SIMILAR PATTERNS OF AMINO ACIDS FOR 2OAX_F_SNLF6001_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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ALA A 356
GLN A 357
LEU A 531
CYH A 427
PHE A 323
 None
 1.21A 2oaxF-1fuiA:
undetectable		 2oaxF-1fuiA:
17.62
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.
1i2l 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Escherichia
coli) 		PF01063
(Aminotran_4) 		5 LEU A 238
ALA A 237
LEU A  79
LEU A  39
PHE A 204
 DCS  A 301 ( 4.6A)
DCS  A 301 (-3.5A)
None
None
None
 1.35A 2oaxF-1i2lA:
undetectable		 2oaxF-1i2lA:
21.53
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.
1i41 CYSTATHIONINE
GAMMA-SYNTHASE

(Nicotiana
tabacum) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 194
ALA A 195
GLN A 198
THR A 206
PHE A 204
 None
 1.11A 2oaxF-1i41A:
undetectable		 2oaxF-1i41A:
19.29
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.
1imv PIGMENT
EPITHELIUM-DERIVED
FACTOR

(Homo sapiens) 		PF00079
(Serpin) 		5 ASN A  32
LEU A  34
ALA A  35
LEU A 106
PHE A  26
 None
 1.31A 2oaxF-1imvA:
undetectable		 2oaxF-1imvA:
21.77
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.
1k0f PERIPLASMIC
ZINC-BINDING PROTEIN
TROA

(Treponema
pallidum) 		PF01297
(ZnuA) 		5 ALA A 201
TRP A 135
LEU A 123
LEU A  91
THR A  95
 None
 1.43A 2oaxF-1k0fA:
undetectable		 2oaxF-1k0fA:
22.15
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.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 349
ALA A 350
TRP A 383
LEU A 391
ARG A 394
 EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
 0.47A 2oaxF-1pcgA:
26.8		 2oaxF-1pcgA:
29.06
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.
1qrj HTLV-I CAPSID
PROTEIN

(Primate
T-lymphotropic
virus 1) 		PF00607
(Gag_p24) 		5 LEU A  43
ALA A  44
GLN A  47
MET A  15
PHE A 121
 None
 1.13A 2oaxF-1qrjA:
undetectable		 2oaxF-1qrjA:
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU A 441
ALA A 440
LEU A 385
LEU A 437
PHE A 732
 None
 1.26A 2oaxF-1sb3A:
undetectable		 2oaxF-1sb3A:
16.45
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.
1v3t LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE/PROSTAGLANDIN
15-KETO REDUCTASE

(Cavia porcellus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 ASN A 217
ALA A 149
LEU A 317
THR A 128
PHE A 215
 NAP  A1350 (-3.9A)
NAP  A1350 ( 4.0A)
None
NAP  A1350 (-3.1A)
None
 1.27A 2oaxF-1v3tA:
undetectable		 2oaxF-1v3tA:
19.77
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 LEU A 227
ALA A 228
GLN A 231
CYH A 245
PHE A 152
 None
 1.06A 2oaxF-1v7vA:
undetectable		 2oaxF-1v7vA:
14.34
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 ASN A 705
LEU A 707
GLN A 711
MET A 742
ARG A 752
LEU A 873
PHE A 891
 BHM  A   1 (-3.6A)
BHM  A   1 ( 4.2A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-4.4A)
None
 0.73A 2oaxF-2ax9A:
34.6		 2oaxF-2ax9A:
51.36
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 ASN A 705
TRP A 741
MET A 742
LEU A 873
PHE A 891
 BHM  A   1 (-3.6A)
None
BHM  A   1 ( 4.0A)
BHM  A   1 (-4.4A)
None
 1.22A 2oaxF-2ax9A:
34.6		 2oaxF-2ax9A:
51.36
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.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 271
ALA A 272
TRP A 305
MET A 306
ARG A 316
 OHT  A 500 ( 4.4A)
OHT  A 500 (-3.5A)
None
OHT  A 500 (-3.9A)
OHT  A 500 (-3.8A)
 0.46A 2oaxF-2gpvA:
25.6		 2oaxF-2gpvA:
27.65
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.
2ju1 ERYTHRONOLIDE
SYNTHASE

(Saccharopolyspora
erythraea) 		PF00550
(PP-binding) 		5 ALA A  66
LEU A   9
ARG A   6
LEU A  21
THR A  27
 None
 1.46A 2oaxF-2ju1A:
undetectable		 2oaxF-2ju1A:
18.36
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.
2o26 MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Mus musculus) 		no annotation 5 LEU X 134
ALA X 133
LEU X 149
LEU X 183
PHE X 126
 None
 1.46A 2oaxF-2o26X:
undetectable		 2oaxF-2o26X:
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.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 349
ALA A 350
TRP A 383
LEU A 391
ARG A 394
 EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
 0.49A 2oaxF-2ocfA:
28.2		 2oaxF-2ocfA:
28.24
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) 		12 ASN A  33
LEU A  35
ALA A  36
GLN A  39
TRP A  69
MET A  70
LEU A  77
ARG A  80
LEU A 201
CYH A 205
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 4.2A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.43A 2oaxF-2q3yA:
37.3		 2oaxF-2q3yA:
72.66
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 ASN A  33
LEU A  90
CYH A 205
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
None
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 1.12A 2oaxF-2q3yA:
37.3		 2oaxF-2q3yA:
72.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9l PUTATIVE DNA
LIGASE-LIKE PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 ASN A 231
LEU A 195
ALA A 196
LEU A 179
THR A 237
 None
PEG  A 297 ( 3.9A)
None
None
EDO  A 295 (-4.1A)
 1.20A 2oaxF-2r9lA:
undetectable		 2oaxF-2r9lA:
20.95
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.
2y05 PROSTAGLANDIN
REDUCTASE 1

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 ASN A 217
ALA A 149
LEU A 317
THR A 128
PHE A 215
 NAP  A 701 (-3.8A)
NAP  A 701 ( 3.9A)
None
NAP  A 701 (-3.1A)
None
 1.34A 2oaxF-2y05A:
undetectable		 2oaxF-2y05A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 LEU A 303
ALA A 304
GLN A 307
LEU A 355
PHE A 135
 None
 1.32A 2oaxF-2y9xA:
undetectable		 2oaxF-2y9xA:
21.87
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 ALA A1581
GLN A1559
LEU A1586
THR A1166
PHE A1180
 SAM  A   1 (-3.7A)
None
None
None
None
 1.37A 2oaxF-3av6A:
undetectable		 2oaxF-3av6A:
11.43
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.
3b8i PA4872 OXALOACETATE
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF13714
(PEP_mutase) 		5 LEU A 154
ALA A 112
LEU A 106
LEU A  47
THR A  25
 None
 1.39A 2oaxF-3b8iA:
undetectable		 2oaxF-3b8iA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bho CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 5

(Homo sapiens) 		PF13869
(NUDIX_2) 		5 LEU A  96
ALA A 195
LEU A 198
LEU A  39
PHE A 185
 None
 1.41A 2oaxF-3bhoA:
undetectable		 2oaxF-3bhoA:
19.77
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		5 ALA A 451
LEU A 315
ARG A 354
LEU A 308
PHE A 419
 None
 1.23A 2oaxF-3e1sA:
undetectable		 2oaxF-3e1sA:
16.46
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		5 ASN A 279
LEU A 448
ALA A 449
GLN A 452
THR A 318
 None
None
None
None
ZN  A 601 ( 4.3A)
 1.14A 2oaxF-3e2dA:
undetectable		 2oaxF-3e2dA:
17.91
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		5 ASN A 446
LEU A 448
ALA A 449
GLN A 452
PHE A 439
 None
 1.28A 2oaxF-3e2dA:
undetectable		 2oaxF-3e2dA:
17.91
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.
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ASN A 953
MET A 801
LEU A 794
LEU A 681
PHE A 920
 None
 1.15A 2oaxF-3eh1A:
undetectable		 2oaxF-3eh1A:
16.14
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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		5 LEU A 200
ALA A 201
LEU A  43
THR A 144
PHE A 158
 None
None
None
GOL  A 360 (-2.8A)
None
 1.46A 2oaxF-3f0hA:
undetectable		 2oaxF-3f0hA:
23.18
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.
3f7o SERINE PROTEASE

(Purpureocillium
lilacinum) 		PF00082
(Peptidase_S8) 		5 ASN A 133
ALA A 159
LEU A 252
LEU A 236
THR A  79
 None
 1.46A 2oaxF-3f7oA:
undetectable		 2oaxF-3f7oA:
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.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		5 LEU A  34
ALA A  39
LEU A 246
LEU A   8
THR A 208
 None
 1.31A 2oaxF-3hpdA:
undetectable		 2oaxF-3hpdA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 ASN W  66
LEU W  65
LEU W  34
LEU W  25
THR W 234
 None
 1.45A 2oaxF-3iylW:
undetectable		 2oaxF-3iylW:
11.64
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 ASN A 719
LEU A 721
GLN A 725
MET A 756
LEU A 763
ARG A 766
LEU A 887
CYH A 891
THR A 894
PHE A 905
 WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.62A 2oaxF-3kbaA:
35.5		 2oaxF-3kbaA:
54.69
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) 		8 ASN A 719
TRP A 755
MET A 756
LEU A 763
LEU A 887
CYH A 891
THR A 894
PHE A 905
 WOW  A   1 (-3.3A)
None
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.93A 2oaxF-3kbaA:
35.5		 2oaxF-3kbaA:
54.69
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.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 LEU A  19
ALA A  18
LEU A 260
LEU A 213
PHE A  80
 None
 1.31A 2oaxF-3ln3A:
undetectable		 2oaxF-3ln3A:
21.62
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.
3mqz UNCHARACTERIZED
CONSERVED PROTEIN
DUF1054

(Leptospirillum
rubarum) 		PF06335
(DUF1054) 		5 LEU A 105
LEU A  44
LEU A  83
THR A 200
PHE A 183
 None
None
None
GOL  A 218 (-2.6A)
GOL  A 218 (-3.3A)
 1.27A 2oaxF-3mqzA:
undetectable		 2oaxF-3mqzA:
21.76
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 ASN A 389
MET A1009
LEU A 562
ARG A 667
THR A 481
 None
 1.30A 2oaxF-3ne5A:
undetectable		 2oaxF-3ne5A:
14.71
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.
3ntk MATERNAL PROTEIN
TUDOR

(Drosophila
melanogaster) 		PF00567
(TUDOR) 		5 LEU A2398
ALA A2397
CYH A2423
THR A2436
PHE A2439
 None
 1.26A 2oaxF-3ntkA:
undetectable		 2oaxF-3ntkA:
20.77
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 ALA A1579
GLN A1557
LEU A1584
THR A1163
PHE A1177
 SAH  A1601 (-4.7A)
None
None
None
None
 1.44A 2oaxF-3ptaA:
undetectable		 2oaxF-3ptaA:
14.16
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.
3qz6 HPCH/HPAI ALDOLASE

(Desulfitobacterium
hafniense) 		PF03328
(HpcH_HpaI) 		5 LEU A 239
ALA A 238
TRP A 232
LEU A  18
LEU A  35
 None
 1.23A 2oaxF-3qz6A:
undetectable		 2oaxF-3qz6A:
21.48
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) 		11 ASN A  33
LEU A  35
GLN A  39
TRP A  69
MET A  70
LEU A  77
ARG A  80
LEU A 201
CYH A 205
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
1CA  A 249 ( 4.4A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
1CA  A 249 ( 4.2A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.40A 2oaxF-3ry9A:
35.9		 2oaxF-3ry9A:
69.84
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 ASN A  33
LEU A  90
CYH A 205
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
None
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 1.18A 2oaxF-3ry9A:
35.9		 2oaxF-3ry9A:
69.84
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.
3s5s MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sorangium
cellulosum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 MET A 306
LEU A 272
LEU A 324
THR A 139
PHE A  23
 None
 1.40A 2oaxF-3s5sA:
undetectable		 2oaxF-3s5sA:
19.95
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.
3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		5 LEU A  14
ALA A  13
LEU A 216
LEU A 180
PHE A  68
 None
 1.25A 2oaxF-3up8A:
undetectable		 2oaxF-3up8A:
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 LEU A 357
ALA A 358
LEU A 263
ARG A 193
THR A 369
 None
None
FAD  A1509 (-4.4A)
None
None
 1.37A 2oaxF-3zxsA:
undetectable		 2oaxF-3zxsA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4au2 SERPIN PEPTIDASE
INHIBITOR, CLADE H
(HEAT SHOCK PROTEIN
47), MEMBER 1,
(COLLAGEN BINDING
PROTEIN 1)

(Canis lupus) 		PF00079
(Serpin) 		5 LEU A  50
ALA A  51
MET A  58
THR A 355
PHE A 402
 None
 1.41A 2oaxF-4au2A:
undetectable		 2oaxF-4au2A:
20.51
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.
4bps FKBO

(Streptomyces
hygroscopicus) 		no annotation 5 ASN A 139
ALA A 179
MET A 176
LEU A 166
THR A 115
 3EB  A1345 ( 4.7A)
3EB  A1345 (-2.9A)
None
None
None
 1.32A 2oaxF-4bpsA:
undetectable		 2oaxF-4bpsA:
22.35
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.
4cbw ACTIN, ALPHA
SKELETAL MUSCLE,
ACTIN

(Plasmodium
berghei;
synthetic
construct) 		PF00022
(Actin) 		5 ALA A   8
GLN A   7
TRP A 357
LEU A 347
THR A 107
 None
 1.38A 2oaxF-4cbwA:
undetectable		 2oaxF-4cbwA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 LEU A 179
ALA A 175
LEU A 262
LEU A 196
PHE A 133
 None
 1.34A 2oaxF-4e2zA:
undetectable		 2oaxF-4e2zA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 MET A 282
LEU A 247
LEU A 297
THR A 125
PHE A  18
 None
None
None
ALA  A 402 (-3.5A)
GLU  A 403 (-4.6A)
 1.37A 2oaxF-4gfiA:
undetectable		 2oaxF-4gfiA:
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 ASN A 445
LEU A 449
ALA A 448
LEU A 454
THR A 804
 None
None
None
None
FAD  A 901 (-4.1A)
 1.33A 2oaxF-4hsuA:
undetectable		 2oaxF-4hsuA:
15.76
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 LEU A 449
MET A 458
LEU A 454
LEU A 575
THR A 804
 None
None
None
None
FAD  A 901 (-4.1A)
 1.44A 2oaxF-4hsuA:
undetectable		 2oaxF-4hsuA:
15.76
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.
4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 LEU A 284
ALA A 285
ARG A 365
THR A 214
PHE A 288
 None
 1.40A 2oaxF-4je5A:
undetectable		 2oaxF-4je5A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jrf PUTATIVE CELL
ADHESION PROTEIN

(Bacteroides
ovatus) 		PF15495
(Fimbrillin_C) 		5 ASN A 242
LEU A 241
ALA A 240
LEU A 470
THR A 486
 None
 1.31A 2oaxF-4jrfA:
undetectable		 2oaxF-4jrfA:
17.86
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.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASN A 463
LEU A 542
ALA A 513
LEU A 587
PHE A 462
 None
 1.23A 2oaxF-4ks8A:
undetectable		 2oaxF-4ks8A:
20.77
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.
4ldp NDP-FOROSAMYLTRANSFE
RASE

(Saccharopolyspora
spinosa) 		PF06722
(DUF1205) 		5 LEU A 151
ALA A 153
LEU A 215
LEU A 363
THR A 341
 None
 1.46A 2oaxF-4ldpA:
undetectable		 2oaxF-4ldpA:
21.44
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.
4mmp SIALIC ACID BINDING
PROTEIN

(Pasteurella
multocida) 		PF03480
(DctP) 		5 ASN A 126
ALA A 124
LEU A 219
THR A 193
PHE A 251
 None
 1.42A 2oaxF-4mmpA:
undetectable		 2oaxF-4mmpA:
23.68
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 286
ALA A 287
TRP A 320
MET A 321
ARG A 331
PHE A 462
 None
 0.60A 2oaxF-4n1yA:
27.8		 2oaxF-4n1yA:
26.57
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.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		5 LEU A 254
ALA A 253
LEU A 193
THR A 157
PHE A 171
 None
 1.44A 2oaxF-4n81A:
undetectable		 2oaxF-4n81A:
20.82
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.
4oah MITOCHONDRIAL
DYNAMIC PROTEIN
MID51

(Mus musculus) 		PF03281
(Mab-21) 		5 LEU A 412
ALA A 411
TRP A 399
LEU A 139
LEU A 362
 None
 1.22A 2oaxF-4oahA:
undetectable		 2oaxF-4oahA:
22.03
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.
4ouo ANTI BLA G 1 SCFV

(Gallus gallus) 		PF07686
(V-set) 		5 ASN A 197
LEU A 199
ALA A 131
GLN A 126
LEU A 134
 None
 1.41A 2oaxF-4ouoA:
undetectable		 2oaxF-4ouoA:
22.05
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) 		11 ASN A 564
LEU A 566
GLN A 570
TRP A 600
MET A 601
LEU A 608
ARG A 611
LEU A 732
CYH A 736
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 0.49A 2oaxF-4p6wA:
34.1		 2oaxF-4p6wA:
56.25
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 ASN A 564
LEU A 621
CYH A 736
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 1.07A 2oaxF-4p6wA:
34.1		 2oaxF-4p6wA:
56.25
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.
4pwa PUTATIVE CYTOCHROME
C

(Sinorhizobium
meliloti) 		PF13442
(Cytochrome_CBB3) 		5 ASN A  77
LEU A 103
ALA A 102
LEU A  34
LEU A  93
 None
 1.42A 2oaxF-4pwaA:
undetectable		 2oaxF-4pwaA:
17.19
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.
4q5y MATERNAL PROTEIN
TUDOR

(Drosophila
melanogaster) 		PF00567
(TUDOR) 		5 LEU A2398
ALA A2397
CYH A2423
THR A2436
PHE A2439
 None
 1.23A 2oaxF-4q5yA:
undetectable		 2oaxF-4q5yA:
20.46
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.
4qfe ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 LEU A 113
MET A  85
LEU A 137
CYH A  61
THR A  59
 None
 1.47A 2oaxF-4qfeA:
undetectable		 2oaxF-4qfeA:
23.69
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.
4qiu NITRONATE
MONOOXYGENASE FAMILY
PROTEIN

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 ALA A  18
GLN A  17
LEU A  38
LEU A 153
CYH A 155
 FMN  A 401 (-3.5A)
None
None
None
None
 1.45A 2oaxF-4qiuA:
undetectable		 2oaxF-4qiuA:
21.15
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.
4roa SERPIN 2

(Anopheles
gambiae) 		PF00079
(Serpin) 		5 LEU A 330
ALA A  70
LEU A 191
LEU A  64
THR A  98
 None
 1.44A 2oaxF-4roaA:
undetectable		 2oaxF-4roaA:
20.35
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) 		12 ASN A 770
LEU A 772
ALA A 773
GLN A 776
TRP A 806
MET A 807
LEU A 814
ARG A 817
LEU A 938
CYH A 942
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.50A 2oaxF-4udbA:
36.0		 2oaxF-4udbA:
91.54
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 ASN A 770
LEU A 827
LEU A 938
CYH A 942
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 1.16A 2oaxF-4udbA:
36.0		 2oaxF-4udbA:
91.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ut1 FLAGELLAR
HOOK-ASSOCIATED
PROTEIN

(Burkholderia
pseudomallei) 		PF06429
(Flg_bbr_C) 		5 ASN A 137
LEU A 141
ALA A 138
LEU A 571
THR A 120
 EDO  A1634 ( 3.2A)
None
None
None
None
 1.36A 2oaxF-4ut1A:
undetectable		 2oaxF-4ut1A:
16.19
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.
4w5w RIBULOSE
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E ACTIVASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00004
(AAA) 		5 LEU A 147
LEU A 167
CYH A 224
THR A 225
PHE A 229
 None
 1.31A 2oaxF-4w5wA:
undetectable		 2oaxF-4w5wA:
21.93
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 ALA A1579
GLN A1557
LEU A1584
THR A1163
PHE A1177
 SAH  A1706 (-4.0A)
None
None
None
None
 1.35A 2oaxF-4wxxA:
undetectable		 2oaxF-4wxxA:
11.74
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.
5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK

(Cupriavidus
necator) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 LEU A  95
ALA A 146
LEU A 168
LEU A 217
THR A 196
 None
 1.25A 2oaxF-5aa5A:
undetectable		 2oaxF-5aa5A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b01 MOEN5

(Streptomyces
viridosporus) 		no annotation 5 ASN A   8
LEU A  59
ALA A  60
LEU A 150
LEU A  34
 None
 1.18A 2oaxF-5b01A:
undetectable		 2oaxF-5b01A:
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.
5b0l MOEN5,DNA-BINDING
PROTEIN 7D

(Streptomyces
viridosporus;
Sulfolobus
solfataricus) 		no annotation 5 ASN A   8
LEU A  59
ALA A  60
LEU A 150
LEU A  34
 None
None
None
BNG  A 501 ( 4.0A)
BNG  A 501 (-3.8A)
 1.24A 2oaxF-5b0lA:
undetectable		 2oaxF-5b0lA:
20.11
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ASN A 279
LEU A 281
LEU A 392
THR A 366
PHE A 348
 None
 1.31A 2oaxF-5bwiA:
undetectable		 2oaxF-5bwiA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 ASN A  19
LEU A  63
LEU A 105
CYH A 190
THR A  26
 None
 1.41A 2oaxF-5cm5A:
undetectable		 2oaxF-5cm5A:
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.
5f22 NON-STRUCTURAL
PROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08717
(nsp8) 		5 ASN B 110
LEU B 108
ALA B 107
LEU B 133
THR B 146
 None
 1.14A 2oaxF-5f22B:
undetectable		 2oaxF-5f22B:
18.67
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ALA A 182
GLN A  48
LEU A  69
LEU A 165
PHE A  13
 None
 1.41A 2oaxF-5f7cA:
undetectable		 2oaxF-5f7cA:
15.64
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		5 ALA A1581
GLN A1559
LEU A1586
THR A1166
PHE A1180
 SAH  A1701 (-3.5A)
None
None
None
None
 1.35A 2oaxF-5gutA:
undetectable		 2oaxF-5gutA:
15.13
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.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ASN A 127
MET A 140
LEU A 174
LEU A 162
THR A 155
 None
None
None
None
SRM  A 702 (-3.2A)
 1.30A 2oaxF-5h8yA:
undetectable		 2oaxF-5h8yA:
19.29
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.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ASN A 113
LEU A 156
LEU A 206
LEU A 121
THR A  68
 None
 1.22A 2oaxF-5jo7A:
undetectable		 2oaxF-5jo7A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 ALA A 822
GLN A 296
MET A 302
LEU A 830
PHE A 797
 None
 1.42A 2oaxF-5l3dA:
undetectable		 2oaxF-5l3dA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlq CDPS

(Nocardia
brasiliensis) 		no annotation 5 LEU A 116
ALA A 115
LEU A  68
ARG A  70
LEU A  32
 None
 1.40A 2oaxF-5mlqA:
undetectable		 2oaxF-5mlqA:
16.00
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 12 ASN A 770
LEU A 772
ALA A 773
GLN A 776
TRP A 806
MET A 807
LEU A 814
ARG A 817
LEU A 938
CYH A 942
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.50A 2oaxF-5mwpA:
37.8		 2oaxF-5mwpA:
73.75
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 5 ASN A 770
LEU A 827
CYH A 942
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
None
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 1.15A 2oaxF-5mwpA:
37.8		 2oaxF-5mwpA:
73.75
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 5 ALA A 264
GLN A 242
ARG A 237
LEU A 346
PHE A 313
 None
 1.26A 2oaxF-5nfgA:
undetectable		 2oaxF-5nfgA:
19.95
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 LEU A 166
ALA A 174
LEU A 275
LEU A 541
PHE A 190
 None
 1.42A 2oaxF-5opqA:
undetectable		 2oaxF-5opqA:
15.29
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.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 301
ALA A 302
TRP A 335
MET A 336
LEU A 343
ARG A 346
 EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
None
EST  A 601 ( 3.7A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 0.42A 2oaxF-5toaA:
25.3		 2oaxF-5toaA:
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.
5tv2 ELONGATION FACTOR G

(Vibrio
vulnificus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		5 LEU A 263
ALA A 264
LEU A 222
LEU A 171
PHE A 140
 None
 1.32A 2oaxF-5tv2A:
undetectable		 2oaxF-5tv2A:
18.53
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 6 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.72A 2oaxF-5uc1A:
22.5		 2oaxF-5uc1A:
57.50
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 6 LEU A 562
GLN A 566
TRP A 596
MET A 597
LEU A 604
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.64A 2oaxF-5uc1A:
22.5		 2oaxF-5uc1A:
57.50
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) 		11 ASN A  33
LEU A  35
GLN A  39
TRP A  69
MET A  70
LEU A  77
ARG A  80
LEU A 201
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.52A 2oaxF-5ufsA:
35.7		 2oaxF-5ufsA:
62.15
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 ASN A  33
LEU A  90
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
None
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 1.13A 2oaxF-5ufsA:
35.7		 2oaxF-5ufsA:
62.15
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ASN B 778
MET B 627
LEU B 620
LEU B 507
PHE B 745
 None
 1.17A 2oaxF-5vniB:
undetectable		 2oaxF-5vniB:
16.31
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.
5voc ENVELOPE
GLYCOPROTEIN H

(Human
betaherpesvirus
5) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		5 LEU A 348
ALA A 345
LEU A 313
THR A 272
PHE A 250
 None
 1.46A 2oaxF-5vocA:
undetectable		 2oaxF-5vocA:
15.76
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 5 LEU A 473
ALA A 474
LEU A 523
LEU A 570
THR A 626
 None
 1.23A 2oaxF-5xpgA:
undetectable		 2oaxF-5xpgA:
16.73
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 LEU A 384
ALA A 363
LEU A 371
LEU A 395
PHE A 560
 None
SEB  A 360 ( 3.3A)
None
None
None
 1.39A 2oaxF-5ydjA:
undetectable		 2oaxF-5ydjA:
17.95
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.
6bb9 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Salmonella
enterica) 		no annotation 5 LEU A 238
ALA A 237
LEU A  79
LEU A  39
PHE A 204
 None
MES  A 301 (-3.3A)
None
None
None
 1.39A 2oaxF-6bb9A:
undetectable		 2oaxF-6bb9A:
23.00