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  92
CYH A  47
PHE A 334
GLY A 134
PHE A 135
 None
ZN  A 402 (-2.4A)
None
None
None
 1.19A 3ko0R-2cf5A:
undetectable
3ko0T-2cf5A:
undetectable		 3ko0R-2cf5A:
13.47
3ko0T-2cf5A:
13.47
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.
2ejv L-THREONINE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  67
ILE A 146
PHE A 326
GLY A 120
PHE A 121
 None
 1.20A 3ko0R-2ejvA:
undetectable
3ko0T-2ejvA:
undetectable		 3ko0R-2ejvA:
13.37
3ko0T-2ejvA:
13.37
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.
2g7c TOXIN A

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		5 GLY A 126
ILE A 187
PHE A 168
PHE A 158
GLY A 161
 None
 1.44A 3ko0R-2g7cA:
undetectable
3ko0T-2g7cA:
undetectable		 3ko0R-2g7cA:
15.32
3ko0T-2g7cA:
15.32
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.
2h57 ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
6

(Homo sapiens) 		PF00025
(Arf) 		5 GLY A 167
ILE A  34
CYH A  22
PHE A  92
PHE A 128
 None
 1.46A 3ko0R-2h57A:
undetectable
3ko0T-2h57A:
undetectable		 3ko0R-2h57A:
18.65
3ko0T-2h57A:
18.65
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.
2og2 PUTATIVE SIGNAL
RECOGNITION PARTICLE
RECEPTOR

(Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY A 122
CYH A 215
ILE A 129
MET A 130
GLY A 244
 None
 1.33A 3ko0R-2og2A:
3.0
3ko0T-2og2A:
3.4		 3ko0R-2og2A:
16.61
3ko0T-2og2A:
16.61
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.
2uyd HEMOPHORE HASA

(Serratia
marcescens) 		PF06438
(HasA) 		5 PHE X  94
PHE X 115
PHE X  11
GLY X  12
PHE X 166
 None
 1.24A 3ko0R-2uydX:
0.7
3ko0T-2uydX:
0.8		 3ko0R-2uydX:
16.13
3ko0T-2uydX:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wnw ACTIVATED BY
TRANSCRIPTION FACTOR
SSRB

(Salmonella
enterica) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 GLY A 295
CYH A 374
PHE A 398
PHE A 328
PHE A 321
 None
 1.39A 3ko0R-2wnwA:
undetectable
3ko0T-2wnwA:
undetectable		 3ko0R-2wnwA:
12.09
3ko0T-2wnwA:
12.09
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.
2yq0 ORF 73

(Human
gammaherpesvirus
8) 		no annotation 5 GLY A1043
ILE A1024
CYH A1027
PHE A1077
GLY A1078
 None
 1.04A 3ko0R-2yq0A:
undetectable
3ko0T-2yq0A:
undetectable		 3ko0R-2yq0A:
16.88
3ko0T-2yq0A:
16.88
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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 ILE A 400
PHE A 147
PHE A 187
GLY A   8
PHE A   7
 None
 1.49A 3ko0R-2zwsA:
undetectable
3ko0T-2zwsA:
undetectable		 3ko0R-2zwsA:
9.49
3ko0T-2zwsA:
9.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		5 GLY A 482
ILE A 318
PHE A 325
PHE A 456
GLY A 460
 None
 1.31A 3ko0R-3a1iA:
undetectable
3ko0T-3a1iA:
undetectable		 3ko0R-3a1iA:
10.17
3ko0T-3a1iA:
10.17
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.
3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Methanocaldococcus
jannaschii) 		PF13476
(AAA_23) 		5 GLY A  93
ILE A  84
PHE A  46
PHE A  47
PHE A  13
 None
 1.42A 3ko0R-3auxA:
undetectable
3ko0T-3auxA:
undetectable		 3ko0R-3auxA:
13.26
3ko0T-3auxA:
13.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLY A 203
ILE A 209
PHE A 420
PHE A 348
PHE A 425
 None
 1.44A 3ko0R-3cj1A:
undetectable
3ko0T-3cj1A:
0.8		 3ko0R-3cj1A:
11.67
3ko0T-3cj1A:
11.67
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.
3dkt MARITIMACIN

(Thermotoga
maritima) 		PF04454
(Linocin_M18) 		5 GLY A 169
ILE A 264
PHE A 123
PHE A 225
PHE A  39
 None
 1.47A 3ko0R-3dktA:
undetectable
3ko0T-3dktA:
undetectable		 3ko0R-3dktA:
18.87
3ko0T-3dktA:
18.87
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.
3dpu RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF08477
(Roc)
PF16095
(COR) 		5 GLY A 461
ILE A 555
PHE A 529
GLY A 517
PHE A 516
 None
 1.29A 3ko0R-3dpuA:
undetectable
3ko0T-3dpuA:
undetectable		 3ko0R-3dpuA:
11.99
3ko0T-3dpuA:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dzv 4-METHYL-5-(BETA-HYD
ROXYETHYL)THIAZOLE
KINASE

(Enterococcus
faecalis) 		PF02110
(HK) 		5 GLY A 205
CYH A 232
PHE A 246
GLY A 199
PHE A 197
 None
 1.43A 3ko0R-3dzvA:
undetectable
3ko0T-3dzvA:
undetectable		 3ko0R-3dzvA:
18.29
3ko0T-3dzvA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3exh PYRUVATE
DEHYDROGENASE E1
COMPONENT SUBUNIT
BETA, MITOCHONDRIAL

(Homo sapiens) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY B  27
ILE B 112
PHE B  80
GLY B 116
PHE B  83
 None
 1.44A 3ko0R-3exhB:
undetectable
3ko0T-3exhB:
undetectable		 3ko0R-3exhB:
15.34
3ko0T-3exhB:
15.34
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.
3h4q PUTATIVE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00583
(Acetyltransf_1) 		5 GLY A 140
ILE A  89
PHE A 126
PHE A 136
GLY A 134
 None
 1.33A 3ko0R-3h4qA:
undetectable
3ko0T-3h4qA:
undetectable		 3ko0R-3h4qA:
16.40
3ko0T-3h4qA:
16.40
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.
3hjj MALTOSE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF12464
(Mac)
PF14602
(Hexapep_2) 		5 GLY A  99
CYH A  70
ILE A  90
CYH A  88
PHE A  82
 None
 1.42A 3ko0R-3hjjA:
undetectable
3ko0T-3hjjA:
undetectable		 3ko0R-3hjjA:
19.27
3ko0T-3hjjA:
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.
3i4q APC40078

(Oleispira
antarctica) 		PF00719
(Pyrophosphatase) 		5 GLY A  83
ILE A  29
PHE A  51
PHE A 138
GLY A  57
 None
 1.17A 3ko0R-3i4qA:
undetectable
3ko0T-3i4qA:
undetectable		 3ko0R-3i4qA:
21.99
3ko0T-3i4qA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j7y ML53

(Homo sapiens) 		PF00572
(Ribosomal_L13) 		5 GLY k  71
ILE k  75
MET k  76
PHE k  33
PHE k  90
 None
 1.29A 3ko0R-3j7yk:
undetectable
3ko0T-3j7yk:
undetectable		 3ko0R-3j7yk:
21.05
3ko0T-3j7yk:
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.
3ju7 PUTATIVE
PLP-DEPENDENT
AMINOTRANSFERASE

(Bacillus cereus) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A 166
ILE A 183
PHE A  87
PHE A 318
GLY A 139
 None
None
PEG  A 384 ( 4.2A)
None
None
 1.19A 3ko0R-3ju7A:
undetectable
3ko0T-3ju7A:
undetectable		 3ko0R-3ju7A:
16.29
3ko0T-3ju7A:
16.29
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.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		5 GLY A 240
ILE A 367
PHE A 319
GLY A 245
PHE A 249
 EDO  A 403 (-3.7A)
None
None
None
None
 1.43A 3ko0R-3l4iA:
undetectable
3ko0T-3l4iA:
undetectable		 3ko0R-3l4iA:
12.40
3ko0T-3l4iA:
12.40
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 GLY A 103
ILE A 290
PHE A 430
PHE A 433
GLY A  41
 HEA  A   1 ( 3.8A)
HEA  A   2 ( 4.5A)
None
None
HEA  A   1 ( 4.1A)
 1.34A 3ko0R-3omnA:
0.0
3ko0T-3omnA:
undetectable		 3ko0R-3omnA:
11.48
3ko0T-3omnA:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		5 GLY A 272
PHE A 252
PHE A 269
GLY A 243
PHE A 242
 None
None
None
EDO  A1101 (-3.2A)
None
 1.48A 3ko0R-3thcA:
undetectable
3ko0T-3thcA:
undetectable		 3ko0R-3thcA:
10.22
3ko0T-3thcA:
10.22
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.
3tlz MCCF

(Escherichia
coli) 		PF02016
(Peptidase_S66) 		5 GLY A  91
ILE A 115
CYH A  85
PHE A  22
PHE A  74
 AMP  A 500 (-3.2A)
None
None
None
None
 1.46A 3ko0R-3tlzA:
undetectable
3ko0T-3tlzA:
undetectable		 3ko0R-3tlzA:
14.02
3ko0T-3tlzA:
14.02
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.
3v3k CASPASE-9

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 GLY A 225
ILE A 154
PHE A 400
GLY A 163
PHE A 198
 None
 1.31A 3ko0R-3v3kA:
undetectable
3ko0T-3v3kA:
undetectable		 3ko0R-3v3kA:
18.15
3ko0T-3v3kA:
18.15
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.
3vba ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
SMALL SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00694
(Aconitase_C) 		5 GLY A 109
ILE A 105
CYH A  83
GLY A  60
PHE A  63
 None
 1.26A 3ko0R-3vbaA:
undetectable
3ko0T-3vbaA:
undetectable		 3ko0R-3vbaA:
21.08
3ko0T-3vbaA:
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.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		5 GLY A 238
ILE A 166
PHE A 128
GLY A 316
PHE A 315
 None
 1.35A 3ko0R-4ee9A:
undetectable
3ko0T-4ee9A:
undetectable		 3ko0R-4ee9A:
12.81
3ko0T-4ee9A:
12.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		5 GLY A 389
ILE A 484
PHE A 416
PHE A 477
PHE A 446
 None
None
None
EDO  A 511 ( 4.9A)
None
 1.50A 3ko0R-4fe9A:
undetectable
3ko0T-4fe9A:
undetectable		 3ko0R-4fe9A:
11.54
3ko0T-4fe9A:
11.54
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 GLY A 139
ILE A  67
CYH A 149
PHE A 152
GLY A 143
 None
None
None
None
ANP  A1202 (-3.1A)
 1.19A 3ko0R-4gfhA:
undetectable
3ko0T-4gfhA:
undetectable		 3ko0R-4gfhA:
5.97
3ko0T-4gfhA:
5.97
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.
4gou EHRGS-RHOGEF

(Entamoeba
histolytica) 		PF00615
(RGS)
PF00621
(RhoGEF) 		5 CYH A 408
ILE A 407
PHE A 468
PHE A 401
GLY A 403
 None
 1.24A 3ko0R-4gouA:
1.0
3ko0T-4gouA:
1.0		 3ko0R-4gouA:
13.66
3ko0T-4gouA:
13.66
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.
4hrw CYTIDINE AND
DEOXYCYTIDYLATE
DEAMINASE
ZINC-BINDING REGION

(Nitrosomonas
europaea) 		PF00383
(dCMP_cyt_deam_1) 		5 GLY A  71
ILE A  80
CYH A 115
GLY A  46
PHE A  48
 None
None
ZN  A 201 (-2.3A)
None
None
 1.40A 3ko0R-4hrwA:
undetectable
3ko0T-4hrwA:
undetectable		 3ko0R-4hrwA:
17.50
3ko0T-4hrwA:
17.50
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.
4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN
RAS-RELATED PROTEIN
RAB-1A

(Homo sapiens;
Legionella
drancourtii) 		PF00071
(Ras)
no annotation 		5 GLY B  23
ILE B  41
MET A 445
PHE A 448
GLY B  69
 GDP  B 400 (-3.0A)
None
None
None
AF3  B 401 (-3.7A)
 1.34A 3ko0R-4jvsB:
undetectable
3ko0T-4jvsB:
undetectable		 3ko0R-4jvsB:
20.99
3ko0T-4jvsB:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc8 GLYCOSIDE HYDROLASE,
FAMILY 43

(Thermotoga
petrophila) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 ILE A 328
PHE A 361
PHE A 307
GLY A 292
PHE A 294
 None
 1.48A 3ko0R-4kc8A:
undetectable
3ko0T-4kc8A:
undetectable		 3ko0R-4kc8A:
13.27
3ko0T-4kc8A:
13.27
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		5 GLY A  46
ILE A 276
PHE A 136
PHE A 246
GLY A  96
 None
 0.94A 3ko0R-4p8bA:
undetectable
3ko0T-4p8bA:
undetectable		 3ko0R-4p8bA:
15.50
3ko0T-4p8bA:
15.50
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.
4ui2 REPULSIVE GUIDANCE
MOLECULE C, RGMC,
HEMOJUVELIN

(Homo sapiens) 		PF06534
(RGM_C)
PF06535
(RGM_N) 		5 GLY D 286
ILE D 216
PHE C 162
GLY C 167
PHE C 166
 None
 1.35A 3ko0R-4ui2D:
undetectable
3ko0T-4ui2D:
undetectable		 3ko0R-4ui2D:
15.45
3ko0T-4ui2D:
15.45
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		5 GLY A 285
CYH A 214
ILE A 212
MET A 198
GLY A  75
 FAD  A 503 (-3.3A)
None
None
None
None
 1.43A 3ko0R-4x4jA:
undetectable
3ko0T-4x4jA:
undetectable		 3ko0R-4x4jA:
9.27
3ko0T-4x4jA:
9.27
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.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3

(Saccharomyces
cerevisiae) 		no annotation 5 CYH L 351
ILE L 349
PHE L 375
PHE L 448
GLY L 424
 None
 1.37A 3ko0R-4xr7L:
undetectable
3ko0T-4xr7L:
undetectable		 3ko0R-4xr7L:
12.53
3ko0T-4xr7L:
12.53
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.
4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG

(Haemophilus
influenzae) 		PF03595
(SLAC1) 		5 GLY A 256
PHE A  80
PHE A 119
PHE A  82
GLY A  12
 BOG  A 401 ( 4.0A)
None
None
BOG  A 401 (-4.1A)
BOG  A 401 (-3.3A)
 1.48A 3ko0R-4ycrA:
undetectable
3ko0T-4ycrA:
0.9		 3ko0R-4ycrA:
15.38
3ko0T-4ycrA:
15.38
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A 149
ILE C  76
PHE A 293
GLY A 292
PHE A 297
 None
 1.47A 3ko0R-5aa5A:
undetectable
3ko0T-5aa5A:
undetectable		 3ko0R-5aa5A:
16.41
3ko0T-5aa5A:
16.41
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 GLY A 767
ILE A 919
PHE A 972
GLY A 859
PHE A 881
 None
 1.42A 3ko0R-5dkxA:
undetectable
3ko0T-5dkxA:
undetectable		 3ko0R-5dkxA:
7.70
3ko0T-5dkxA:
7.70
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.
5ee5 BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 1

(Homo sapiens) 		PF16213
(DCB) 		5 GLY A 114
CYH A 135
ILE A 134
CYH A  88
PHE A  81
 None
 1.23A 3ko0R-5ee5A:
undetectable
3ko0T-5ee5A:
undetectable		 3ko0R-5ee5A:
20.59
3ko0T-5ee5A:
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.
5iw7 RIBOSOME BIOGENESIS
PROTEIN
TSR1,RIBOSOME
BIOGENESIS PROTEIN
TSR1

(Saccharomyces
cerevisiae) 		PF04950
(RIBIOP_C)
PF08142
(AARP2CN) 		5 GLY A 173
CYH A 151
PHE A 157
PHE A 160
GLY A 161
 None
 1.49A 3ko0R-5iw7A:
undetectable
3ko0T-5iw7A:
undetectable		 3ko0R-5iw7A:
9.52
3ko0T-5iw7A:
9.52
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 GLY A 191
PHE B 263
PHE B 253
GLY B 208
PHE B 209
 None
 1.33A 3ko0R-5j1lA:
undetectable
3ko0T-5j1lA:
undetectable		 3ko0R-5j1lA:
20.19
3ko0T-5j1lA:
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.
5kew VTRC PROTEIN

(Vibrio
parahaemolyticus) 		no annotation 5 ILE B  58
PHE B 148
PHE B 149
GLY B  85
PHE B 101
 None
 1.33A 3ko0R-5kewB:
undetectable
3ko0T-5kewB:
undetectable		 3ko0R-5kewB:
22.22
3ko0T-5kewB:
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.
5kia L-THREONINE
3-DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 151
ILE A 139
PHE A  79
PHE A 133
GLY A  87
 CA  A 401 ( 4.8A)
None
None
None
None
 1.46A 3ko0R-5kiaA:
undetectable
3ko0T-5kiaA:
undetectable		 3ko0R-5kiaA:
14.87
3ko0T-5kiaA:
14.87
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 689
PHE A 735
PHE A 694
GLY A 679
PHE A 678
 None
 1.42A 3ko0R-5l3dA:
undetectable
3ko0T-5l3dA:
undetectable		 3ko0R-5l3dA:
7.98
3ko0T-5l3dA:
7.98
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		5 ILE A 502
PHE A 239
PHE A 114
GLY A 111
PHE A 358
 None
 1.15A 3ko0R-5m8jA:
0.0
3ko0T-5m8jA:
undetectable		 3ko0R-5m8jA:
11.13
3ko0T-5m8jA:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n29 CTP SYNTHASE

(Trypanosoma
brucei) 		PF00117
(GATase) 		5 GLY A 400
CYH A 384
PHE A 348
GLY A 331
PHE A 329
 None
None
None
CL  A 602 (-3.6A)
None
 1.24A 3ko0R-5n29A:
undetectable
3ko0T-5n29A:
undetectable		 3ko0R-5n29A:
17.16
3ko0T-5n29A:
17.16
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 5 GLY B 298
PHE B 317
PHE B 314
PHE B 301
PHE B 332
 None
 1.43A 3ko0R-5swiB:
undetectable
3ko0T-5swiB:
undetectable		 3ko0R-5swiB:
10.84
3ko0T-5swiB:
10.84
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 5 PHE B 317
PHE B 314
PHE B 301
GLY B 331
PHE B 332
 None
 1.49A 3ko0R-5swiB:
undetectable
3ko0T-5swiB:
undetectable		 3ko0R-5swiB:
10.84
3ko0T-5swiB:
10.84
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 GLY A 135
CYH A 164
PHE A 367
PHE A 428
PHE A 420
 None
GLY  A 951 (-4.7A)
None
None
None
 1.35A 3ko0R-5x2qA:
undetectable
3ko0T-5x2qA:
undetectable		 3ko0R-5x2qA:
12.11
3ko0T-5x2qA:
12.11
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 GLY A 372
ILE A 334
PHE A 487
PHE A  51
GLY A 320
 None
 1.25A 3ko0R-6bzcA:
0.5
3ko0T-6bzcA:
0.6		 3ko0R-6bzcA:
27.08
3ko0T-6bzcA:
27.08
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.
6cg6 CADHERIN-10

(Mus musculus) 		no annotation 5 ILE A  96
PHE A   7
PHE A  92
PHE A  48
GLY A  43
 None
 1.34A 3ko0R-6cg6A:
undetectable
3ko0T-6cg6A:
undetectable		 3ko0R-6cg6A:
20.79
3ko0T-6cg6A:
20.79
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.
6cgs CADHERIN-7

(Mus musculus) 		no annotation 5 ILE A  96
PHE A   7
PHE A  92
PHE A  48
GLY A  43
 None
 1.47A 3ko0R-6cgsA:
undetectable
3ko0T-6cgsA:
undetectable		 3ko0R-6cgsA:
24.77
3ko0T-6cgsA:
24.77
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.
6cgu CADHERIN-6

(Mus musculus) 		no annotation 5 ILE A  96
PHE A   7
PHE A  92
PHE A  48
GLY A  43
 ILE  A  96 ( 0.7A)
PHE  A   7 ( 1.3A)
PHE  A  92 ( 1.3A)
PHE  A  48 ( 1.3A)
GLY  A  43 ( 0.0A)
 1.40A 3ko0R-6cguA:
undetectable
3ko0T-6cguA:
undetectable		 3ko0R-6cguA:
18.00
3ko0T-6cguA:
18.00
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.
6d95 -

(-) 		no annotation 5 GLY A 403
ILE A 501
PHE A 379
PHE A 398
GLY A 397
 None
 1.35A 3ko0R-6d95A:
undetectable
3ko0T-6d95A:
undetectable		 3ko0R-6d95A:
undetectable
3ko0T-6d95A:
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.
6eid ARCHAEAL-TYPE OPSIN
2

(Chlamydomonas
reinhardtii) 		no annotation 5 GLY A 185
ILE A 228
PHE A 237
PHE A 178
GLY A 163
 LYR  A 257 ( 4.2A)
None
OLC  A1101 (-3.4A)
OLC  A1101 ( 4.0A)
LYR  A 257 ( 3.7A)
 0.99A 3ko0R-6eidA:
undetectable
3ko0T-6eidA:
0.6		 3ko0R-6eidA:
18.81
3ko0T-6eidA:
18.81
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.
6eid ARCHAEAL-TYPE OPSIN
2

(Chlamydomonas
reinhardtii) 		no annotation 5 GLY A 185
PHE A 237
PHE A 178
GLY A 163
PHE A 230
 LYR  A 257 ( 4.2A)
OLC  A1101 (-3.4A)
OLC  A1101 ( 4.0A)
LYR  A 257 ( 3.7A)
LYR  A 257 ( 4.7A)
 1.48A 3ko0R-6eidA:
undetectable
3ko0T-6eidA:
0.6		 3ko0R-6eidA:
18.81
3ko0T-6eidA:
18.81
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 GLY B 298
ILE B 842
CYH B 813
GLY B 257
PHE B 263
 None
SF4  B1104 (-4.6A)
SF4  B1104 (-2.2A)
None
None
 1.23A 3ko0R-6f0kB:
undetectable
3ko0T-6f0kB:
undetectable		 3ko0R-6f0kB:
20.79
3ko0T-6f0kB:
20.79