SIMILAR PATTERNS OF AMINO ACIDS FOR 2W8Y_B_NDRB1000_0

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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 129
LEU A 126
GLN A 326
ARG A  94
LEU A  47
 None
 1.45A 2w8yB-1bqgA:
undetectable		 2w8yB-1bqgA:
19.74
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.
1bxn PROTEIN (RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN)

(Cupriavidus
necator) 		PF00101
(RuBisCO_small) 		5 LEU I  27
LEU I  23
LEU I  65
ARG I  72
MET I  96
 None
 1.33A 2w8yB-1bxnI:
undetectable		 2w8yB-1bxnI:
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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 LEU A 215
LEU A 247
MET A  90
ARG A   4
LEU A 283
 None
 1.44A 2w8yB-1cttA:
undetectable		 2w8yB-1cttA:
21.59
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 LEU A 101
LEU A 102
GLN A 459
ARG A 455
LEU A  42
 None
 1.35A 2w8yB-1e4oA:
undetectable		 2w8yB-1e4oA:
15.91
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 LEU A1123
LEU A1274
LEU A1150
MET A1154
TYR A1146
 None
GOL  A2574 (-4.2A)
None
None
None
 1.31A 2w8yB-1e6yA:
undetectable		 2w8yB-1e6yA:
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.
1ei5 D-AMINOPEPTIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase)
PF07930
(DAP_B) 		5 LEU A 490
LEU A 474
GLN A 477
LEU A 119
CYH A 507
 None
 1.39A 2w8yB-1ei5A:
undetectable		 2w8yB-1ei5A:
19.68
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.
1ex6 GUANYLATE KINASE

(Saccharomyces
cerevisiae) 		PF00625
(Guanylate_kin) 		5 LEU A  21
LEU A  17
LEU A 171
ARG A 131
LEU A 118
 None
 1.47A 2w8yB-1ex6A:
undetectable		 2w8yB-1ex6A:
21.27
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		5 LEU A  78
LEU A  75
LEU A 156
ARG A 180
LEU A 403
 None
None
None
CIR  A 500 (-4.0A)
None
 1.44A 2w8yB-1lxyA:
undetectable		 2w8yB-1lxyA:
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 LEU A 242
LEU A 161
GLN A 172
LEU A 361
MET A 365
 HEM  A1430 ( 4.5A)
None
None
HEM  A1430 ( 4.9A)
None
 1.33A 2w8yB-1uedA:
3.1		 2w8yB-1uedA:
21.48
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.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
LEU A 327
MET A 362
ARG A 372
LEU A 401
 None
 0.62A 2w8yB-1xb7A:
25.5		 2w8yB-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.
1zsw GLYOXALASE FAMILY
PROTEIN

(Bacillus cereus) 		PF00903
(Glyoxalase) 		5 LEU A 127
LEU A  83
LEU A  84
GLN A 155
TYR A  24
 None
 1.32A 2w8yB-1zswA:
undetectable		 2w8yB-1zswA:
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 LEU A 475
LEU A 310
GLN A  14
ARG A   8
LEU A 337
 None
 1.50A 2w8yB-2aeyA:
undetectable		 2w8yB-2aeyA:
19.02
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) 		8 LEU A 701
LEU A 704
ASN A 705
LEU A 707
GLN A 711
MET A 742
MET A 745
ARG A 752
 None
BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.2A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.9A)
BHM  A   1 (-3.8A)
 0.55A 2w8yB-2ax9A:
34.7		 2w8yB-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) 		5 LEU A 701
LEU A 704
ASN A 705
LEU A 707
LEU A 873
 None
BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.2A)
BHM  A   1 (-4.4A)
 1.49A 2w8yB-2ax9A:
34.7		 2w8yB-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) 		8 LEU A 701
LEU A 704
LEU A 707
GLN A 711
MET A 742
MET A 745
ARG A 752
MET A 787
 None
BHM  A   1 (-4.0A)
BHM  A   1 ( 4.2A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.9A)
BHM  A   1 (-3.8A)
BHM  A   1 (-3.6A)
 0.80A 2w8yB-2ax9A:
34.7		 2w8yB-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.
2bbu SUPPRESSOR OF
CYTOKINE SIGNALING 3

(Mus musculus) 		PF00017
(SH2) 		5 LEU A  40
LEU A  53
ASN A  28
LEU A  64
LEU A  12
 None
 1.50A 2w8yB-2bbuA:
undetectable		 2w8yB-2bbuA:
22.96
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.
2bnh RIBONUCLEASE
INHIBITOR

(Sus scrofa) 		PF13516
(LRR_6) 		5 LEU A 320
LEU A 343
ASN A 346
LEU A 372
LEU A 313
 None
 1.41A 2w8yB-2bnhA:
undetectable		 2w8yB-2bnhA:
21.67
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 LEU A 267
LEU A 260
GLN A 179
MET A 193
MET A 190
 None
 1.42A 2w8yB-2fafA:
undetectable		 2w8yB-2fafA:
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.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 265
LEU A 268
LEU A 271
MET A 306
ARG A 316
LEU A 345
 None
OHT  A 500 (-4.1A)
OHT  A 500 ( 4.4A)
OHT  A 500 (-3.9A)
OHT  A 500 (-3.8A)
OHT  A 500 (-4.3A)
 0.48A 2w8yB-2gpvA:
25.8		 2w8yB-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.
2h2m COMM
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF17221
(COMMD1_N) 		5 LEU A  16
ASN A  17
LEU A  19
ARG A  49
LEU A  72
 None
 1.23A 2w8yB-2h2mA:
undetectable		 2w8yB-2h2mA:
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.
2pvc DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3-LIKE

(Homo sapiens) 		no annotation 5 LEU B 206
LEU B 203
MET B 283
LEU B 371
CYH B 367
 None
 1.38A 2w8yB-2pvcB:
undetectable		 2w8yB-2pvcB:
22.56
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) 		5 LEU A  29
ASN A  33
MET A  70
LEU A 111
CYH A 205
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
1CA  A 247 ( 3.8A)
None
1CA  A 247 (-4.0A)
 0.87A 2w8yB-2q3yA:
37.7		 2w8yB-2q3yA:
62.93
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) 		10 LEU A  29
LEU A  32
ASN A  33
LEU A  35
GLN A  39
MET A  70
MET A  73
ARG A  80
MET A 115
CYH A 205
 1CA  A 247 ( 3.6A)
1CA  A 247 (-4.0A)
1CA  A 247 (-2.9A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 3.7A)
1CA  A 247 (-4.0A)
 0.42A 2w8yB-2q3yA:
37.7		 2w8yB-2q3yA:
62.93
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) 		5 LEU A  35
LEU A  32
LEU A  29
LEU A  77
MET A 115
 1CA  A 247 ( 4.4A)
1CA  A 247 (-4.0A)
1CA  A 247 ( 3.6A)
1CA  A 247 ( 3.9A)
1CA  A 247 ( 3.7A)
 1.19A 2w8yB-2q3yA:
37.7		 2w8yB-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.
2qjx PROTEIN BIM1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A  13
LEU A  16
ASN A  17
LEU A  20
GLN A  38
 None
 1.41A 2w8yB-2qjxA:
undetectable		 2w8yB-2qjxA:
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.
2rae TRANSCRIPTIONAL
REGULATOR, ACRR
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 LEU A 163
LEU A 164
LEU A  80
MET A  76
TYR A 142
 None
 1.24A 2w8yB-2raeA:
undetectable		 2w8yB-2raeA:
19.37
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.
2wlc POLYSIALIC ACID
O-ACETYLTRANSFERASE

(Neisseria
meningitidis) 		PF00132
(Hexapep) 		5 LEU A  74
LEU A  80
GLN A  83
LEU A  70
MET A  88
 None
None
EDO  A1218 (-3.7A)
None
None
 1.50A 2w8yB-2wlcA:
undetectable		 2w8yB-2wlcA:
21.48
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.
2z36 CYTOCHROME P450 TYPE
COMPACTIN
3'',4''-HYDROXYLASE

(Nonomuraea
recticatena) 		PF00067
(p450) 		5 LEU A 241
LEU A 238
LEU A 235
GLN A 224
LEU A 357
 HEM  A 450 ( 4.9A)
None
None
None
HEM  A 450 ( 4.0A)
 1.48A 2w8yB-2z36A:
2.7		 2w8yB-2z36A:
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.
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 401
LEU A 421
LEU A 419
MET A 414
LEU A 427
 None
 1.49A 2w8yB-2z63A:
undetectable		 2w8yB-2z63A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z66 VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 4

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU A 401
LEU A 421
LEU A 419
MET A 414
LEU A 427
 None
 1.47A 2w8yB-2z66A:
undetectable		 2w8yB-2z66A:
26.22
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.
3d7a UPF0201 PROTEIN
PH1010

(Pyrococcus
horikoshii) 		PF01877
(RNA_binding) 		5 LEU A  57
LEU A  60
LEU A  63
GLN A  67
LEU A  77
 None
 1.16A 2w8yB-3d7aA:
undetectable		 2w8yB-3d7aA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dff TEICOPLANIN
PSEUDOAGLYCONE
DEACETYLASES ORF2

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		5 LEU A  10
LEU A  28
LEU A  86
GLN A 221
MET A 218
 None
 1.41A 2w8yB-3dffA:
undetectable		 2w8yB-3dffA:
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.
3e7n D-RIBOSE
HIGH-AFFINITY
TRANSPORT SYSTEM

(Salmonella
enterica) 		PF05025
(RbsD_FucU) 		5 LEU A  85
LEU A  88
LEU A  91
GLN A  95
LEU A  69
 None
 1.46A 2w8yB-3e7nA:
undetectable		 2w8yB-3e7nA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eap RHO
GTPASE-ACTIVATING
PROTEIN 11A

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A  15
LEU A  12
LEU A   9
LEU A 137
CYH A 161
 None
 1.18A 2w8yB-3eapA:
undetectable		 2w8yB-3eapA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fds DNA POLYMERASE
SLIDING CLAMP C

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 LEU D  73
LEU D  16
ASN D  77
MET D 208
LEU D  48
 None
 1.48A 2w8yB-3fdsD:
undetectable		 2w8yB-3fdsD:
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.
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		5 LEU A 223
LEU A 227
ASN A 224
MET A 203
TYR A 210
 None
 1.31A 2w8yB-3ilkA:
undetectable		 2w8yB-3ilkA:
23.47
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.
3iz3 STRUCTURAL PROTEIN
VP1
VIRAL STRUCTURAL
PROTEIN 5

(Cypovirus 1;
Cypovirus 1) 		no annotation
no annotation 		5 LEU D 205
LEU D 202
LEU D 199
ARG B1272
MET D 227
 None
 1.28A 2w8yB-3iz3D:
undetectable		 2w8yB-3iz3D:
20.33
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 718
ASN A 719
LEU A 721
GLN A 725
MET A 756
MET A 759
ARG A 766
MET A 801
CYH A 891
 WOW  A   1 (-3.9A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
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 (-4.2A)
WOW  A   1 (-3.5A)
 0.55A 2w8yB-3kbaA:
41.5		 2w8yB-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) 		10 LEU A 715
LEU A 718
ASN A 719
LEU A 721
MET A 756
MET A 759
ARG A 766
MET A 801
TYR A 890
CYH A 891
 WOW  A   1 (-3.9A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.9A)
WOW  A   1 (-3.5A)
 0.39A 2w8yB-3kbaA:
41.5		 2w8yB-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
LEU A 718
ASN A 719
MET A 759
MET A 801
 WOW  A   1 (-3.9A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.2A)
 1.46A 2w8yB-3kbaA:
41.5		 2w8yB-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 721
LEU A 718
LEU A 715
LEU A 763
MET A 801
 WOW  A   1 ( 4.3A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.9A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-4.2A)
 1.15A 2w8yB-3kbaA:
41.5		 2w8yB-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.
3kn5 RIBOSOMAL PROTEIN S6
KINASE ALPHA-5

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 676
LEU A 667
LEU A 668
LEU A 687
MET A 525
 None
 1.28A 2w8yB-3kn5A:
undetectable		 2w8yB-3kn5A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rx8 CELLULASE

(Alicyclobacillus
acidocaldarius) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 LEU A 381
LEU A 378
LEU A 375
LEU A 348
MET A 352
 None
 1.47A 2w8yB-3rx8A:
undetectable		 2w8yB-3rx8A:
18.22
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) 		10 LEU A  29
LEU A  32
ASN A  33
LEU A  35
GLN A  39
MET A  70
MET A  73
ARG A  80
MET A 115
CYH A 205
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.4A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 (-4.0A)
 0.50A 2w8yB-3ry9A:
36.7		 2w8yB-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  29
MET A  70
ARG A  80
LEU A 111
CYH A 205
 1CA  A 249 ( 3.8A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
None
1CA  A 249 (-4.0A)
 0.95A 2w8yB-3ry9A:
36.7		 2w8yB-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  35
LEU A  32
LEU A  29
LEU A  77
MET A 115
 1CA  A 249 ( 4.4A)
1CA  A 249 (-3.9A)
1CA  A 249 ( 3.8A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.6A)
 1.24A 2w8yB-3ry9A:
36.7		 2w8yB-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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 LEU A 701
LEU A 668
LEU A 674
GLN A  79
LEU A 769
 None
 1.46A 2w8yB-3va6A:
undetectable		 2w8yB-3va6A:
15.03
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.
3wgo MESO-DIAMINOPIMELATE
DEHYDROGENASE

(Clostridium
tetani) 		PF16654
(DAPDH_C) 		5 LEU A 127
LEU A 130
ASN A 131
LEU A 133
LEU A 313
 None
 0.97A 2w8yB-3wgoA:
undetectable		 2w8yB-3wgoA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxf UNCHARACTERIZED
PROTEIN

(Danio rerio) 		PF00443
(UCH) 		5 LEU A 697
LEU A 695
LEU A 694
MET A 789
LEU A 729
 None
 1.19A 2w8yB-3wxfA:
undetectable		 2w8yB-3wxfA:
23.33
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.
4am9 CHAPERONE SYCD

(Yersinia
enterocolitica) 		PF07720
(TPR_3) 		5 LEU A  36
LEU A  39
LEU A  42
GLN A  46
CYH A  63
 None
 0.71A 2w8yB-4am9A:
undetectable		 2w8yB-4am9A:
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.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 166
ASN A 113
LEU A 167
LEU A 144
MET A 255
 None
 1.23A 2w8yB-4b99A:
undetectable		 2w8yB-4b99A:
19.65
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.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 LEU A 300
LEU A 303
LEU A 306
MET A 539
LEU A 318
 None
 1.49A 2w8yB-4byfA:
undetectable		 2w8yB-4byfA:
17.03
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.
4fdh CYTOCHROME P450
11B2, MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 324
LEU A 327
LEU A 330
GLN A 337
ARG A 341
 None
 1.13A 2w8yB-4fdhA:
undetectable		 2w8yB-4fdhA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 LEU A 205
LEU A 208
ASN A 209
LEU A 211
LEU A 225
 None
 1.03A 2w8yB-4injA:
undetectable		 2w8yB-4injA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ip3 ORF169B

(Shigella
flexneri) 		no annotation 5 LEU A  28
LEU A  31
ASN A  32
LEU A  36
LEU A 159
 None
 1.45A 2w8yB-4ip3A:
undetectable		 2w8yB-4ip3A:
24.10
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.
4j25 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
putida) 		PF13640
(2OG-FeII_Oxy_3) 		5 LEU A 140
LEU A 142
LEU A 193
LEU A  33
CYH A  83
 None
 1.38A 2w8yB-4j25A:
undetectable		 2w8yB-4j25A:
19.93
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.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 445
LEU A 480
LEU A 504
LEU A 475
MET A 496
 None
 1.47A 2w8yB-4lxrA:
undetectable		 2w8yB-4lxrA:
15.31
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.
4m7e PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 714
LEU A 738
ASN A 736
LEU A 762
MET A 722
 None
 1.40A 2w8yB-4m7eA:
undetectable		 2w8yB-4m7eA:
17.21
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 LEU A 280
LEU A 283
LEU A 286
MET A 321
ARG A 331
 None
 0.47A 2w8yB-4n1yA:
27.8		 2w8yB-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.
4nxk ABP, A GH27
BETA-L-ARABINOPYRANO
SIDASE

(Geobacillus
stearothermophilus) 		PF16499
(Melibiase_2) 		5 LEU A 342
LEU A 345
MET A  27
LEU A 334
TYR A  50
 None
 1.09A 2w8yB-4nxkA:
undetectable		 2w8yB-4nxkA:
18.49
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.
4ol0 TRANSPORTIN-3

(Homo sapiens) 		PF08389
(Xpo1) 		5 LEU B   8
LEU B  50
LEU B  51
MET B  67
LEU B  37
 None
 1.39A 2w8yB-4ol0B:
undetectable		 2w8yB-4ol0B:
14.96
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.
4our PHYTOCHROME B

(Arabidopsis
thaliana) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 LEU B 205
LEU B 187
ASN B 188
LEU B 186
LEU B 174
 None
 1.30A 2w8yB-4ourB:
undetectable		 2w8yB-4ourB:
18.33
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 ASN A 564
GLN A 570
MET A 601
ARG A 611
MET A 646
TYR A 735
CYH A 736
 MOF  A 801 (-3.0A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 (-4.8A)
MOF  A 801 (-3.7A)
 0.66A 2w8yB-4p6wA:
36.2		 2w8yB-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) 		8 LEU A 563
ASN A 564
LEU A 566
GLN A 570
MET A 601
ARG A 611
MET A 646
CYH A 736
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 (-3.7A)
 0.64A 2w8yB-4p6wA:
36.2		 2w8yB-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) 		8 LEU A 563
ASN A 564
LEU A 566
GLN A 570
MET A 601
MET A 604
ARG A 611
MET A 646
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
None
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
 0.86A 2w8yB-4p6wA:
36.2		 2w8yB-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) 		5 LEU A 566
LEU A 563
MET A 639
LEU A 608
MET A 646
 MOF  A 801 ( 4.6A)
MOF  A 801 (-3.9A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.4A)
 1.29A 2w8yB-4p6wA:
36.2		 2w8yB-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.
4qdh VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 9
CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 113
LEU A 132
ASN A 135
LEU A 162
LEU A 106
 None
 1.44A 2w8yB-4qdhA:
undetectable		 2w8yB-4qdhA:
22.84
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.
4red 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 113
LEU A 209
LEU A 206
LEU A 149
TYR A 106
 None
 1.49A 2w8yB-4redA:
undetectable		 2w8yB-4redA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4roe TRANSCRIPTION FACTOR
IIIB 50 KDA SUBUNIT

(Homo sapiens) 		no annotation 5 LEU A 159
LEU A 160
LEU A 162
GLN A 128
LEU A 117
 None
 1.44A 2w8yB-4roeA:
undetectable		 2w8yB-4roeA:
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.
4s12 N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Yersinia
enterocolitica) 		PF01380
(SIS) 		5 LEU A 127
LEU A 129
LEU A 157
GLN A 156
LEU A  68
 None
 1.50A 2w8yB-4s12A:
undetectable		 2w8yB-4s12A:
23.51
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.
4u1a ENOYL-COA DELTA
ISOMERASE 2

(Homo sapiens) 		PF00378
(ECH_1) 		5 LEU A 188
LEU A 189
ASN A 185
LEU A 336
GLN A 242
 CL  A 401 ( 4.9A)
CL  A 401 ( 4.4A)
CL  A 401 ( 4.2A)
None
None
 1.34A 2w8yB-4u1aA:
undetectable		 2w8yB-4u1aA:
19.46
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) 		5 LEU A 766
ASN A 770
MET A 807
LEU A 848
CYH A 942
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.4A)
CV7  A1987 (-4.0A)
 0.83A 2w8yB-4udbA:
35.7		 2w8yB-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) 		9 LEU A 766
LEU A 769
ASN A 770
LEU A 772
GLN A 776
MET A 807
ARG A 817
MET A 852
CYH A 942
 CV7  A1987 (-3.6A)
CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 (-4.0A)
 0.52A 2w8yB-4udbA:
35.7		 2w8yB-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) 		5 LEU A 772
LEU A 769
LEU A 766
LEU A 814
MET A 852
 CV7  A1987 ( 4.5A)
CV7  A1987 (-4.1A)
CV7  A1987 (-3.6A)
CV7  A1987 ( 4.0A)
CV7  A1987 ( 3.7A)
 1.27A 2w8yB-4udbA:
35.7		 2w8yB-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.
4y6o NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 LEU A 335
LEU A 329
GLN A 326
LEU A 258
MET A 260
 None
 1.29A 2w8yB-4y6oA:
undetectable		 2w8yB-4y6oA:
25.32
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.
4yeb FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 3

(Mus musculus) 		PF13855
(LRR_8) 		5 LEU B 211
LEU B 232
ASN B 235
GLN B 255
LEU B 204
 None
 1.43A 2w8yB-4yebB:
undetectable		 2w8yB-4yebB:
23.56
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A 493
LEU A 510
LEU A 453
MET A 437
CYH A 486
 None
 1.30A 2w8yB-4yswA:
undetectable		 2w8yB-4yswA:
12.03
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 LEU A 526
LEU A 520
GLN A 490
LEU A 426
MET A 462
 None
 1.48A 2w8yB-5dotA:
undetectable		 2w8yB-5dotA:
10.63
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.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 179
LEU A 155
ASN A 182
LEU A 139
LEU A 168
 None
 1.47A 2w8yB-5gmhA:
undetectable		 2w8yB-5gmhA:
16.81
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.
5gwp ABA RECEPTOR RCAR3

(Oryza sativa) 		PF10604
(Polyketide_cyc2) 		5 LEU C 179
LEU C 178
ASN C 182
LEU C 132
TYR C 135
 None
A8S  C 301 (-4.2A)
A8S  C 301 (-3.7A)
None
A8S  C 301 ( 4.8A)
 1.40A 2w8yB-5gwpC:
undetectable		 2w8yB-5gwpC:
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.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		5 LEU A 127
LEU A 130
ASN A 131
LEU A 133
LEU A 313
 None
 1.06A 2w8yB-5gz1A:
undetectable		 2w8yB-5gz1A:
22.57
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU A 253
LEU A 294
LEU A 318
LEU A 289
MET A 310
 None
 1.48A 2w8yB-5hdhA:
undetectable		 2w8yB-5hdhA:
16.08
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU A 542
LEU A 561
ASN A 564
LEU A 591
LEU A 535
 None
 1.41A 2w8yB-5hdhA:
undetectable		 2w8yB-5hdhA:
16.08
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.
5m30 TYPE VI SECRETION
PROTEIN

(Escherichia
coli) 		PF05936
(T6SS_VasE) 		5 LEU A 303
LEU A 306
ASN A 307
LEU A 309
LEU A 250
 None
 1.02A 2w8yB-5m30A:
undetectable		 2w8yB-5m30A:
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.
5mwn TYPE VI SECRETION
PROTEIN

(Escherichia
coli) 		PF05936
(T6SS_VasE) 		5 LEU A 303
LEU A 306
ASN A 307
LEU A 309
LEU A 250
 None
 1.01A 2w8yB-5mwnA:
undetectable		 2w8yB-5mwnA:
22.71
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 8 LEU A 766
LEU A 769
ASN A 770
LEU A 772
GLN A 776
MET A 807
ARG A 817
CYH A 942
 ECV  A1101 ( 3.9A)
ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
 0.49A 2w8yB-5mwpA:
36.4		 2w8yB-5mwpA:
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 772
GLN A 776
MET A 807
ARG A 817
MET A 852
 ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
 1.12A 2w8yB-5mwpA:
36.4		 2w8yB-5mwpA:
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 LEU A 256
LEU A 259
ASN A 260
LEU A 262
ARG A  26
 None
 1.21A 2w8yB-5o0jA:
undetectable		 2w8yB-5o0jA:
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.
5szn PROTOCADHERIN GAMMA
A9

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 LEU A 262
LEU A 263
LEU A 279
MET A 273
MET A 289
 None
 1.31A 2w8yB-5sznA:
undetectable		 2w8yB-5sznA:
19.52
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.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 8 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
MET A 600
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.77A 2w8yB-5uc1A:
25.1		 2w8yB-5uc1A:
undetectable
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) 		8 LEU A  32
ASN A  33
LEU A  35
GLN A  39
MET A  70
ARG A  80
MET A 115
CYH A 205
 1TA  A 301 (-3.5A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
1TA  A 301 (-3.6A)
 0.53A 2w8yB-5ufsA:
37.6		 2w8yB-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) 		8 LEU A  32
ASN A  33
LEU A  35
GLN A  39
MET A  70
MET A  73
ARG A  80
MET A 115
 1TA  A 301 (-3.5A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
 0.79A 2w8yB-5ufsA:
37.6		 2w8yB-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.
5v8c TRANSCRIPTIONAL
REGULATOR

(Actinomyces
oris) 		no annotation 5 LEU A 134
LEU A 101
LEU A 189
MET A  88
TYR A 360
 None
 1.44A 2w8yB-5v8cA:
undetectable		 2w8yB-5v8cA:
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.
5w7z DNA POLYMERASE III
SUBUNIT BETA

(Rickettsia
conorii) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 LEU A 289
LEU A 294
MET A 266
ARG A 273
LEU A 351
 None
 1.26A 2w8yB-5w7zA:
undetectable		 2w8yB-5w7zA:
21.52
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 LEU A  70
LEU A  94
LEU A 130
LEU A  89
MET A 122
 None
 1.48A 2w8yB-5zlnA:
undetectable		 2w8yB-5zlnA:
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.
6cjb CYSTATHIONINE
BETA-LYASE

(Legionella
pneumophila) 		no annotation 5 LEU A 290
LEU A 154
LEU A 152
MET A  97
LEU A 157
 None
 1.50A 2w8yB-6cjbA:
undetectable		 2w8yB-6cjbA:
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.
6el8 FORKHEAD BOX PROTEIN
N1

(Homo sapiens) 		no annotation 5 LEU A 322
ASN A 321
LEU A 278
MET A 354
CYH A 327
 None
 1.26A 2w8yB-6el8A:
undetectable		 2w8yB-6el8A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fkx ACETYL XYLAN
ESTERASE

(metagenome) 		no annotation 5 LEU C  13
LEU C  12
LEU C   7
LEU C 298
TYR C 296
 None
 1.50A 2w8yB-6fkxC:
undetectable		 2w8yB-6fkxC:
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.
6fsh OXYB PROTEIN

(Actinoplanes
teichomyceticus) 		no annotation 5 LEU A 252
LEU A 253
LEU A 373
GLN A 378
LEU A 364
 None
 1.34A 2w8yB-6fshA:
undetectable		 2w8yB-6fshA:
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 5 LEU A 551
LEU A 501
ASN A 504
LEU A 502
LEU A 454
 None
 1.43A 2w8yB-6gh2A:
undetectable		 2w8yB-6gh2A:
undetectable