SIMILAR PATTERNS OF AMINO ACIDS FOR 2W8Y_A_486A1000_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.
1c1k BPT4 GENE 59
HELICASE ASSEMBLY
PROTEIN

(Escherichia
virus T4) 		PF08993
(T4_Gp59_N)
PF08994
(T4_Gp59_C) 		5 LEU A  71
TRP A  41
MET A   6
LEU A 106
VAL A  36
 None
 1.30A 2w8yA-1c1kA:
undetectable		 2w8yA-1c1kA:
22.06
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.
1d9n METHYL-CPG-BINDING
PROTEIN MBD1

(Homo sapiens) 		PF01429
(MBD) 		5 LEU A  49
GLY A  14
PHE A  62
LEU A  69
CYH A  57
 None
 1.30A 2w8yA-1d9nA:
undetectable		 2w8yA-1d9nA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 146
LEU A 139
GLY A 432
PHE A  67
VAL A 468
 None
 1.36A 2w8yA-1itzA:
undetectable		 2w8yA-1itzA:
17.45
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.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		5 GLY A  52
MET A  66
LEU A 160
CYH A 107
VAL A 118
 None
 1.28A 2w8yA-1k72A:
undetectable		 2w8yA-1k72A:
16.67
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(ACYLATING)

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF01118
(Semialdhyde_dh)
PF07836
(DmpG_comm)
PF09290
(AcetDehyd-dimer) 		5 LEU B 263
GLY A  65
GLN A  26
PHE B 266
LEU B 214
 None
None
SO4  A3513 ( 3.8A)
None
None
 1.37A 2w8yA-1nvmB:
undetectable		 2w8yA-1nvmB:
20.43
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.
1s0h HEMOGLOBIN ALPHA
CHAIN

(Equus asinus) 		PF00042
(Globin) 		5 LEU A  29
GLY A  25
PHE A  98
LEU A 136
VAL A  17
 None
None
HEM  A 142 (-3.4A)
None
None
 1.42A 2w8yA-1s0hA:
undetectable		 2w8yA-1s0hA:
20.75
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.
1us2 ENDO-BETA-1,4-XYLANA
SE

(Cellvibrio
japonicus) 		PF00331
(Glyco_hydro_10)
PF03426
(CBM_15) 		5 LEU A 166
GLY A 219
TRP A 103
PHE A 159
VAL A  97
 None
 1.24A 2w8yA-1us2A:
undetectable		 2w8yA-1us2A:
16.82
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.
1w2l CYTOCHROME OXIDASE
SUBUNIT II

(Rhodothermus
marinus) 		PF00034
(Cytochrom_C) 		5 LEU A  29
GLY A  31
MET A  76
PHE A  94
LEU A  91
 None
HEM  A1100 ( 3.7A)
HEM  A1100 (-2.2A)
None
HEM  A1100 ( 4.1A)
 1.28A 2w8yA-1w2lA:
undetectable		 2w8yA-1w2lA:
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.
1x40 ARAP2

(Homo sapiens) 		PF00536
(SAM_1) 		5 LEU A  68
LEU A  27
LEU A  52
CYH A  45
VAL A  16
 None
 1.35A 2w8yA-1x40A:
undetectable		 2w8yA-1x40A:
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.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 327
TRP A 361
MET A 362
ARG A 372
LEU A 401
 None
 0.75A 2w8yA-1xb7A:
25.7		 2w8yA-1xb7A:
27.17
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.
1xmw CHIMERIC CD3 MOUSE
EPSILON AND SHEEP
DELTA ECTODOMAIN
FRAGMENT COMPLEX

(Mus musculus;
Ovis aries) 		PF16680
(Ig_4)
PF16681
(Ig_5) 		5 LEU A  75
GLY A  35
GLN A  36
PHE A  51
LEU A  48
 None
 1.27A 2w8yA-1xmwA:
undetectable		 2w8yA-1xmwA:
19.92
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.
1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 327
LEU A  32
GLY A  63
GLN A  64
VAL A 126
 None
 1.37A 2w8yA-1y9aA:
undetectable		 2w8yA-1y9aA:
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 158
LEU A 153
GLY A 143
PHE A 182
VAL A 133
 None
None
FAD  A 501 ( 3.9A)
None
FAD  A 501 (-4.2A)
 1.30A 2w8yA-1zr6A:
undetectable		 2w8yA-1zr6A:
19.92
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.
2a6p POSSIBLE
PHOSPHOGLYCERATE
MUTASE GPM2

(Mycobacterium
tuberculosis) 		PF00300
(His_Phos_1) 		5 LEU A  83
TRP A 109
PHE A 144
LEU A  10
VAL A 108
 None
 1.34A 2w8yA-2a6pA:
undetectable		 2w8yA-2a6pA:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 700
LEU A 707
GLY A 708
GLN A 711
ARG A 752
 None
BHM  A   1 ( 4.2A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 (-3.8A)
 1.38A 2w8yA-2ax9A:
34.7		 2w8yA-2ax9A:
53.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 701
LEU A 707
GLY A 708
GLN A 711
MET A 742
MET A 745
ARG A 752
 None
BHM  A   1 ( 4.2A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.9A)
BHM  A   1 (-3.8A)
 0.55A 2w8yA-2ax9A:
34.7		 2w8yA-2ax9A:
53.85
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.
2axq SACCHAROPINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 LEU A 124
GLY A 123
PHE A 228
LEU A 231
VAL A  95
 None
 1.31A 2w8yA-2axqA:
undetectable		 2w8yA-2axqA:
21.70
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.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 391
GLY A 408
GLN A 416
ARG A 143
LEU A 344
 None
 1.43A 2w8yA-2bihA:
undetectable		 2w8yA-2bihA:
19.96
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 LEU A  83
GLY A  82
MET A 447
PHE A 168
VAL A 466
 None
FMT  A1802 ( 4.2A)
None
None
None
 1.35A 2w8yA-2c4mA:
undetectable		 2w8yA-2c4mA:
13.99
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 LEU A 353
GLY A 170
ARG A 378
PHE A 244
LEU A 278
 None
 1.30A 2w8yA-2dc0A:
undetectable		 2w8yA-2dc0A:
20.23
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.
2dwc 433AA LONG
HYPOTHETICAL
PHOSPHORIBOSYLGLYCIN
AMIDE FORMYL
TRANSFERASE

(Pyrococcus
horikoshii) 		PF02222
(ATP-grasp) 		5 LEU A 316
LEU A 324
GLY A 323
PHE A 337
VAL A   3
 None
 1.26A 2w8yA-2dwcA:
undetectable		 2w8yA-2dwcA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e1t ACYL TRANSFERASE

(Chrysanthemum x
morifolium) 		PF02458
(Transferase) 		5 LEU A 114
GLY A 161
TRP A 399
LEU A 405
VAL A  61
 None
 1.35A 2w8yA-2e1tA:
undetectable		 2w8yA-2e1tA:
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.
2g9n EUKARYOTIC
INITIATION FACTOR
4A-I

(Homo sapiens) 		PF00270
(DEAD) 		5 LEU A 181
GLN A  93
PHE A 200
LEU A 203
VAL A 120
 None
None
None
MLY  A 202 ( 4.2A)
None
 1.44A 2w8yA-2g9nA:
undetectable		 2w8yA-2g9nA:
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.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 265
LEU A 271
TRP A 305
MET A 306
ARG A 316
LEU A 345
 None
OHT  A 500 ( 4.4A)
None
OHT  A 500 (-3.9A)
OHT  A 500 (-3.8A)
OHT  A 500 (-4.3A)
 0.74A 2w8yA-2gpvA:
25.7		 2w8yA-2gpvA:
28.47
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.
2h98 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		5 LEU A 105
LEU A 111
GLN A 115
PHE A 144
LEU A 142
 None
 1.41A 2w8yA-2h98A:
undetectable		 2w8yA-2h98A:
24.71
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.
2ilx 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Rattus
norvegicus) 		PF05881
(CNPase) 		5 LEU A 192
GLY A  26
GLN A  27
PHE A  39
VAL A 151
 None
 1.34A 2w8yA-2ilxA:
undetectable		 2w8yA-2ilxA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 5 GLY A 589
TRP A 975
MET A 570
LEU A1087
VAL A 971
 None
 1.14A 2w8yA-2po4A:
undetectable		 2w8yA-2po4A:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 LEU A 209
LEU A 172
GLY A  95
TRP A 104
VAL A 105
 None
 1.39A 2w8yA-2pplA:
undetectable		 2w8yA-2pplA:
18.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		9 LEU A  29
LEU A  35
GLN A  39
TRP A  69
MET A  70
MET A  73
ARG A  80
LEU A 111
CYH A 205
 1CA  A 247 ( 3.6A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.8A)
None
1CA  A 247 (-4.0A)
 0.69A 2w8yA-2q3yA:
37.5		 2w8yA-2q3yA:
62.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		5 LEU A  66
LEU A  31
GLY A 104
LEU A 168
VAL A 222
 None
None
None
EDO  A 278 ( 4.8A)
None
 1.40A 2w8yA-2qruA:
undetectable		 2w8yA-2qruA:
22.67
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		5 LEU A 125
LEU A 107
GLY A 104
PHE A 208
LEU A 205
 None
 1.19A 2w8yA-2qruA:
undetectable		 2w8yA-2qruA:
22.67
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 GLY A  53
MET A  67
LEU A 161
CYH A 108
VAL A 119
 None
 1.32A 2w8yA-2xfgA:
undetectable		 2w8yA-2xfgA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ymv ACG NITROREDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 260
LEU A 268
GLY A 303
LEU A 239
VAL A 211
 None
 1.41A 2w8yA-2ymvA:
undetectable		 2w8yA-2ymvA:
21.36
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.
3aeb SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
CYTOCHROME B SMALL
SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL

(Sus scrofa) 		PF05328
(CybS)
PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 LEU D 106
GLY D  83
GLN D  86
ARG B 214
VAL D  49
 None
HEM  C1305 (-3.4A)
None
None
None
 1.28A 2w8yA-3aebD:
undetectable		 2w8yA-3aebD:
19.15
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.
3b1e BETAC-S LYASE

(Streptococcus
anginosus) 		PF00155
(Aminotran_1_2) 		5 LEU A 229
LEU A 253
GLN A 256
LEU A 165
VAL A 263
 None
 1.36A 2w8yA-3b1eA:
undetectable		 2w8yA-3b1eA:
22.19
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.
3ce9 GLYCEROL
DEHYDROGENASE

(Clostridium
acetobutylicum) 		PF13685
(Fe-ADH_2) 		5 LEU A 256
LEU A 265
GLY A 267
LEU A 352
VAL A 173
 None
 1.38A 2w8yA-3ce9A:
undetectable		 2w8yA-3ce9A:
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.
3fgw PUTATIVE
PHOSPHOLIPASE B-LIKE
2

(Mus musculus) 		PF04916
(Phospholip_B) 		5 LEU A 197
GLY A 124
PHE A 304
LEU A 302
VAL A  89
 None
 1.33A 2w8yA-3fgwA:
undetectable		 2w8yA-3fgwA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fmf DETHIOBIOTIN
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF13500
(AAA_26) 		5 LEU A 143
LEU A 177
GLY A 176
TRP A 171
LEU A 146
 DSD  A 250 (-4.7A)
None
None
None
DSD  A 250 (-3.7A)
 1.19A 2w8yA-3fmfA:
undetectable		 2w8yA-3fmfA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3glb HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		5 LEU A 105
LEU A 111
GLN A 115
PHE A 144
LEU A 142
 None
 1.34A 2w8yA-3glbA:
undetectable		 2w8yA-3glbA:
25.45
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.
3k10 PROTEIN STN1

(Saccharomyces
cerevisiae) 		PF12659
(Stn1_C) 		5 LEU A 336
LEU A 388
GLY A 387
PHE A 373
LEU A 376
 None
 1.33A 2w8yA-3k10A:
undetectable		 2w8yA-3k10A:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 LEU A 715
LEU A 721
GLY A 722
GLN A 725
MET A 756
MET A 759
ARG A 766
PHE A 794
CYH A 891
VAL A 912
 WOW  A   1 (-3.9A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.4A)
WOW  A   1 (-3.5A)
None
 0.69A 2w8yA-3kbaA:
40.3		 2w8yA-3kbaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 715
MET A 756
MET A 759
PHE A 794
LEU A 797
CYH A 891
VAL A 912
 WOW  A   1 (-3.9A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.4A)
WOW  A   1 ( 4.5A)
WOW  A   1 (-3.5A)
None
 0.97A 2w8yA-3kbaA:
40.3		 2w8yA-3kbaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 715
TRP A 755
MET A 756
PHE A 794
CYH A 891
 WOW  A   1 (-3.9A)
None
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.4A)
WOW  A   1 (-3.5A)
 1.05A 2w8yA-3kbaA:
40.3		 2w8yA-3kbaA:
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.
3ksx NITRATE TRANSPORT
PROTEIN

(Xanthomonas
citri) 		PF09084
(NMT1) 		5 LEU A 100
GLY A  84
GLN A  36
LEU A  91
VAL A 276
 None
None
MPO  A 325 (-3.1A)
None
None
 1.12A 2w8yA-3ksxA:
undetectable		 2w8yA-3ksxA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 LEU A 191
GLY A 187
GLN A 364
PHE A  37
LEU A  33
 None
 1.11A 2w8yA-3n0qA:
undetectable		 2w8yA-3n0qA:
19.70
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.
3o4z TELOMERE LENGTH
REGULATION PROTEIN
TEL2

(Saccharomyces
cerevisiae) 		PF10193
(Telomere_reg-2) 		5 LEU A 105
LEU A 150
GLY A 146
MET A 185
LEU A 171
 None
 1.44A 2w8yA-3o4zA:
undetectable		 2w8yA-3o4zA:
18.11
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.
3ome ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 LEU A 116
GLY A 113
GLN A  25
LEU A  92
VAL A 135
 None
 1.44A 2w8yA-3omeA:
undetectable		 2w8yA-3omeA:
21.90
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 153
LEU A 148
GLY A 138
PHE A 184
VAL A 128
 None
None
FAD  A 499 (-3.5A)
None
FAD  A 499 (-4.1A)
 1.23A 2w8yA-3popA:
undetectable		 2w8yA-3popA:
19.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		5 GLY A  36
TRP A  69
MET A  70
MET A  73
PHE A  98
 1CA  A 249 ( 4.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
None
 1.25A 2w8yA-3ry9A:
36.6		 2w8yA-3ry9A:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		5 LEU A  28
LEU A  35
GLY A  36
GLN A  39
ARG A  80
 None
1CA  A 249 ( 4.4A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 (-3.5A)
 1.38A 2w8yA-3ry9A:
36.6		 2w8yA-3ry9A:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		7 LEU A  29
GLY A  36
GLN A  39
MET A  70
ARG A  80
LEU A 111
CYH A 205
 1CA  A 249 ( 3.8A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
None
1CA  A 249 (-4.0A)
 0.76A 2w8yA-3ry9A:
36.6		 2w8yA-3ry9A:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		6 LEU A  29
GLY A  37
GLN A  39
TRP A  69
MET A  70
CYH A 205
 1CA  A 249 ( 3.8A)
None
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-4.0A)
 1.23A 2w8yA-3ry9A:
36.6		 2w8yA-3ry9A:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		9 LEU A  29
LEU A  35
GLY A  36
GLN A  39
TRP A  69
MET A  70
MET A  73
ARG A  80
CYH A 205
 1CA  A 249 ( 3.8A)
1CA  A 249 ( 4.4A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
1CA  A 249 (-3.5A)
1CA  A 249 (-4.0A)
 0.57A 2w8yA-3ry9A:
36.6		 2w8yA-3ry9A:
61.92
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 LEU A 448
LEU A  41
GLY A  40
TRP A  71
VAL A  36
 None
 1.13A 2w8yA-3t3oA:
undetectable		 2w8yA-3t3oA:
19.60
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.
3ve2 TRANSFERRIN-BINDING
PROTEIN 2

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 LEU A 382
LEU A 490
GLY A 651
LEU A 397
VAL A 638
 None
 1.32A 2w8yA-3ve2A:
undetectable		 2w8yA-3ve2A:
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.
4a35 MITOCHONDRIAL
ENOLASE SUPERFAMILY
MEMBER 1

(Homo sapiens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 123
LEU A 129
GLN A 133
PHE A  95
CYH A 153
 None
 1.06A 2w8yA-4a35A:
undetectable		 2w8yA-4a35A:
20.31
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 LEU A 133
GLY A 132
ARG A  28
PHE A 200
VAL A 253
 None
 1.39A 2w8yA-4a69A:
undetectable		 2w8yA-4a69A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 LEU B 139
GLY B 138
ARG B  34
PHE B 205
VAL B 258
 None
 1.36A 2w8yA-4bkxB:
undetectable		 2w8yA-4bkxB:
19.83
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.
4ccs CBIX

(Paracoccus
pantotrophus) 		PF01903
(CbiX) 		5 LEU A 206
LEU A 211
GLY A 210
ARG A  29
CYH A 102
 None
 1.19A 2w8yA-4ccsA:
undetectable		 2w8yA-4ccsA:
21.03
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.
4do7 AMIDOHYDROLASE 2

(Burkholderia
multivorans) 		PF04909
(Amidohydro_2) 		5 LEU A 249
GLY A 204
ARG A 106
LEU A  39
VAL A 261
 None
None
ZN  A 401 ( 4.4A)
None
None
 1.28A 2w8yA-4do7A:
undetectable		 2w8yA-4do7A:
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		5 GLY A  74
MET A  88
LEU A 182
CYH A 129
VAL A 140
 None
 1.28A 2w8yA-4doeA:
undetectable		 2w8yA-4doeA:
18.32
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.
4ffw FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU D   4
GLY D 108
MET D  37
PHE D 103
VAL D  93
 None
 1.39A 2w8yA-4ffwD:
undetectable		 2w8yA-4ffwD:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4s PROTEASOME ASSEMBLY
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09754
(PAC2) 		5 LEU P  33
LEU P  80
GLY P  79
MET P   1
PHE P 106
 None
 1.25A 2w8yA-4g4sP:
undetectable		 2w8yA-4g4sP:
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.
4hzp BIFUNCTIONAL
METHYLMALONYL-COA:AC
P
ACYLTRANSFERASE/DECA
RBOXYLASE

(Streptomyces
atroolivaceus) 		no annotation 5 LEU A  34
GLY A  35
PHE A 124
CYH A  93
VAL A  50
 None
 1.38A 2w8yA-4hzpA:
undetectable		 2w8yA-4hzpA:
20.96
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.
4lu6 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE REBH

(Lechevalieria
aerocolonigenes) 		PF04820
(Trp_halogenase) 		5 LEU A 180
GLY A  25
GLN A  29
PHE A 179
VAL A 372
 None
 1.30A 2w8yA-4lu6A:
undetectable		 2w8yA-4lu6A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		5 LEU A 457
GLY A 448
GLN A 449
PHE A 203
VAL A 390
 None
 1.36A 2w8yA-4n0iA:
undetectable		 2w8yA-4n0iA:
21.29
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 LEU A 280
LEU A 286
TRP A 320
MET A 321
ARG A 331
 None
 0.65A 2w8yA-4n1yA:
27.8		 2w8yA-4n1yA:
29.59
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.
4o8s PUTATIVE

(Helicobacter
pylori) 		PF08843
(AbiEii) 		5 GLY A  39
ARG A 154
PHE A 174
LEU A 178
VAL A  36
 None
 1.16A 2w8yA-4o8sA:
undetectable		 2w8yA-4o8sA:
23.16
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.
4ok0 PUTATIVE

(Helicobacter
pylori) 		PF08843
(AbiEii) 		5 GLY A  39
ARG A 154
PHE A 174
LEU A 178
VAL A  36
 None
 1.16A 2w8yA-4ok0A:
undetectable		 2w8yA-4ok0A:
23.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLY A 568
GLN A 570
TRP A 600
MET A 601
CYH A 736
 None
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-3.7A)
 1.12A 2w8yA-4p6wA:
36.2		 2w8yA-4p6wA:
53.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 566
GLY A 567
GLN A 570
TRP A 600
MET A 601
ARG A 611
CYH A 736
 MOF  A 801 ( 4.6A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-3.7A)
 0.48A 2w8yA-4p6wA:
36.2		 2w8yA-4p6wA:
53.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 566
GLY A 567
GLN A 570
TRP A 600
MET A 601
MET A 604
ARG A 611
 MOF  A 801 ( 4.6A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
None
MOF  A 801 (-4.2A)
 0.78A 2w8yA-4p6wA:
36.2		 2w8yA-4p6wA:
53.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 LEU A 483
LEU A 548
GLY A 488
PHE A 455
LEU A 450
 None
 1.41A 2w8yA-4qmeA:
undetectable		 2w8yA-4qmeA:
15.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 766
LEU A 772
GLN A 776
TRP A 806
MET A 807
ARG A 817
CYH A 942
 CV7  A1987 (-3.6A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 (-4.0A)
 0.50A 2w8yA-4udbA:
35.2		 2w8yA-4udbA:
52.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 766
TRP A 806
MET A 807
ARG A 817
LEU A 848
CYH A 942
 CV7  A1987 (-3.6A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 4.4A)
CV7  A1987 (-4.0A)
 0.79A 2w8yA-4udbA:
35.2		 2w8yA-4udbA:
52.57
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		5 LEU A  41
LEU A   9
GLY A  10
MET A 202
LEU A 161
 None
 1.16A 2w8yA-4uw2A:
undetectable		 2w8yA-4uw2A:
16.39
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		5 LEU A 389
LEU A  62
GLY A  61
LEU A 424
VAL A  26
 None
 1.43A 2w8yA-4wgxA:
undetectable		 2w8yA-4wgxA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wop ATP-DEPENDENT
DETHIOBIOTIN
SYNTHETASE BIOD

(Mycobacterium
tuberculosis) 		PF13500
(AAA_26) 		5 LEU A 143
LEU A 177
GLY A 176
TRP A 171
LEU A 146
 SO4  A 302 (-4.6A)
None
None
None
SO4  A 302 (-3.5A)
 1.22A 2w8yA-4wopA:
undetectable		 2w8yA-4wopA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zg8 ENDOGLUCANASE

(Perinereis
brevicirris) 		PF00759
(Glyco_hydro_9) 		5 GLY A  58
MET A  72
LEU A 164
CYH A 111
VAL A 122
 None
 1.29A 2w8yA-4zg8A:
undetectable		 2w8yA-4zg8A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1

(Pseudomonas
stutzeri) 		PF00115
(COX1) 		5 LEU A  73
GLY A  25
MET A  29
PHE A 213
LEU A 214
 None
None
HEM  A 502 (-4.0A)
None
HEM  A 501 ( 4.2A)
 1.36A 2w8yA-5djqA:
undetectable		 2w8yA-5djqA:
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.
5e05 NUCLEOCAPSID PROTEIN

(Sin Nombre
orthohantavirus) 		PF00846
(Hanta_nucleocap) 		5 LEU A 177
LEU A 127
GLY A 123
TRP A 119
LEU A 138
 None
 1.37A 2w8yA-5e05A:
undetectable		 2w8yA-5e05A:
20.00
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.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		5 LEU A 117
GLY A 163
PHE A  43
LEU A  46
VAL A 347
 MPG  A 611 (-4.3A)
None
MPG  A 610 (-4.3A)
None
None
 1.43A 2w8yA-5f15A:
undetectable		 2w8yA-5f15A:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fus PUTATIVE ENOYL COA
HYDRATASE

(Burkholderia
cenocepacia) 		PF00378
(ECH_1) 		5 LEU A  85
GLY A 136
MET A 167
PHE A 161
LEU A 163
 None
None
DAO  A1285 (-4.2A)
None
None
 1.38A 2w8yA-5fusA:
undetectable		 2w8yA-5fusA:
21.68
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.
5gne LEUCINE
AMINOPEPTIDASE

(Legionella
pneumophila) 		PF04389
(Peptidase_M28) 		5 LEU A 235
LEU A 287
GLY A 211
LEU A 143
VAL A 270
 None
 1.35A 2w8yA-5gneA:
undetectable		 2w8yA-5gneA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ipy FLAVIN-CONTAINING
MONOOXYGENASE

(Roseovarius
nubinhibens) 		PF00743
(FMO-like) 		5 LEU A 313
GLY A  14
GLN A  17
PHE A 278
LEU A 281
 None
 1.32A 2w8yA-5ipyA:
undetectable		 2w8yA-5ipyA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kp7 CURD

(Moorea
producens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 LEU A 121
LEU A 176
ARG A  65
PHE A 303
LEU A 306
 None
 1.36A 2w8yA-5kp7A:
undetectable		 2w8yA-5kp7A:
20.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 7 LEU A 766
GLN A 776
TRP A 806
MET A 807
ARG A 817
LEU A 848
CYH A 942
 ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
None
ECV  A1101 (-4.0A)
 0.95A 2w8yA-5mwpA:
36.4		 2w8yA-5mwpA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 7 LEU A 766
LEU A 772
GLN A 776
TRP A 806
MET A 807
ARG A 817
CYH A 942
 ECV  A1101 ( 3.9A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
 0.61A 2w8yA-5mwpA:
36.4		 2w8yA-5mwpA:
40.00
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 5 LEU A 162
LEU A 184
GLY A 148
LEU A 198
VAL A 132
 None
None
None
None
SAH  A1001 (-3.6A)
 1.37A 2w8yA-5njuA:
undetectable		 2w8yA-5njuA:
16.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 7 LEU A 562
GLY A 563
GLN A 566
TRP A 596
MET A 597
MET A 600
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.75A 2w8yA-5uc1A:
25.1		 2w8yA-5uc1A:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 GLY A  37
GLN A  39
TRP A  69
MET A  70
CYH A 205
 None
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.6A)
 1.04A 2w8yA-5ufsA:
37.1		 2w8yA-5ufsA:
57.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		7 LEU A  35
GLY A  36
GLN A  39
TRP A  69
MET A  70
ARG A  80
CYH A 205
 1TA  A 301 ( 3.6A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 (-3.6A)
 0.42A 2w8yA-5ufsA:
37.1		 2w8yA-5ufsA:
57.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		7 LEU A  35
GLY A  36
GLN A  39
TRP A  69
MET A  70
MET A  73
ARG A  80
 1TA  A 301 ( 3.6A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 (-3.5A)
 0.79A 2w8yA-5ufsA:
37.1		 2w8yA-5ufsA:
57.14
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		5 LEU f 445
LEU f 487
GLY f 486
CYH f 459
VAL f 497
 None
 1.42A 2w8yA-5vhif:
undetectable		 2w8yA-5vhif:
15.08
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.
5vta FAB HEAVY CHAIN

(Mus musculus) 		no annotation 5 LEU H   4
GLY H 107
MET H  37
PHE H 102
VAL H  93
 None
 1.44A 2w8yA-5vtaH:
undetectable		 2w8yA-5vtaH:
16.67
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.
5x5y UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF03739
(YjgP_YjgQ) 		5 LEU F 291
LEU F  74
GLY F  71
LEU F 310
VAL F 109
 None
 1.29A 2w8yA-5x5yF:
undetectable		 2w8yA-5x5yF:
21.95
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 5 LEU A 679
LEU A 675
GLY A 649
TRP A 614
LEU A 684
 None
 1.21A 2w8yA-5y3jA:
undetectable		 2w8yA-5y3jA:
14.06
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.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 LEU A 291
GLY A 138
PHE A 237
LEU A 240
VAL A 146
 EDO  A 505 ( 4.3A)
None
None
None
None
 1.37A 2w8yA-6ay4A:
undetectable		 2w8yA-6ay4A:
19.83
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.
6c87 RAB GDP DISSOCIATION
INHIBITOR ALPHA

(Naegleria
fowleri) 		no annotation 5 LEU A 236
LEU A 243
GLY A  21
LEU A  87
VAL A 284
 None
 1.44A 2w8yA-6c87A:
undetectable		 2w8yA-6c87A:
16.67
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.
6ch2 FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2,FLAGELLAR
PROTEIN FLIT

(Salmonella
enterica) 		no annotation 5 LEU D  78
LEU D 138
GLY D 137
GLN D 141
LEU D  91
 None
 1.39A 2w8yA-6ch2D:
undetectable		 2w8yA-6ch2D:
15.71