SIMILAR PATTERNS OF AMINO ACIDS FOR 2YDO_A_ADNA400

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.
1evs ONCOSTATIN M

(Homo sapiens) 		PF01291
(LIF_OSM) 		5 LEU A  17
THR A  21
LEU A  78
ASN A  75
ILE A 118
 None
 1.37A 2ydoA-1evsA:
2.2		 2ydoA-1evsA:
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.
1usv HEAT SHOCK PROTEIN
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90) 		5 LEU A 343
THR A 351
MET A 389
LEU A 378
ASN A 386
 None
 1.35A 2ydoA-1usvA:
undetectable		 2ydoA-1usvA:
20.06
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.
1zca G ALPHA I/12

(Mus musculus) 		PF00503
(G-alpha) 		5 PHE A 361
MET A  75
LEU A 247
ILE A 290
SER A 245
 None
 1.37A 2ydoA-1zcaA:
0.0		 2ydoA-1zcaA:
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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		5 LEU A  70
PHE A 235
MET A 185
LEU A 248
ILE A 252
 None
 1.46A 2ydoA-1zkjA:
0.0		 2ydoA-1zkjA:
20.47
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.
2ako GLUTAMATE 5-KINASE

(Campylobacter
jejuni) 		PF00696
(AA_kinase) 		5 LEU A 181
THR A 248
GLU A 190
LEU A 211
ILE A 187
 None
 1.36A 2ydoA-2akoA:
undetectable		 2ydoA-2akoA:
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.
2f9f FIRST MANNOSYL
TRANSFERASE (WBAZ-1)

(Archaeoglobus
fulgidus) 		PF00534
(Glycos_transf_1) 		5 LEU A  30
THR A  94
LEU A  43
ILE A  45
SER A  18
 None
 1.29A 2ydoA-2f9fA:
0.0		 2ydoA-2f9fA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fna CONSERVED
HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF01637
(ATPase_2) 		5 LEU A  80
PHE A 113
LEU A  98
ILE A 101
SER A 129
 None
 1.48A 2ydoA-2fnaA:
0.0		 2ydoA-2fnaA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 LEU A 293
LEU A  46
ASN A 277
ILE A 310
SER A 308
 None
 1.38A 2ydoA-2gn1A:
0.0		 2ydoA-2gn1A:
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.
2lrw UBIQUITIN, PUTATIVE

(Trypanosoma
brucei) 		PF00240
(ubiquitin) 		5 LEU A  44
THR A  67
GLU A  26
LEU A  18
ILE A  15
 None
 1.22A 2ydoA-2lrwA:
undetectable		 2ydoA-2lrwA:
14.33
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.
2o1a IRON-REGULATED
SURFACE DETERMINANT
PROTEIN A

(Staphylococcus
aureus) 		PF05031
(NEAT) 		5 LEU A 128
THR A 109
PHE A  57
LEU A  61
ILE A  96
 None
 1.17A 2ydoA-2o1aA:
undetectable		 2ydoA-2o1aA:
18.09
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.
2o55 PUTATIVE
GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Galdieria
sulphuraria) 		PF03009
(GDPD) 		5 LEU A 113
THR A  44
PHE A 101
LEU A 133
ILE A  54
 None
 1.46A 2ydoA-2o55A:
undetectable		 2ydoA-2o55A:
19.63
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.
2pyj DNA POLYMERASE

(Bacillus virus
phi29) 		PF03175
(DNA_pol_B_2) 		5 LEU A 381
PHE A 137
LEU A 177
ILE A 173
SER A 122
 None
 1.40A 2ydoA-2pyjA:
undetectable		 2ydoA-2pyjA:
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.
2pyj DNA POLYMERASE

(Bacillus virus
phi29) 		PF03175
(DNA_pol_B_2) 		5 PHE A 137
LEU A 177
ILE A 173
SER A 122
HIS A  61
 None
 1.28A 2ydoA-2pyjA:
undetectable		 2ydoA-2pyjA:
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.
2qar TELSAM DOMAIN

(Escherichia
coli) 		PF02198
(SAM_PNT) 		5 LEU B  65
MET B  57
TRP B  37
LEU B  38
ILE B  50
 None
 1.38A 2ydoA-2qarB:
undetectable		 2ydoA-2qarB:
14.69
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.
2r8u MICROTUBULE-ASSOCIAT
ED PROTEIN RP/EB
FAMILY MEMBER 1

(Homo sapiens) 		PF00307
(CH) 		5 LEU A  51
PHE A 111
MET A  20
ILE A  24
SER A  27
 None
 1.49A 2ydoA-2r8uA:
undetectable		 2ydoA-2r8uA:
21.02
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.
2uye REGULATORY PROTEIN

(Burkholderia
cepacia) 		PF03466
(LysR_substrate) 		5 LEU A 151
THR A 104
PHE A 167
GLU A 300
HIS A 206
 None
SCN  A1307 (-4.0A)
SCN  A1303 (-4.7A)
None
SCN  A1307 (-3.6A)
 0.98A 2ydoA-2uyeA:
undetectable		 2ydoA-2uyeA:
22.38
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.
2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN

(Clostridium
botulinum) 		PF07952
(Toxin_trans) 		5 LEU B 736
MET B 781
LEU B 788
ASN B 785
ILE B 728
 None
 1.44A 2ydoA-2w2dB:
1.7		 2ydoA-2w2dB:
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.
2x1g CADMUS

(Drosophila
melanogaster) 		PF03810
(IBN_N)
PF08389
(Xpo1) 		5 LEU F 345
LEU F 287
MET F 268
ILE F 272
HIS F 327
 None
 1.50A 2ydoA-2x1gF:
0.4		 2ydoA-2x1gF:
16.05
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.
2xs6 PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT BETA

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 246
THR A 249
GLU A 136
LEU A 225
ILE A 174
 None
 1.44A 2ydoA-2xs6A:
undetectable		 2ydoA-2xs6A:
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.
2z80 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A 273
PHE A 256
LEU A 234
ILE A 261
SER A 265
 None
 1.19A 2ydoA-2z80A:
undetectable		 2ydoA-2z80A:
20.73
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.
3aov PUTATIVE
UNCHARACTERIZED
PROTEIN PH0207

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		5 LEU A 418
THR A 421
MET A 399
LEU A 373
ILE A 377
 None
 1.30A 2ydoA-3aovA:
undetectable		 2ydoA-3aovA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 LEU A 291
GLU A 283
LEU A 273
ILE A 272
SER A 269
 None
 1.24A 2ydoA-3be7A:
undetectable		 2ydoA-3be7A:
21.26
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.
3cad LECTIN-RELATED NK
CELL RECEPTOR LY49G1

(Mus musculus) 		PF00059
(Lectin_C) 		5 LEU A 189
GLU A 182
LEU A 235
ILE A 252
SER A 195
 None
 1.31A 2ydoA-3cadA:
undetectable		 2ydoA-3cadA:
14.52
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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		5 GLU A 393
LEU A 310
ILE A 313
SER A 309
HIS A 359
 None
 1.49A 2ydoA-3cuxA:
undetectable		 2ydoA-3cuxA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eo7 PUTATIVE
NITROREDUCTASE

(Trichormus
variabilis) 		PF00881
(Nitroreductase) 		5 THR A 277
PHE A 169
GLU A 228
ASN A 218
ILE A 231
 None
None
None
ACT  A 715 (-3.8A)
None
 1.21A 2ydoA-3eo7A:
undetectable		 2ydoA-3eo7A:
20.49
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.
3g7q VALINE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		5 LEU A 359
GLU A 353
MET A 387
LEU A 348
ILE A 350
 None
 1.29A 2ydoA-3g7qA:
undetectable		 2ydoA-3g7qA:
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.
3hdo HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Geobacter
metallireducens) 		PF00155
(Aminotran_1_2) 		5 LEU A 310
THR A 342
MET A 329
LEU A 279
ILE A 282
 None
 1.42A 2ydoA-3hdoA:
undetectable		 2ydoA-3hdoA:
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.
3kyq SYNAPTOBREVIN
HOMOLOG YKT6

(Rattus
norvegicus) 		PF00957
(Synaptobrevin)
PF13774
(Longin) 		5 LEU A 153
GLU A  61
LEU A 160
ILE A  47
SER A  51
 None
 1.18A 2ydoA-3kyqA:
undetectable		 2ydoA-3kyqA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 LEU A 217
THR A 203
LEU A 183
ILE A 173
SER A 177
 None
 1.24A 2ydoA-3l5oA:
undetectable		 2ydoA-3l5oA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		5 LEU A 397
PHE A 460
GLU A 404
SER A 224
HIS A 257
 None
 1.45A 2ydoA-3m62A:
undetectable		 2ydoA-3m62A:
16.62
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.
3nyb POLY(A) RNA
POLYMERASE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		5 LEU A 329
PHE A 447
LEU A 421
ILE A 440
SER A 437
 None
 1.45A 2ydoA-3nybA:
undetectable		 2ydoA-3nybA:
20.91
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.
3o0k ALDO/KETO REDUCTASE

(Brucella
abortus) 		PF00248
(Aldo_ket_red) 		5 LEU A  36
GLU A 258
LEU A 209
ILE A 235
HIS A 239
 None
 1.40A 2ydoA-3o0kA:
undetectable		 2ydoA-3o0kA:
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.
3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1

(Homo sapiens) 		PF00452
(Bcl-2) 		5 LEU A 235
PHE A 270
LEU A 290
ILE A 294
SER A 293
 None
 1.30A 2ydoA-3pk1A:
undetectable		 2ydoA-3pk1A:
17.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 LEU A  85
THR A  88
PHE A 168
GLU A 169
MET A 177
 UKA  A1200 (-4.8A)
UKA  A1200 (-3.6A)
UKA  A1200 (-3.4A)
UKA  A1200 (-2.7A)
UKA  A1200 (-4.8A)
 1.14A 2ydoA-3qakA:
39.0		 2ydoA-3qakA:
64.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		10 LEU A  85
THR A  88
PHE A 168
MET A 177
TRP A 246
LEU A 249
ASN A 253
ILE A 274
SER A 277
HIS A 278
 UKA  A1200 (-4.8A)
UKA  A1200 (-3.6A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.8A)
None
UKA  A1200 (-4.9A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.9A)
UKA  A1200 (-2.9A)
UKA  A1200 (-3.9A)
 0.31A 2ydoA-3qakA:
39.0		 2ydoA-3qakA:
64.09
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.
3szb ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		5 LEU A 119
LEU A  51
ASN A 238
ILE A 285
SER A 142
 I1E  A1001 ( 4.8A)
None
None
None
None
 1.29A 2ydoA-3szbA:
undetectable		 2ydoA-3szbA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3szb ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		5 PHE A 335
LEU A  51
ASN A 238
ILE A 285
SER A 142
 None
 1.22A 2ydoA-3szbA:
undetectable		 2ydoA-3szbA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tw8 DENN
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF02141
(DENN)
PF03455
(dDENN)
PF03456
(uDENN) 		5 LEU A 296
THR A 301
PHE A 311
MET A 183
LEU A 171
 None
 1.30A 2ydoA-3tw8A:
undetectable		 2ydoA-3tw8A:
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.
3tzq SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		no annotation 5 LEU B  71
THR B  75
MET B 121
ASN B  87
ILE B  12
 None
 1.36A 2ydoA-3tzqB:
undetectable		 2ydoA-3tzqB:
24.56
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.
3vu9 CHROMOSOME
SEGREGATION IN
MEIOSIS PROTEIN 2

(Saccharomyces
cerevisiae) 		PF16834
(CSM2) 		5 LEU B  80
THR B 142
MET B 122
LEU B 199
ILE B 203
 None
 1.46A 2ydoA-3vu9B:
undetectable		 2ydoA-3vu9B:
19.38
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.
3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE

(Delftia sp.
HT23) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 LEU A 345
THR A 343
MET A 309
ILE A 335
HIS A 267
 None
 1.48A 2ydoA-3wqfA:
undetectable		 2ydoA-3wqfA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 LEU A 749
THR A 228
LEU A 111
ILE A 107
SER A 142
 None
 1.49A 2ydoA-4a01A:
2.0		 2ydoA-4a01A:
18.34
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.
4c41 CORTICOSTEROID-BINDI
NG GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		5 PHE A  24
MET A 297
LEU A  32
ILE A  43
HIS A 325
 None
 1.37A 2ydoA-4c41A:
undetectable		 2ydoA-4c41A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cxf CNRY
RNA POLYMERASE SIGMA
FACTOR CNRH

(Cupriavidus
metallidurans) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2)
PF17524
(CnrY) 		5 LEU A 138
THR A 134
TRP B   7
LEU B   8
ILE A 151
 None
 1.50A 2ydoA-4cxfA:
undetectable		 2ydoA-4cxfA:
21.78
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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 371
GLU A 224
ASN A 365
MET A 262
ILE A 258
 None
 1.27A 2ydoA-4dy0A:
undetectable		 2ydoA-4dy0A:
21.46
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.
4fmc RORF2

(Escherichia
coli) 		PF06872
(EspG) 		5 LEU A 163
THR A 321
GLU A 392
ILE A 307
SER A 311
 None
 1.20A 2ydoA-4fmcA:
undetectable		 2ydoA-4fmcA:
22.13
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.
4fwb HALOALKANE
DEHALOGENASE

(Rhodococcus
rhodochrous) 		PF00561
(Abhydrolase_1) 		5 LEU A  66
PHE A 205
GLU A 208
ILE A 132
SER A 109
 None
None
None
3KP  A2001 (-4.6A)
None
 1.37A 2ydoA-4fwbA:
undetectable		 2ydoA-4fwbA:
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.
4gn2 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		5 THR A 121
TRP A 157
LEU A 162
ILE A 143
SER A 156
 None
KCX  A  66 ( 4.2A)
None
None
None
 1.45A 2ydoA-4gn2A:
undetectable		 2ydoA-4gn2A:
20.18
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.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 LEU C 508
GLU C 484
MET C 519
ILE C 515
SER C 514
 None
 1.22A 2ydoA-4hb4C:
undetectable		 2ydoA-4hb4C:
14.93
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.
4jhr G-PROTEIN-SIGNALING
MODULATOR 2

(Mus musculus) 		PF02188
(GoLoco)
PF13176
(TPR_7)
PF13424
(TPR_12) 		5 LEU A 287
THR A 286
GLU A 622
SER A 320
HIS A 298
 None
 1.24A 2ydoA-4jhrA:
undetectable		 2ydoA-4jhrA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a6c G-PROTEIN-SIGNALING
MODULATOR 2, AFADIN

(Homo sapiens) 		PF13176
(TPR_7)
PF13181
(TPR_8)
PF13424
(TPR_12) 		5 LEU A 287
THR A 286
PHE A 372
SER A 320
HIS A 298
 None
 0.97A 2ydoA-5a6cA:
undetectable		 2ydoA-5a6cA:
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.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 5 PHE A 446
MET A 418
ASN A 416
SER A 223
HIS A 177
 None
 1.45A 2ydoA-5ah1A:
undetectable		 2ydoA-5ah1A:
20.52
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.
5c98 AGAP007691-PB

(Anopheles
gambiae) 		PF00079
(Serpin) 		5 LEU A 178
THR A 325
PHE A 122
GLU A 123
SER A 322
 None
 1.41A 2ydoA-5c98A:
undetectable		 2ydoA-5c98A:
22.56
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.
5cj4 XRCC4-MYH7-(1562-162
2) CHIMERA PROTEIN

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A  70
PHE A  97
LEU A  20
ILE A   8
SER A   6
 None
 1.18A 2ydoA-5cj4A:
undetectable		 2ydoA-5cj4A:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g53 ADENOSINE RECEPTOR
A2A

(Homo sapiens) 		PF00001
(7tm_1) 		12 LEU A  85
THR A  88
PHE A 168
GLU A 169
MET A 177
TRP A 246
LEU A 249
ASN A 253
MET A 270
ILE A 274
SER A 277
HIS A 278
 NEC  A 400 (-4.9A)
NEC  A 400 (-3.7A)
NEC  A 400 (-3.6A)
NEC  A 400 (-4.0A)
NEC  A 400 (-4.8A)
None
NEC  A 400 ( 4.6A)
NEC  A 400 (-3.3A)
None
NEC  A 400 (-4.6A)
NEC  A 400 (-2.7A)
NEC  A 400 (-3.6A)
 0.30A 2ydoA-5g53A:
38.3		 2ydoA-5g53A:
95.38
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.
5ig4 PREDICTED PROTEIN

(Nematostella
vectensis) 		PF08332
(CaMKII_AD) 		5 LEU A 392
LEU A 357
ASN A 464
ILE A 361
SER A 360
 None
 1.15A 2ydoA-5ig4A:
undetectable		 2ydoA-5ig4A:
18.53
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.
5ig5 CAMKII-B HUB

(Nematostella
vectensis) 		PF08332
(CaMKII_AD) 		5 LEU A 392
LEU A 357
ASN A 464
ILE A 361
SER A 360
 None
 1.21A 2ydoA-5ig5A:
undetectable		 2ydoA-5ig5A:
16.93
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.
5k9x TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Legionella
pneumophila) 		PF00290
(Trp_syntA) 		5 LEU A   8
THR A   7
MET A 209
MET A 100
ILE A  98
 None
 1.41A 2ydoA-5k9xA:
undetectable		 2ydoA-5k9xA:
20.91
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		5 LEU A 643
PHE A 610
GLU A 609
ASN A 659
ILE A  27
 None
 1.26A 2ydoA-5kvuA:
2.2		 2ydoA-5kvuA:
18.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n2s SOLUBLE CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		7 LEU A1193
PHE A1276
MET A1285
TRP A1352
LEU A1355
ASN A1359
HIS A1383
 None
8K8  A2001 ( 3.4A)
8K8  A2001 ( 4.5A)
None
8K8  A2001 ( 4.3A)
8K8  A2001 ( 3.1A)
None
 0.72A 2ydoA-5n2sA:
29.6		 2ydoA-5n2sA:
41.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n2s SOLUBLE CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		7 LEU A1193
PHE A1276
TRP A1352
LEU A1355
ASN A1359
ILE A1379
HIS A1383
 None
8K8  A2001 ( 3.4A)
None
8K8  A2001 ( 4.3A)
8K8  A2001 ( 3.1A)
8K8  A2001 ( 4.2A)
None
 0.89A 2ydoA-5n2sA:
29.6		 2ydoA-5n2sA:
41.69
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 THR A 711
PHE A 878
MET A 943
ILE A 824
HIS A 708
 None
 1.40A 2ydoA-5nn8A:
undetectable		 2ydoA-5nn8A:
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 LEU T1672
THR T1675
PHE T1611
LEU T1636
ILE T1627
 None
 1.26A 2ydoA-5ojsT:
undetectable		 2ydoA-5ojsT:
6.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uen ADENOSINE RECEPTOR
A1,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		8 LEU A  88
PHE A 171
MET A 180
TRP A 247
LEU A 250
ASN A 254
ILE A 274
HIS A 278
 None
DU1  A1201 (-3.5A)
DU1  A1201 (-3.4A)
None
DU1  A1201 (-4.4A)
DU1  A1201 (-3.1A)
DU1  A1201 (-4.3A)
None
 0.78A 2ydoA-5uenA:
30.7		 2ydoA-5uenA:
41.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uen ADENOSINE RECEPTOR
A1,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		8 LEU A  88
THR A  91
PHE A 171
MET A 180
TRP A 247
LEU A 250
ASN A 254
ILE A 274
 None
DU1  A1201 (-3.7A)
DU1  A1201 (-3.5A)
DU1  A1201 (-3.4A)
None
DU1  A1201 (-4.4A)
DU1  A1201 (-3.1A)
DU1  A1201 (-4.3A)
 1.07A 2ydoA-5uenA:
30.7		 2ydoA-5uenA:
41.41
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.
5xom GLYCOSAMINOGLYCAN
XYLOSYLKINASE

(Hydra vulgaris) 		no annotation 5 THR A  85
GLU A 304
TRP A  75
LEU A 236
ILE A 306
 None
 1.42A 2ydoA-5xomA:
undetectable		 2ydoA-5xomA:
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 5 LEU A 356
THR A 355
MET A 371
ILE A 410
SER A 380
 None
 1.47A 2ydoA-5y3jA:
undetectable		 2ydoA-5y3jA:
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 5 LEU A 356
THR A 355
MET A 371
LEU A 379
ILE A 410
 None
 1.17A 2ydoA-5y3jA:
undetectable		 2ydoA-5y3jA:
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.
5y5a KLLA0F20702P

(Kluyveromyces
lactis) 		no annotation 5 THR A  86
LEU A  20
MET A  35
ILE A  39
HIS A  43
 None
 1.39A 2ydoA-5y5aA:
undetectable		 2ydoA-5y5aA:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zvs VP2

(Aquareovirus C) 		no annotation 5 LEU 2 254
THR 2 257
PHE 2 370
LEU 2 285
ILE 2 354
 None
 1.49A 2ydoA-5zvs2:
undetectable		 2ydoA-5zvs2:
12.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo sapiens) 		no annotation 11 LEU A  85
PHE A 168
GLU A 169
MET A 177
TRP A 246
LEU A 249
ASN A 253
MET A 270
ILE A 274
SER A 277
HIS A 278
 None
ZMA  A1201 (-3.5A)
ZMA  A1201 (-4.1A)
None
None
ZMA  A1201 (-4.1A)
ZMA  A1201 (-3.2A)
ZMA  A1201 (-4.8A)
ZMA  A1201 (-4.8A)
None
None
 0.76A 2ydoA-6aqfA:
33.6		 2ydoA-6aqfA:
83.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo sapiens) 		no annotation 11 LEU A  85
THR A  88
PHE A 168
GLU A 169
MET A 177
TRP A 246
LEU A 249
ASN A 253
MET A 270
ILE A 274
SER A 277
 None
None
ZMA  A1201 (-3.5A)
ZMA  A1201 (-4.1A)
None
None
ZMA  A1201 (-4.1A)
ZMA  A1201 (-3.2A)
ZMA  A1201 (-4.8A)
ZMA  A1201 (-4.8A)
None
 1.09A 2ydoA-6aqfA:
33.6		 2ydoA-6aqfA:
83.75
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.
6cwo RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 5 LEU A 154
GLU A 236
MET A 261
ILE A 265
SER A 268
 None
 1.45A 2ydoA-6cwoA:
undetectable		 2ydoA-6cwoA:
11.49
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.
6d9h CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1

(Homo sapiens) 		no annotation 10 LEU R  88
THR R  91
PHE R 171
GLU R 172
MET R 180
TRP R 247
LEU R 250
ASN R 254
ILE R 274
HIS R 278
 ADN  R 400 ( 4.5A)
ADN  R 400 (-3.6A)
ADN  R 400 (-3.8A)
ADN  R 400 (-3.5A)
ADN  R 400 (-4.6A)
None
ADN  R 400 (-4.5A)
ADN  R 400 (-2.9A)
ADN  R 400 ( 4.9A)
ADN  R 400 (-4.1A)
 0.83A 2ydoA-6d9hR:
32.7		 2ydoA-6d9hR:
15.79
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.
6ero DIMETHYLADENOSINE
TRANSFERASE 2,
MITOCHONDRIAL,DIMETH
YLADENOSINE
TRANSFERASE 2,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 LEU A 147
PHE A 135
GLU A 140
LEU A 177
ILE A 216
 None
 1.29A 2ydoA-6eroA:
undetectable		 2ydoA-6eroA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gdg TRXA,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo sapiens) 		no annotation 10 LEU A  85
THR A  88
MET A 177
TRP A 246
LEU A 249
ASN A 253
MET A 270
ILE A 274
SER A 277
HIS A 278
 NEC  A 400 ( 4.5A)
NEC  A 400 (-3.8A)
NEC  A 400 (-4.3A)
None
NEC  A 400 (-4.9A)
NEC  A 400 (-3.5A)
None
NEC  A 400 (-4.2A)
NEC  A 400 (-3.5A)
NEC  A 400 (-3.7A)
 0.61A 2ydoA-6gdgA:
34.7		 2ydoA-6gdgA:
13.37