SIMILAR PATTERNS OF AMINO ACIDS FOR 1EI6_D_PPFD412

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.
1gy8 UDP-GALACTOSE
4-EPIMERASE

(Trypanosoma
brucei) 		PF01370
(Epimerase) 		4 THR A 368
HIS A 207
HIS A  15
HIS A 272
 None
 0.95A 1ei6D-1gy8A:
0.7		 1ei6D-1gy8A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hfu LACCASE 1

(Coprinopsis
cinerea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 399
HIS A 453
HIS A 451
HIS A 401
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 702 (-3.2A)
CU  A 702 (-3.2A)
 0.94A 1ei6D-1hfuA:
0.0		 1ei6D-1hfuA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		4 THR A 151
ASP A 231
HIS A 290
HIS A  30
 None
 0.93A 1ei6D-1j5sA:
0.0		 1ei6D-1j5sA:
23.88
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 980
ILE A1027
HIS A 978
HIS A1020
HIS A 163
 CU  A1050 (-3.0A)
None
CU  A1052 ( 3.2A)
CU  A1050 (-3.2A)
CU  A1050 (-3.3A)
 1.14A 1ei6D-1kcwA:
0.0		 1ei6D-1kcwA:
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		4 ASP A 101
HIS A  63
HIS A  64
HIS A  97
 FE  A 302 (-2.3A)
FE  A 302 (-3.7A)
FE  A 301 (-3.3A)
None
 0.93A 1ei6D-1nmoA:
0.2		 1ei6D-1nmoA:
21.55
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.
1nmw PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
NIMA-INTERACTING 1

(Homo sapiens) 		PF00639
(Rotamase) 		4 PHE A 151
THR A 152
ILE A 156
HIS A  59
 None
 0.93A 1ei6D-1nmwA:
undetectable		 1ei6D-1nmwA:
14.77
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.
1vme FLAVOPROTEIN

(Thermotoga
maritima) 		PF00258
(Flavodoxin_1) 		4 ASP A 168
HIS A  85
HIS A  90
HIS A 151
 FEO  A 401 (-2.5A)
FEO  A 401 (-3.4A)
FEO  A 401 (-3.3A)
FEO  A 401 (-3.5A)
 0.78A 1ei6D-1vmeA:
1.6		 1ei6D-1vmeA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 THR A 191
ASP A 197
HIS A 196
ILE A 512
 None
 0.79A 1ei6D-1wz2A:
0.0		 1ei6D-1wz2A:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 PHE A 106
THR A 193
HIS A 147
HIS A  53
 None
 0.99A 1ei6D-1yw6A:
undetectable		 1ei6D-1yw6A:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zcn PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
NIMA-INTERACTING 1

(Homo sapiens) 		PF00397
(WW)
PF00639
(Rotamase) 		4 PHE A 151
THR A 152
ILE A 156
HIS A  59
 None
1PE  A 400 ( 4.6A)
None
1PE  A 400 ( 4.4A)
 0.83A 1ei6D-1zcnA:
undetectable		 1ei6D-1zcnA:
16.87
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		4 ASP A 323
HIS A  55
ILE A 183
HIS A 239
 CO  A1000 (-2.7A)
CO  A1000 (-3.3A)
None
CO  A1000 (-3.4A)
 1.01A 1ei6D-2amxA:
undetectable		 1ei6D-2amxA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		4 THR A  90
ASP A 210
HIS A 214
HIS A 363
 ZN  A1000 (-2.4A)
ZN  A1001 (-2.0A)
ZN  A1001 (-3.2A)
ZN  A1001 (-3.3A)
 0.54A 1ei6D-2gsnA:
28.0		 1ei6D-2gsnA:
24.11
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.
2gx8 NIF3-RELATED PROTEIN

(Bacillus cereus) 		PF01784
(NIF3) 		4 ASP A 107
HIS A  68
HIS A  69
HIS A 103
 ZN  A 375 (-2.3A)
ZN  A 375 (-3.3A)
ZN  A 374 (-3.4A)
ZN  A 375 (-4.8A)
 0.99A 1ei6D-2gx8A:
undetectable		 1ei6D-2gx8A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		4 ASP A 124
HIS A 123
HIS A 220
HIS A  98
 FE  A 302 ( 2.5A)
FE  A 301 ( 3.2A)
FE  A 302 (-3.2A)
FE  A 301 (-3.2A)
 0.71A 1ei6D-2huoA:
undetectable		 1ei6D-2huoA:
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.
2ibn INOSITOL OXYGENASE

(Homo sapiens) 		PF05153
(MIOX) 		4 ASP A 124
HIS A 123
HIS A 220
HIS A  98
 FE  A 704 (-2.5A)
FE  A 703 (-3.3A)
FE  A 704 ( 3.4A)
FE  A 703 (-3.2A)
 0.75A 1ei6D-2ibnA:
undetectable		 1ei6D-2ibnA:
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.
2o08 BH1327 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		4 ASP A  51
HIS A  50
HIS A 109
HIS A  21
 FE  A 401 (-2.6A)
FE  A 400 (-3.3A)
FE  A 401 (-3.4A)
FE  A 400 ( 3.3A)
 0.64A 1ei6D-2o08A:
undetectable		 1ei6D-2o08A:
17.43
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.
2ogi HYPOTHETICAL PROTEIN
SAG1661

(Streptococcus
agalactiae) 		PF01966
(HD) 		4 ASP A  59
HIS A  58
HIS A 117
HIS A  29
 FE  A 302 (-2.5A)
FE  A 301 (-3.5A)
FE  A 302 ( 3.3A)
FE  A 301 ( 3.4A)
 0.69A 1ei6D-2ogiA:
undetectable		 1ei6D-2ogiA:
17.83
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		4 ASP A 326
HIS A  79
HIS A 234
HIS A 273
 GUN  A 600 ( 2.5A)
ZN  A 500 ( 3.3A)
GUN  A 600 ( 2.8A)
GUN  A 600 (-3.9A)
 0.96A 1ei6D-2oodA:
undetectable		 1ei6D-2oodA:
22.72
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.
2oy4 NEUTROPHIL
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 ASP A 149
HIS A 147
ILE A 159
HIS A 175
 ZN  A 998 (-2.3A)
ZN  A 998 (-3.4A)
None
ZN  A 998 (-3.4A)
 0.89A 1ei6D-2oy4A:
undetectable		 1ei6D-2oy4A:
16.96
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.
2pq7 PREDICTED HD
SUPERFAMILY
HYDROLASE

(uncultured
Thermotogales
bacterium) 		PF01966
(HD) 		4 ASP A  66
HIS A  65
HIS A 111
HIS A  36
 FE  A 220 (-2.5A)
FE  A 221 (-3.4A)
FE  A 220 ( 3.4A)
FE  A 221 ( 3.3A)
 0.74A 1ei6D-2pq7A:
undetectable		 1ei6D-2pq7A:
18.51
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.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		4 ASP A 331
HIS A  86
HIS A 256
HIS A 279
 FE  A 500 (-2.8A)
FE  A 500 (-3.3A)
FE  A 500 (-3.6A)
None
 0.99A 1ei6D-2puzA:
undetectable		 1ei6D-2puzA:
22.17
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		4 THR A 169
ASP A 249
HIS A 307
HIS A  39
 None
 0.94A 1ei6D-2q01A:
undetectable		 1ei6D-2q01A:
22.73
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.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 4 ASP A 171
HIS A  85
HIS A  90
HIS A 152
 FEO  A 701 ( 2.5A)
FEO  A 701 (-3.5A)
FEO  A 701 (-3.3A)
FEO  A 701 ( 3.4A)
 0.86A 1ei6D-2q9uA:
undetectable		 1ei6D-2q9uA:
22.61
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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		4 THR A 483
ASP A 413
HIS A 372
HIS A 376
 MG  A   2 ( 4.9A)
MG  A   2 ( 2.6A)
NPV  A   3 (-4.6A)
ZN  A   1 (-3.3A)
 1.03A 1ei6D-2qykA:
undetectable		 1ei6D-2qykA:
23.76
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.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		4 THR A 795
ASP A 722
HIS A 681
HIS A 685
 MG  A   2 ( 4.7A)
MG  A   2 ( 2.6A)
IBM  A   3 ( 4.8A)
ZN  A   1 (-3.4A)
 1.00A 1ei6D-2r8qA:
undetectable		 1ei6D-2r8qA:
23.06
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.
2rdl CHYMASE 2

(Mesocricetus
auratus) 		PF00089
(Trypsin) 		4 PHE A 228
THR A 229
ASP A 102
HIS A  57
 None
 0.87A 1ei6D-2rdlA:
undetectable		 1ei6D-2rdlA:
21.73
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		4 ASP A 142
ILE A  53
HIS A 112
HIS A  18
 None
 0.99A 1ei6D-2yr0A:
undetectable		 1ei6D-2yr0A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yyb HYPOTHETICAL PROTEIN
TTHA1606

(Thermus
thermophilus) 		PF01784
(NIF3) 		4 ASP A 101
HIS A  64
HIS A  65
HIS A  97
 None
 0.95A 1ei6D-2yybA:
undetectable		 1ei6D-2yybA:
21.09
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.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		4 THR A 197
ASP A 221
HIS A 266
HIS A 180
 None
None
MES  A 504 (-4.0A)
MES  A 504 (-4.2A)
 0.99A 1ei6D-2zm2A:
undetectable		 1ei6D-2zm2A:
23.74
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.
3ba0 MACROPHAGE
METALLOELASTASE

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		4 ASP A 170
HIS A 168
ILE A 180
HIS A 196
 ZN  A 472 (-2.3A)
ZN  A 472 (-3.0A)
None
ZN  A 472 (-3.4A)
 1.00A 1ei6D-3ba0A:
undetectable		 1ei6D-3ba0A:
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.
3btp PROTEIN VIRE1
SINGLE-STRAND
DNA-BINDING PROTEIN

(Agrobacterium
fabrum) 		PF07229
(VirE2)
PF12189
(VirE1) 		4 PHE B  36
THR B  37
HIS A 315
ILE B  44
 NH4  B 602 ( 4.6A)
None
None
None
 0.99A 1ei6D-3btpB:
undetectable		 1ei6D-3btpB:
10.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ccg HD SUPERFAMILY
HYDROLASE

(Clostridium
acetobutylicum) 		PF01966
(HD) 		4 ASP A  52
HIS A  51
HIS A 111
HIS A  22
 FE  A 190 (-2.6A)
FE  A 191 (-3.7A)
FE  A 190 (-3.4A)
FE  A 191 ( 3.5A)
 0.68A 1ei6D-3ccgA:
undetectable		 1ei6D-3ccgA:
17.85
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 THR A1064
HIS A 757
ILE A1066
HIS A 762
 None
FE2  A1099 (-3.1A)
None
FE2  A1099 (-3.4A)
 0.99A 1ei6D-3dy5A:
undetectable		 1ei6D-3dy5A:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 THR A 668
ASP A 597
HIS A 556
HIS A 560
 MG  A   2 ( 4.7A)
MG  A   2 ( 2.8A)
None
ZN  A   1 (-3.4A)
 1.02A 1ei6D-3ecnA:
undetectable		 1ei6D-3ecnA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		4 ASP A 309
HIS A  42
ILE A 170
HIS A 225
 MCF  A 372 ( 2.4A)
ZN  A 371 (-3.3A)
None
ZN  A 371 ( 3.4A)
 1.01A 1ei6D-3ewdA:
undetectable		 1ei6D-3ewdA:
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		4 ASP A 313
HIS A  61
HIS A 214
HIS A 246
 FE  A 502 (-3.2A)
FE  A 502 (-3.1A)
FE  A 502 (-3.6A)
FE  A 502 ( 4.8A)
 1.01A 1ei6D-3g77A:
undetectable		 1ei6D-3g77A:
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		4 PHE A  21
HIS A  57
HIS A 170
HIS A  62
 None
ZN  A 256 (-3.5A)
ZN  A 256 (-3.6A)
ZN  A 256 ( 4.8A)
 1.03A 1ei6D-3h3eA:
undetectable		 1ei6D-3h3eA:
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.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		4 ASP A 152
HIS A 151
HIS A 216
HIS A 121
 FE  A 306 ( 2.5A)
FE  A 306 (-3.5A)
FE  A 305 (-3.4A)
FE  A 306 (-3.4A)
 0.66A 1ei6D-3hc1A:
undetectable		 1ei6D-3hc1A:
22.85
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 ASP A 347
HIS A  93
HIS A 259
HIS A 296
 ZN  A 480 (-3.2A)
ZN  A 480 (-3.3A)
ZN  A 480 (-3.5A)
ZN  A 480 ( 4.8A)
 0.97A 1ei6D-3hpaA:
undetectable		 1ei6D-3hpaA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		4 THR A 158
ASP A 239
HIS A 299
HIS A  33
 None
 0.94A 1ei6D-3iacA:
undetectable		 1ei6D-3iacA:
23.06
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		4 THR A 768
ASP A 697
HIS A 656
HIS A 660
 MG  A 905 (-4.3A)
ZN  A   1 ( 2.9A)
None
ZN  A   1 (-3.4A)
 1.02A 1ei6D-3ibjA:
undetectable		 1ei6D-3ibjA:
20.83
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.
3k6j PROTEIN F01G10.3,
CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 HIS A  -5
ILE A 187
HIS A  -6
HIS A 173
 ZN  A 800 (-3.1A)
None
None
ZN  A 800 (-3.0A)
 0.95A 1ei6D-3k6jA:
undetectable		 1ei6D-3k6jA:
22.63
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.
3lnl UPF0135 PROTEIN
SA1388

(Staphylococcus
aureus) 		PF01784
(NIF3) 		4 ASP A 106
HIS A  68
HIS A  69
HIS A 102
 ZN  A 401 ( 2.0A)
ZN  A 401 (-3.4A)
ZN  A 402 (-3.5A)
B3P  A 371 ( 4.8A)
 1.01A 1ei6D-3lnlA:
undetectable		 1ei6D-3lnlA:
22.48
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.
3mgg METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF13847
(Methyltransf_31) 		4 PHE A 188
THR A 265
ILE A 136
HIS A 106
 None
 0.98A 1ei6D-3mggA:
undetectable		 1ei6D-3mggA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 139
HIS A  96
HIS A  94
HIS A 141
 CU  A 603 ( 3.1A)
CU  A 603 ( 3.1A)
CU  A 604 ( 3.1A)
CU  A 602 ( 3.3A)
 1.00A 1ei6D-3ppsA:
undetectable		 1ei6D-3ppsA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxl LACCASE

(Trametes
hirsuta) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A  77
HIS A 400
HIS A 398
HIS A  64
 None
CU  A1500 ( 3.2A)
CU  A1502 ( 2.9A)
CU  A1502 ( 3.0A)
 1.03A 1ei6D-3pxlA:
undetectable		 1ei6D-3pxlA:
21.06
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		4 THR A  89
ASP A 300
HIS A 304
HIS A 491
 ZN  A1559 ( 2.6A)
ZN  A1561 ( 2.1A)
ZN  A1561 ( 3.2A)
ZN  A1561 ( 3.2A)
 0.44A 1ei6D-3q3qA:
25.3		 1ei6D-3q3qA:
23.83
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.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 ASP A 296
HIS A 355
HIS A 354
HIS A 351
 None
 1.02A 1ei6D-3rcnA:
undetectable		 1ei6D-3rcnA:
23.76
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.
3re3 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Francisella
tularensis) 		PF02542
(YgbB) 		4 PHE A  14
THR A  15
ASP A  39
HIS A  12
 None
 0.75A 1ei6D-3re3A:
undetectable		 1ei6D-3re3A:
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.
3rzu STAM-BINDING PROTEIN

(Homo sapiens) 		PF01398
(JAB) 		4 HIS A 396
ILE A 387
HIS A 350
HIS A 398
 ZN  A   2 (-3.5A)
None
ZN  A   2 (-3.5A)
ZN  A   2 (-3.4A)
 0.94A 1ei6D-3rzuA:
undetectable		 1ei6D-3rzuA:
19.01
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.
3rzv STAM-BINDING PROTEIN

(Homo sapiens) 		PF01398
(JAB) 		4 HIS A 396
ILE A 387
HIS A 350
HIS A 398
 ZN  A   2 (-3.2A)
None
ZN  A   2 (-3.3A)
ZN  A   2 (-3.2A)
 0.95A 1ei6D-3rzvA:
undetectable		 1ei6D-3rzvA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t02 PHOSPHONOACETATE
HYDROLASE

(Sinorhizobium
meliloti) 		PF01663
(Phosphodiest) 		4 PHE A  67
ASP A  29
HIS A 215
HIS A 251
 None
ZN  A 501 ( 2.2A)
ZN  A 502 ( 3.3A)
ZN  A 501 ( 3.0A)
 0.98A 1ei6D-3t02A:
60.3		 1ei6D-3t02A:
54.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t02 PHOSPHONOACETATE
HYDROLASE

(Sinorhizobium
meliloti) 		PF01663
(Phosphodiest) 		5 PHE A  67
ASP A 211
HIS A 215
ILE A 287
HIS A 377
 None
ZN  A 502 (-2.2A)
ZN  A 502 ( 3.3A)
None
ZN  A 502 ( 3.2A)
 0.61A 1ei6D-3t02A:
60.3		 1ei6D-3t02A:
54.29
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.
3tmc UNCHARACTERIZED
PROTEIN

(Bdellovibrio
bacteriovorus) 		PF13487
(HD_5) 		4 ASP A 184
HIS A 183
HIS A 237
HIS A 150
 FE  A 310 (-2.5A)
FE  A 310 (-3.4A)
FE  A 309 (-3.4A)
FE  A 310 ( 3.3A)
 0.58A 1ei6D-3tmcA:
undetectable		 1ei6D-3tmcA:
21.50
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.
3vx8 AUTOPHAGY-RELATED
PROTEIN 3

(Arabidopsis
thaliana) 		PF03986
(Autophagy_N)
PF03987
(Autophagy_act_C)
PF10381
(Autophagy_C) 		5 PHE B  72
THR B 200
HIS B 252
ILE B  74
HIS B 245
 None
 1.38A 1ei6D-3vx8B:
undetectable		 1ei6D-3vx8B:
17.92
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.
3wfo POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		4 ASP A 326
HIS A 325
HIS A 377
HIS A 276
 None
 0.91A 1ei6D-3wfoA:
undetectable		 1ei6D-3wfoA:
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.
3wfp POLY A POLYMERASE

(Aquifex
aeolicus;
synthetic
construct) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		4 ASP A 326
HIS A 325
HIS A 377
HIS A 276
 None
 1.01A 1ei6D-3wfpA:
undetectable		 1ei6D-3wfpA:
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 PHE B  55
HIS B 427
ILE B  74
HIS B  82
 None
None
OCS  B  75 ( 3.9A)
FCO  B 500 (-4.3A)
 1.00A 1ei6D-3ze7B:
undetectable		 1ei6D-3ze7B:
24.70
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		4 ASP A 103
ILE A 186
HIS A 188
HIS A 132
 None
 1.01A 1ei6D-4aovA:
undetectable		 1ei6D-4aovA:
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 THR A 238
ASP A 358
HIS A 362
HIS A 517
 ZN  A1002 ( 2.3A)
ZN  A1001 (-2.1A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.3A)
 0.45A 1ei6D-4b56A:
15.3		 1ei6D-4b56A:
19.07
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 ASP V 612
HIS V 884
HIS V 882
HIS V 598
 None
 0.98A 1ei6D-4bxsV:
undetectable		 1ei6D-4bxsV:
14.21
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 PHE A 817
THR A 818
HIS A 617
HIS A 673
 None
 0.90A 1ei6D-4c3hA:
undetectable		 1ei6D-4c3hA:
13.15
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.
4ifr 2-AMINO-3-CARBOXYMUC
ONATE 6-SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
fluorescens) 		PF04909
(Amidohydro_2) 		4 ASP A 294
HIS A   9
HIS A 177
HIS A 228
 ZN  A 401 (-2.8A)
ZN  A 401 (-3.5A)
ZN  A 401 (-3.6A)
ZN  A 401 ( 4.7A)
 0.88A 1ei6D-4ifrA:
undetectable		 1ei6D-4ifrA:
23.78
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.
4igm 2-AMINO-3-CARBOXYMUC
ONATE-6-SEMIALDEHYDE
DECARBOXYLASE

(Homo sapiens) 		PF04909
(Amidohydro_2) 		4 ASP A 291
HIS A   6
HIS A 174
HIS A 224
 ZN  A 401 (-3.0A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.3A)
None
 0.91A 1ei6D-4igmA:
undetectable		 1ei6D-4igmA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		4 ILE A 216
HIS A 220
HIS A 222
HIS A  86
 None
 0.98A 1ei6D-4j34A:
undetectable		 1ei6D-4j34A:
22.34
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.
4low ACRAF

(Thiomonas
intermedia) 		PF01329
(Pterin_4a) 		4 PHE A  34
THR A  31
HIS A   4
HIS A   6
 None
 1.01A 1ei6D-4lowA:
undetectable		 1ei6D-4lowA:
13.59
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.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 THR A  70
ASP A 189
HIS A 193
HIS A 336
 ZN  A 505 ( 2.4A)
ZN  A 506 ( 2.1A)
ZN  A 506 ( 3.3A)
ZN  A 506 ( 3.3A)
 0.44A 1ei6D-4lr2A:
16.4		 1ei6D-4lr2A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m8d PUTATIVE
UNCHARACTERIZED
PROTEIN

(Labrenzia
aggregata) 		PF04199
(Cyclase) 		5 THR A 197
ASP A  79
HIS A  77
ILE A 195
HIS A  73
 None
MN  A 301 ( 2.5A)
MN  A 301 ( 3.3A)
None
MN  A 301 ( 3.3A)
 1.23A 1ei6D-4m8dA:
undetectable		 1ei6D-4m8dA:
23.08
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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 ASP A  59
HIS A  58
HIS A 104
HIS A  34
 ODV  A 203 (-2.3A)
FE  A 201 (-3.2A)
FE  A 202 ( 3.3A)
FE  A 201 (-3.4A)
 0.68A 1ei6D-4mlnA:
undetectable		 1ei6D-4mlnA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mvc CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE
A

(Rattus
norvegicus) 		PF01467
(CTP_transf_like) 		4 PHE A 124
THR A 125
ASP A 115
HIS A 119
 None
 0.99A 1ei6D-4mvcA:
undetectable		 1ei6D-4mvcA:
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.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 ASP A  59
HIS A  58
HIS A 104
HIS A  34
 FE  A 202 (-2.6A)
FE  A 202 (-3.3A)
FE  A 201 ( 3.4A)
FE  A 202 ( 3.3A)
 0.68A 1ei6D-4n6wA:
undetectable		 1ei6D-4n6wA:
20.34
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.
4n9w GDP-MANNOSE-DEPENDEN
T
ALPHA-(1-2)-PHOSPHAT
IDYLINOSITOL
MANNOSYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF13439
(Glyco_transf_4)
PF13692
(Glyco_trans_1_4) 		4 HIS A  94
ILE A 356
HIS A  92
HIS A  20
 None
 0.96A 1ei6D-4n9wA:
undetectable		 1ei6D-4n9wA:
20.92
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		4 ASP A  99
HIS A  98
HIS A 171
HIS A  52
 NI  A1001 (-2.7A)
NI  A1001 (-3.4A)
NI  A1002 (-3.3A)
NI  A1001 (-3.2A)
 0.77A 1ei6D-4q2cA:
undetectable		 1ei6D-4q2cA:
18.35
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.
4r8z CYCLIC DI-GMP
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF13487
(HD_5) 		4 ASP A 221
HIS A 220
HIS A 281
HIS A 180
 NI  A 402 ( 2.7A)
NI  A 401 (-3.2A)
NI  A 402 (-3.2A)
NI  A 401 (-3.3A)
 0.81A 1ei6D-4r8zA:
undetectable		 1ei6D-4r8zA:
20.15
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.
4rv2 UPF0336 PROTEIN
MSMEG_1340/MSMEI_130
2

(Mycolicibacterium
smegmatis) 		PF13452
(MaoC_dehydrat_N) 		4 PHE A  59
THR A  58
ILE A  62
HIS A  28
 None
 0.95A 1ei6D-4rv2A:
undetectable		 1ei6D-4rv2A:
14.68
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.
4s1b LMO1466 PROTEIN

(Listeria
monocytogenes) 		PF01966
(HD) 		4 ASP A 544
HIS A 543
HIS A 604
HIS A 514
 FE  A 802 (-2.7A)
FE  A 802 (-3.4A)
FE  A 801 (-3.5A)
FE  A 802 ( 3.4A)
 0.66A 1ei6D-4s1bA:
undetectable		 1ei6D-4s1bA:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tns PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
NIMA-INTERACTING 1

(Homo sapiens) 		PF00639
(Rotamase) 		4 PHE A 151
THR A 152
ILE A 156
HIS A  59
 None
None
None
REA  A 201 (-4.7A)
 0.80A 1ei6D-4tnsA:
undetectable		 1ei6D-4tnsA:
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.
4tnu ASPARTOACYLASE

(Homo sapiens) 		PF04952
(AstE_AspA) 		4 THR A  53
ASP A 114
HIS A 116
HIS A  21
 None
None
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.2A)
 1.03A 1ei6D-4tnuA:
undetectable		 1ei6D-4tnuA:
20.62
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2

(Homo sapiens) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 THR A 210
ASP A 312
HIS A 316
HIS A 475
 ZN  A 904 ( 2.6A)
ZN  A 903 ( 2.0A)
ZN  A 903 ( 3.2A)
ZN  A 903 ( 3.3A)
 0.43A 1ei6D-4zg7A:
5.0		 1ei6D-4zg7A:
19.35
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.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 PHE A 357
HIS A 272
HIS A 271
HIS A 268
HIS A 348
 None
ZN  A 402 (-3.4A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.5A)
ZN  A 402 (-3.3A)
 1.45A 1ei6D-4zr0A:
undetectable		 1ei6D-4zr0A:
22.52
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 PHE A 357
HIS A 272
HIS A 271
HIS A 268
HIS A 348
 None
ZN  A 402 (-3.5A)
ZN  A 401 ( 3.4A)
ZN  A 402 (-3.3A)
ZN  A 402 (-3.3A)
 1.49A 1ei6D-4zr1A:
undetectable		 1ei6D-4zr1A:
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		4 HIS A  31
ILE A 297
HIS A  99
HIS A  36
 ZN  A1321 (-3.3A)
None
ZN  A1321 ( 3.4A)
ZN  A1320 ( 3.4A)
 0.97A 1ei6D-5ahoA:
undetectable		 1ei6D-5ahoA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 THR A 334
ASP A 264
HIS A 223
HIS A 227
 MG  A 602 ( 4.9A)
MG  A 602 ( 2.6A)
4QJ  A 603 ( 4.9A)
ZN  A 601 (-3.4A)
 1.02A 1ei6D-5b25A:
undetectable		 1ei6D-5b25A:
23.81
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.
5b4c UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00149
(Metallophos) 		4 ASP A  41
HIS A 114
ILE A 171
HIS A 195
 MN  A 301 (-2.6A)
MN  A 301 (-3.5A)
GOL  A 302 (-4.7A)
MN  A 301 ( 3.4A)
 0.90A 1ei6D-5b4cA:
undetectable		 1ei6D-5b4cA:
19.71
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A 124
HIS A 123
HIS A 220
HIS A 352
 CA  A1102 ( 2.6A)
CA  A1102 (-3.9A)
CA  A1101 (-3.7A)
CA  A1102 (-3.6A)
 0.72A 1ei6D-5b7iA:
undetectable		 1ei6D-5b7iA:
17.33
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 THR A 185
ASP A 305
HIS A 309
HIS A 462
 ZN  A 902 (-2.7A)
ZN  A 901 (-2.2A)
ZN  A 901 (-3.1A)
ZN  A 901 (-3.2A)
 0.38A 1ei6D-5gz4A:
27.7		 1ei6D-5gz4A:
20.29
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.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 4 THR A 783
ASP A 710
HIS A 669
HIS A 673
 MG  A1002 ( 4.9A)
MG  A1002 ( 2.6A)
None
ZN  A1001 (-3.4A)
 0.98A 1ei6D-5h2rA:
undetectable		 1ei6D-5h2rA:
20.45
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.
5i35 ATYPICAL KINASE
ADCK3, MITOCHONDRIAL

(Homo sapiens) 		PF03109
(ABC1) 		4 THR A 606
HIS A 559
ILE A 525
HIS A 610
 None
 1.00A 1ei6D-5i35A:
undetectable		 1ei6D-5i35A:
23.17
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.
5ikk HISTONE DEACETYLASE
CLR3

(Schizosaccharomyces
pombe) 		PF00850
(Hist_deacetyl)
PF09757
(Arb2) 		4 ASP A 234
HIS A 195
ILE A 334
HIS A 236
 ZN  A 701 ( 1.7A)
ZN  A 701 (-2.9A)
None
ZN  A 701 ( 3.1A)
 1.00A 1ei6D-5ikkA:
2.1		 1ei6D-5ikkA:
21.00
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.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B) 		4 ASP A 166
HIS A  79
HIS A  84
HIS A 147
 FEO  A 501 ( 2.5A)
FEO  A 501 (-3.3A)
FEO  A 501 (-3.2A)
FEO  A 501 ( 3.4A)
 0.87A 1ei6D-5lmcA:
undetectable		 1ei6D-5lmcA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mkm TWO-DOMAIN LACCASE

(Streptomyces
griseoflavus) 		no annotation 4 HIS A 103
HIS A 159
HIS A 157
HIS A 105
 OXY  A 403 ( 3.9A)
OXY  A 403 (-3.5A)
CU  A 402 ( 3.2A)
CU  A 402 (-3.2A)
 0.97A 1ei6D-5mkmA:
undetectable		 1ei6D-5mkmA:
12.43
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.
5nmp ISATIN HYDROLASE

(Ralstonia
solanacearum) 		no annotation 4 THR A 199
ASP A  80
ILE A 197
HIS A  74
 None
MN  A 301 ( 2.4A)
None
MN  A 301 ( 3.2A)
 0.89A 1ei6D-5nmpA:
undetectable		 1ei6D-5nmpA:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5osh VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 29

(Homo sapiens) 		no annotation 4 PHE A  63
ASP A   8
HIS A 117
HIS A  10
 None
 0.81A 1ei6D-5oshA:
undetectable		 1ei6D-5oshA:
11.90
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.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 THR A  75
ASP A 199
HIS A 203
HIS A 353
 ZN  A 501 (-2.6A)
ZN  A 502 (-2.3A)
ZN  A 502 (-3.3A)
ZN  A 502 (-3.3A)
 0.43A 1ei6D-5udyA:
28.5		 1ei6D-5udyA:
21.65
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.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 THR A  72
ASP A 191
HIS A 195
HIS A 339
 ZN  A 501 (-2.4A)
ZN  A 502 (-2.0A)
ZN  A 502 (-3.2A)
ZN  A 502 (-3.2A)
 0.37A 1ei6D-5vemA:
8.1		 1ei6D-5vemA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 4 THR A 205
ASP A 325
HIS A 329
HIS A 483
 ZN  A 902 (-2.5A)
ZN  A 901 ( 2.1A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.37A 1ei6D-6c01A:
13.6		 1ei6D-6c01A:
10.48
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.
6c66 CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY

(Thermobifida
fusca) 		no annotation 4 ASP G  84
HIS G  83
HIS G 149
HIS G  37
 FE  G1001 ( 2.0A)
FE  G1002 ( 3.5A)
FE  G1001 (-3.2A)
FE  G1002 (-3.4A)
 0.84A 1ei6D-6c66G:
undetectable		 1ei6D-6c66G:
10.34
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 5 THR A 451
ASP A 416
HIS A 379
HIS A 375
HIS A 460
 None
None
ZN  A 601 (-3.2A)
None
None
 1.38A 1ei6D-6eomA:
undetectable		 1ei6D-6eomA:
10.10
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.
6f2t -

(-) 		no annotation 4 THR A 206
ASP A 326
HIS A 330
HIS A 483
 ZN  A1002 ( 2.5A)
ZN  A1003 ( 2.1A)
ZN  A1003 (-3.2A)
ZN  A1003 ( 3.1A)
 0.50A 1ei6D-6f2tA:
27.3		 1ei6D-6f2tA:
undetectable