SIMILAR PATTERNS OF AMINO ACIDS FOR 1YA3_A_STRA1001_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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASN B 200
ALA B 230
LEU B 235
MET B 270
THR B 170
 KCX  B 219 ( 4.2A)
None
None
None
None
 1.38A 1ya3A-1e9yB:
undetectable		 1ya3A-1e9yB:
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.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 349
ALA A 350
LEU A 391
ARG A 394
MET A 421
 EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
 0.60A 1ya3A-1pcgA:
26.6		 1ya3A-1pcgA:
29.43
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 LEU A 208
ASN A 195
ALA A  27
GLN A  28
ARG A 246
 None
NAG  A 801 (-1.9A)
None
None
None
 1.46A 1ya3A-1rj6A:
undetectable		 1ya3A-1rj6A:
20.76
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ASN A 748
LEU A 745
ALA A 752
LEU A 499
MET A 359
 None
 1.15A 1ya3A-1rrhA:
undetectable		 1ya3A-1rrhA:
16.52
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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 158
LEU A  71
ALA A  70
LEU A  14
THR A 126
 None
 1.43A 1ya3A-2ag1A:
undetectable		 1ya3A-2ag1A:
20.28
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
ASN A 705
LEU A 707
GLN A 711
MET A 742
ARG A 752
MET A 780
MET A 787
 None
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 ( 4.3A)
BHM  A   1 (-3.6A)
 0.74A 1ya3A-2ax9A:
34.8		 1ya3A-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.
2b8n GLYCERATE KINASE,
PUTATIVE

(Thermotoga
maritima) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 LEU A 329
ASN A 326
LEU A 399
ALA A 360
THR A 313
 None
 1.30A 1ya3A-2b8nA:
undetectable		 1ya3A-2b8nA:
20.09
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.
2be4 HYPOTHETICAL PROTEIN
LOC449832

(Danio rerio) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 LEU A 167
LEU A 266
ALA A 263
LEU A 245
MET A 107
 None
 1.30A 1ya3A-2be4A:
undetectable		 1ya3A-2be4A:
20.21
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 253
ASN A 271
LEU A 269
ALA A 298
ARG A  81
 None
 1.18A 1ya3A-2dpnA:
undetectable		 1ya3A-2dpnA:
19.79
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.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 265
LEU A 271
ALA A 272
MET A 306
ARG A 316
 None
OHT  A 500 ( 4.4A)
OHT  A 500 (-3.5A)
OHT  A 500 (-3.9A)
OHT  A 500 (-3.8A)
 0.45A 1ya3A-2gpvA:
25.9		 1ya3A-2gpvA:
27.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ix5 ACYL-COENZYME A
OXIDASE 4,
PEROXISOMAL

(Arabidopsis
thaliana) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 393
LEU A 401
ALA A 376
MET A 333
CYH A 306
 None
 1.34A 1ya3A-2ix5A:
undetectable		 1ya3A-2ix5A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		5 LEU A 790
LEU A 787
LEU A 809
MET A 693
THR A 716
 None
 1.38A 1ya3A-2oajA:
undetectable		 1ya3A-2oajA:
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.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 349
ALA A 350
LEU A 391
ARG A 394
MET A 421
 EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
 0.58A 1ya3A-2ocfA:
27.8		 1ya3A-2ocfA:
28.52
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  28
LEU A  35
GLN A  39
LEU A  77
ARG A  80
 None
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
 1.14A 1ya3A-2q3yA:
36.9		 1ya3A-2q3yA:
72.55
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 LEU A  29
ASN A  33
LEU A  35
ALA A  36
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 108
MET A 115
CYH A 205
THR A 208
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
1CA  A 247 ( 3.7A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
 0.48A 1ya3A-2q3yA:
36.9		 1ya3A-2q3yA:
72.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ras TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Novosphingobium
aromaticivorans) 		PF00440
(TetR_N) 		5 LEU A 134
ASN A 160
LEU A 158
MET A  87
CYH A 167
 None
EDO  A 216 ( 4.0A)
None
None
EDO  A 216 (-4.3A)
 1.41A 1ya3A-2rasA:
undetectable		 1ya3A-2rasA:
21.54
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A  65
LEU A  91
ALA A  58
LEU A  86
MET A  80
 None
 1.27A 1ya3A-2v7bA:
undetectable		 1ya3A-2v7bA:
19.17
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.
2zqe MUTS2 PROTEIN

(Thermus
thermophilus) 		PF01713
(Smr) 		5 LEU A  54
ALA A  23
GLN A  22
LEU A  18
THR A  76
 None
 1.48A 1ya3A-2zqeA:
undetectable		 1ya3A-2zqeA:
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ALA A 361
GLN A 362
MET A 460
CYH A 431
THR A 435
 None
 1.38A 1ya3A-3a9sA:
undetectable		 1ya3A-3a9sA:
17.09
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.
3djl PROTEIN AIDB

(Escherichia
coli) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 LEU A 348
LEU A 532
MET A 506
LEU A 523
THR A 352
 None
 1.45A 1ya3A-3djlA:
undetectable		 1ya3A-3djlA:
18.10
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.
3dmp URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Burkholderia
pseudomallei) 		PF14681
(UPRTase) 		5 LEU A 164
ALA A 168
LEU A 204
ARG A  26
MET A  90
 None
 1.21A 1ya3A-3dmpA:
undetectable		 1ya3A-3dmpA:
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.
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)
 1.17A 1ya3A-3e2dA:
undetectable		 1ya3A-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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		5 ALA A 168
LEU A 189
ARG A 247
MET A 181
THR A 144
 None
None
None
None
GOL  A 360 (-2.8A)
 1.47A 1ya3A-3f0hA:
undetectable		 1ya3A-3f0hA:
22.86
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.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 LEU A 202
ALA A 526
GLN A 525
LEU A 468
MET A 491
 None
 1.49A 1ya3A-3gmeA:
undetectable		 1ya3A-3gmeA:
17.95
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 714
GLN A 725
LEU A 763
ARG A 766
MET A 801
 None
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
 1.36A 1ya3A-3kbaA:
35.2		 1ya3A-3kbaA:
54.90
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) 		9 LEU A 715
ASN A 719
LEU A 721
MET A 756
LEU A 763
ARG A 766
MET A 801
CYH A 891
THR A 894
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
 0.58A 1ya3A-3kbaA:
35.2		 1ya3A-3kbaA:
54.90
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 LEU A 721
GLN A 725
MET A 756
LEU A 763
ARG A 766
MET A 801
CYH A 891
THR A 894
 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 (-4.2A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
 0.78A 1ya3A-3kbaA:
35.2		 1ya3A-3kbaA:
54.90
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.
3kz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 11

(Homo sapiens) 		PF00621
(RhoGEF) 		5 LEU A 775
LEU A 842
ALA A 839
MET A 764
MET A 857
 None
 1.01A 1ya3A-3kz1A:
undetectable		 1ya3A-3kz1A:
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.
3pb9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE-LIK
E PROTEIN

(Homo sapiens) 		PF04389
(Peptidase_M28) 		5 LEU X 195
LEU X  88
ALA X 200
LEU X 376
THR X 122
 None
 1.50A 1ya3A-3pb9X:
undetectable		 1ya3A-3pb9X:
23.82
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
GLN A  39
LEU A  77
ARG A  80
 None
1CA  A 249 ( 4.4A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
 1.15A 1ya3A-3ry9A:
36.3		 1ya3A-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) 		11 LEU A  29
ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 108
MET A 115
CYH A 205
THR A 208
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.4A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 (-3.6A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
 0.42A 1ya3A-3ry9A:
36.3		 1ya3A-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.
3sh5 LG3 PEPTIDE

(Homo sapiens) 		PF00054
(Laminin_G_1) 		5 LEU A  46
LEU A  16
ALA A  17
LEU A 163
THR A 148
 None
 1.47A 1ya3A-3sh5A:
undetectable		 1ya3A-3sh5A:
19.22
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 235
LEU A 280
ALA A 277
LEU A 285
THR A 317
 None
 1.42A 1ya3A-3sheA:
undetectable		 1ya3A-3sheA:
21.34
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.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		5 LEU A 241
ASN A 195
LEU A 193
LEU A 535
ARG A 531
 None
 1.16A 1ya3A-3u24A:
undetectable		 1ya3A-3u24A:
19.28
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.
3wj9 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2A

(Schizosaccharomyces
pombe) 		PF08662
(eIF2A) 		5 LEU A  17
ASN A  19
ALA A  20
LEU A 369
THR A  62
 None
 1.29A 1ya3A-3wj9A:
undetectable		 1ya3A-3wj9A:
22.33
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.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		5 LEU A 359
ASN A 431
LEU A 433
ALA A 430
LEU A 400
 None
 1.41A 1ya3A-3zbmA:
undetectable		 1ya3A-3zbmA:
19.87
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.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		5 LEU A 177
ASN A 180
ALA A 183
MET A   1
LEU A 392
 GOL  A1404 (-3.7A)
None
None
None
None
 1.46A 1ya3A-3zlbA:
undetectable		 1ya3A-3zlbA:
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.
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
 1.35A 1ya3A-3zxsA:
undetectable		 1ya3A-3zxsA:
18.04
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.
4a2i PUTATIVE RIBOSOME
BIOGENESIS GTPASE
RSGA

(Salmonella
enterica) 		PF03193
(RsgA_GTPase) 		5 LEU V 243
ASN V 233
LEU V 231
ALA V 234
LEU V 213
 None
 1.31A 1ya3A-4a2iV:
undetectable		 1ya3A-4a2iV:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4am9 CHAPERONE SYCD

(Yersinia
enterocolitica) 		PF07720
(TPR_3) 		5 LEU A  36
LEU A  42
ALA A  43
GLN A  46
CYH A  63
 None
 0.84A 1ya3A-4am9A:
undetectable		 1ya3A-4am9A:
22.27
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.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 20 KDA CHAIN
LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 LEU A  74
ALA B 308
MET B 333
LEU B 313
THR B 433
 None
NAG  A3020 ( 4.0A)
S35  A1259 ( 3.9A)
None
None
 1.35A 1ya3A-4az3A:
undetectable		 1ya3A-4az3A:
22.51
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.
4fdh CYTOCHROME P450
11B2, MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 324
LEU A 330
ALA A 331
GLN A 337
ARG A 341
 None
 1.19A 1ya3A-4fdhA:
undetectable		 1ya3A-4fdhA:
20.41
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.
4frx ANAEROBICALLY-INDUCE
D OUTER MEMBRANE
PORIN OPRE

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 LEU A  59
LEU A  62
ALA A  98
LEU A 132
THR A 117
 None
C8E  A 502 ( 4.3A)
C8E  A 502 ( 3.8A)
None
None
 1.31A 1ya3A-4frxA:
undetectable		 1ya3A-4frxA:
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.
4l5t INTERFERON-ACTIVABLE
PROTEIN 202

(Mus musculus) 		PF02760
(HIN) 		5 LEU A 367
LEU A 324
ALA A 325
MET A 281
THR A 433
 None
 1.48A 1ya3A-4l5tA:
undetectable		 1ya3A-4l5tA:
22.68
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 280
LEU A 286
ALA A 287
MET A 321
ARG A 331
MET A 358
 None
 0.68A 1ya3A-4n1yA:
28.3		 1ya3A-4n1yA:
27.96
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.
4nbq POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Coxiella
burnetii) 		PF00013
(KH_1)
PF00575
(S1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 LEU A 201
ALA A 529
GLN A 528
LEU A 471
MET A 494
 None
 1.41A 1ya3A-4nbqA:
undetectable		 1ya3A-4nbqA:
16.22
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) 		9 ASN A 564
LEU A 566
GLN A 570
MET A 601
LEU A 608
ARG A 611
MET A 646
CYH A 736
THR A 739
 MOF  A 801 (-3.0A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
 0.66A 1ya3A-4p6wA:
33.9		 1ya3A-4p6wA:
56.47
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.
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
 1.49A 1ya3A-4qfeA:
undetectable		 1ya3A-4qfeA:
23.08
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) 		11 LEU A 766
ASN A 770
LEU A 772
ALA A 773
GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 852
CYH A 942
THR A 945
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
 0.37A 1ya3A-4udbA:
37.2		 1ya3A-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.
4ynq THREE-PRIME REPAIR
EXONUCLEASE 1

(Mus musculus) 		no annotation 5 LEU A 121
LEU A  37
ALA A  38
LEU A  44
THR A 150
 None
 1.41A 1ya3A-4ynqA:
undetectable		 1ya3A-4ynqA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 163
LEU A  71
ALA A  70
LEU A  11
THR A 131
 None
 1.38A 1ya3A-5ahkA:
undetectable		 1ya3A-5ahkA:
16.92
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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 LEU A 351
ASN A 348
LEU A 344
ALA A 345
LEU A 302
 None
 1.40A 1ya3A-5h7dA:
undetectable		 1ya3A-5h7dA:
20.32
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 LEU A 659
ALA A 576
MET A 602
LEU A 644
CYH A 628
 None
 1.42A 1ya3A-5hy7A:
undetectable		 1ya3A-5hy7A:
12.27
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 LEU A 765
LEU A 772
GLN A 776
LEU A 814
ARG A 817
 None
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
 1.11A 1ya3A-5mwpA:
38.0		 1ya3A-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 11 LEU A 766
ASN A 770
LEU A 772
ALA A 773
GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 845
CYH A 942
THR A 945
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
 0.41A 1ya3A-5mwpA:
38.0		 1ya3A-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 LEU A 766
ASN A 770
LEU A 827
CYH A 942
THR A 945
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
None
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
 1.32A 1ya3A-5mwpA:
38.0		 1ya3A-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 8 LEU A 772
ALA A 773
GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 852
CYH A 942
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
ECV  A1101 (-4.0A)
 0.77A 1ya3A-5mwpA:
38.0		 1ya3A-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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ASN A 369
LEU A 367
ALA A 366
LEU A 292
MET A 222
 8R5  A 502 (-3.4A)
None
None
None
None
 1.20A 1ya3A-5nagA:
undetectable		 1ya3A-5nagA:
20.30
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.
5nci LEUCINE HYDROXYLASE

(Streptomyces
muensis) 		PF05721
(PhyH) 		5 LEU A 223
ASN A  97
LEU A  58
ALA A  57
ARG A  64
 AKG  A 302 ( 4.8A)
AKG  A 302 (-3.3A)
None
None
None
 1.39A 1ya3A-5nciA:
undetectable		 1ya3A-5nciA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 301
ALA A 302
MET A 336
LEU A 343
ARG A 346
 EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
EST  A 601 ( 3.7A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 0.39A 1ya3A-5toaA:
25.1		 1ya3A-5toaA:
29.70
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 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 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)
486  A 801 ( 3.8A)
 0.77A 1ya3A-5uc1A:
22.1		 1ya3A-5uc1A:
56.25
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 5 LEU A 562
GLN A 566
LEU A 604
ARG A 607
MET A 635
 486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.09A 1ya3A-5uc1A:
22.1		 1ya3A-5uc1A:
56.25
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 ASN A  33
LEU A  35
GLN A  39
LEU A  77
ARG A  80
MET A 108
MET A 115
THR A 208
 1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 2.8A)
1TA  A 301 (-3.0A)
 1.01A 1ya3A-5ufsA:
35.5		 1ya3A-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) 		9 ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 115
CYH A 205
THR A 208
 1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
 0.46A 1ya3A-5ufsA:
35.5		 1ya3A-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) 		7 LEU A  28
LEU A  35
GLN A  39
LEU A  77
ARG A  80
MET A 108
MET A 115
 None
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 2.8A)
 1.44A 1ya3A-5ufsA:
35.5		 1ya3A-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.
5uhd RNA POLYMERASE SIGMA
FACTOR SIGA

(Mycobacterium
tuberculosis) 		PF00140
(Sigma70_r1_2)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		5 LEU F 257
LEU F 249
ALA F 291
LEU F 296
THR F 260
 None
 1.29A 1ya3A-5uhdF:
undetectable		 1ya3A-5uhdF:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xnz CRED

(Streptomyces
cremeus) 		no annotation 5 LEU A 111
ASN A  77
ALA A  72
LEU A  65
MET A  29
 None
 1.43A 1ya3A-5xnzA:
undetectable		 1ya3A-5xnzA:
13.36
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.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY

(uncultured
archaeon
MedDCM-OCT-S05-C57) 		no annotation 5 LEU A 204
LEU A 166
GLN A  10
LEU A  73
THR A 202
 None
NAD  A 402 (-3.8A)
NAD  A 402 (-3.8A)
AKB  A 401 (-4.1A)
None
 1.43A 1ya3A-5y1gA:
undetectable		 1ya3A-5y1gA:
21.30
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.
5y96 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR1

(Arabidopsis
thaliana) 		no annotation 5 LEU B 389
ASN B 390
LEU B 252
GLN B 315
MET B 374
 None
 1.45A 1ya3A-5y96B:
undetectable		 1ya3A-5y96B:
17.41
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.
6cc4 SOLUBLE CYTOCHROME
B562, LIPID II
FLIPPASE MURJ
CHIMERA

(Escherichia
coli) 		no annotation 5 LEU A 364
LEU A 279
ALA A 318
LEU A 325
CYH A 419
 None
 1.36A 1ya3A-6cc4A:
undetectable		 1ya3A-6cc4A:
15.75
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.
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
 1.30A 1ya3A-6el8A:
undetectable		 1ya3A-6el8A:
18.04
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 LEU A1627
ASN A1631
LEU A1633
LEU A1611
THR A1774
 None
 1.28A 1ya3A-6ez8A:
undetectable		 1ya3A-6ez8A:
11.30
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 126
LEU A 138
ALA A  95
LEU A 284
THR A 162
 None
 1.18A 1ya3A-6fv4A:
undetectable		 1ya3A-6fv4A:
14.23
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.
6gdt -

(-) 		no annotation 5 LEU A   2
LEU A 482
ALA A  18
GLN A  17
THR A  83
 None
 1.39A 1ya3A-6gdtA:
undetectable		 1ya3A-6gdtA:
undetectable