SIMILAR PATTERNS OF AMINO ACIDS FOR 2DR2_A_TRPA479

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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)
PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF) 		5 GLY A 245
GLY A 267
GLN A 240
GLN A 243
PHE B  38
 FAD  A 399 (-4.6A)
None
FAD  A 399 (-3.9A)
None
FAD  A 399 (-4.4A)
 1.25A 2dr2A-1efpA:
3.9		 2dr2A-1efpA:
21.43
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 TYR A 138
GLY A 458
GLY A 462
ILE A 140
PHE A 145
 None
 1.42A 2dr2A-1j0hA:
undetectable		 2dr2A-1j0hA:
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.
1jf5 ALPHA AMYLASE II

(Thermoactinomyces
vulgaris) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 TYR A 134
GLY A 455
GLY A 459
ILE A 136
PHE A 141
 None
 1.50A 2dr2A-1jf5A:
undetectable		 2dr2A-1jf5A:
21.19
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.
1kj2 KB5-C20 T-CELL
RECEPTOR ALPHA-CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 GLY A  83
GLN A  81
ILE A  77
GLN A  36
PHE A  62
 None
 1.47A 2dr2A-1kj2A:
undetectable		 2dr2A-1kj2A:
14.59
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 GLY A  39
GLY A 631
GLN A  38
GLU A 630
ILE A 124
 None
 1.29A 2dr2A-1lf9A:
undetectable		 2dr2A-1lf9A:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpo MALTOPORIN

(Escherichia
coli) 		PF02264
(LamB) 		5 GLY A  18
GLY A  15
THR A  14
GLU A 410
GLN A  21
 None
 1.39A 2dr2A-1mpoA:
undetectable		 2dr2A-1mpoA:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5t TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 GLY A 161
GLY A 163
GLU A 199
ILE A 307
PHE A 317
 None
 0.79A 2dr2A-1o5tA:
54.4		 2dr2A-1o5tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5t TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		7 TYR A 159
GLY A 161
GLY A 163
GLN A 194
THR A 196
GLU A 199
GLN A 284
 None
 0.69A 2dr2A-1o5tA:
54.4		 2dr2A-1o5tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5t TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		7 TYR A 159
GLY A 161
GLY A 163
GLN A 194
THR A 196
GLU A 199
ILE A 307
 None
 0.49A 2dr2A-1o5tA:
54.4		 2dr2A-1o5tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6u TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		11 TYR A 159
GLY A 161
GLY A 163
GLN A 194
THR A 196
GLU A 199
GLN A 284
ILE A 307
CYH A 309
GLN A 313
PHE A 317
 TYM  A 501 (-3.8A)
TYM  A 501 (-3.6A)
TYM  A 501 (-3.6A)
TYM  A 501 (-4.0A)
TYM  A 501 ( 3.8A)
TYM  A 501 (-3.0A)
TYM  A 501 (-3.2A)
TYM  A 501 (-4.8A)
TYM  A 501 (-4.8A)
TYM  A 501 (-3.6A)
TYM  A 501 (-4.7A)
 0.33A 2dr2A-1r6uA:
56.8		 2dr2A-1r6uA:
97.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 GLY A 393
GLY A 363
GLN A 395
GLN A 520
ILE A 508
 None
 1.39A 2dr2A-1vcnA:
2.4		 2dr2A-1vcnA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase) 		5 TYR A  35
GLY A 364
GLY A 368
ILE A  37
PHE A  42
 None
 1.50A 2dr2A-1wzaA:
undetectable		 2dr2A-1wzaA:
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.
1yd9 CORE HISTONE
MACRO-H2A.1

(Rattus
norvegicus) 		PF01661
(Macro) 		5 TYR A 171
GLN A  22
THR A  12
ILE A  31
PHE A   7
 None
 1.43A 2dr2A-1yd9A:
undetectable		 2dr2A-1yd9A:
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.
2b0a HYPOTHETICAL PROTEIN
MJ0783

(Methanocaldococcus
jannaschii) 		PF04199
(Cyclase) 		5 GLY A  98
GLU A 152
ILE A  10
CYH A  42
GLN A   7
 None
 1.49A 2dr2A-2b0aA:
undetectable		 2dr2A-2b0aA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF03497
(Anthrax_toxA) 		5 GLY A 335
GLY A 339
GLN A 336
GLU A 340
GLN A 337
 None
 1.43A 2dr2A-2colA:
undetectable		 2dr2A-2colA:
21.21
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
HEAVY CHAIN

(Daboia
siamensis) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		5 GLY A 127
THR A 114
GLU A 146
ILE A  52
PHE A  47
 None
None
GM6  A 700 ( 3.4A)
None
None
 1.37A 2dr2A-2e3xA:
undetectable		 2dr2A-2e3xA:
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.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 GLY A 217
GLY A 219
THR A 221
ILE A 211
GLN A 228
 None
 1.39A 2dr2A-2eh6A:
undetectable		 2dr2A-2eh6A:
24.41
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.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		5 GLY A 153
GLY A 151
GLU A  70
GLN A 198
ILE A 202
 None
None
CA  A 461 ( 3.3A)
CA  A 461 ( 3.0A)
None
 1.33A 2dr2A-2i4cA:
undetectable		 2dr2A-2i4cA:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		6 GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
PHE A 316
 PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
PG4  A 950 ( 4.8A)
 0.70A 2dr2A-2ip1A:
49.4		 2dr2A-2ip1A:
48.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		6 TYR A 159
GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
 None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
 0.61A 2dr2A-2ip1A:
49.4		 2dr2A-2ip1A:
48.96
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.
2j42 C2 TOXIN
COMPONENT-II

(Clostridium
botulinum) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		5 TYR A  26
GLY A  22
ILE A  38
GLN A 247
PHE A 241
 None
 1.43A 2dr2A-2j42A:
undetectable		 2dr2A-2j42A:
17.28
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.
2jls SERINE PROTEASE
SUBUNIT NS3

(Dengue virus) 		PF07652
(Flavi_DEAD) 		5 GLY A 420
GLY A 356
THR A 358
ILE A 332
GLN A 471
 None
 1.23A 2dr2A-2jlsA:
undetectable		 2dr2A-2jlsA:
24.31
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.
2l5p LIPOCALIN 12

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		5 GLY A 112
GLN A 113
THR A 108
ILE A 133
GLN A  40
 None
 1.33A 2dr2A-2l5pA:
undetectable		 2dr2A-2l5pA:
19.69
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.
2mpr MALTOPORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 GLY A  18
GLY A  15
THR A  14
GLU A 416
GLN A  21
 None
 1.29A 2dr2A-2mprA:
undetectable		 2dr2A-2mprA:
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.
2osy ENDOGLYCOCERAMIDASE
II

(Rhodococcus sp.) 		PF00150
(Cellulase) 		5 TYR A 369
GLY A  88
THR A  89
GLU A  83
ILE A 365
 None
 1.38A 2dr2A-2osyA:
2.2		 2dr2A-2osyA:
19.75
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.
2v28 PHENYLALANINE-4-HYDR
OXYLASE

(Colwellia
psychrerythraea) 		PF00351
(Biopterin_H) 		5 GLY A 126
GLY A 181
GLU A 167
ILE A 124
CYH A 128
 None
 1.30A 2dr2A-2v28A:
undetectable		 2dr2A-2v28A:
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.
2vec PIRIN-LIKE PROTEIN
YHAK

(Escherichia
coli) 		PF02678
(Pirin) 		5 TYR A  22
GLY A 205
GLY A 188
GLN A 184
PHE A  24
 None
 1.50A 2dr2A-2vecA:
undetectable		 2dr2A-2vecA:
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.
2vkt CTP SYNTHASE 2

(Homo sapiens) 		PF00117
(GATase) 		5 GLY A 401
GLY A 371
GLN A 403
GLN A 524
ILE A 512
 None
 1.42A 2dr2A-2vktA:
undetectable		 2dr2A-2vktA:
20.15
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 TYR A  15
GLY A 357
GLY A 361
ILE A  17
PHE A  22
 None
 1.44A 2dr2A-2wc7A:
undetectable		 2dr2A-2wc7A:
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.
2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF07652
(Flavi_DEAD) 		5 GLY A 420
GLY A 356
THR A 358
ILE A 332
GLN A 471
 None
 1.19A 2dr2A-2whxA:
undetectable		 2dr2A-2whxA:
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.
2xsz RUVB-LIKE 1

(Homo sapiens) 		PF06068
(TIP49) 		5 GLY A  89
GLY A  84
GLN A  56
THR A 274
ILE A 285
 ATP  A 501 (-3.2A)
None
None
None
ATP  A 501 (-3.7A)
 1.35A 2dr2A-2xszA:
undetectable		 2dr2A-2xszA:
20.67
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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 TYR A 717
GLY A 492
GLY A 661
GLU A 637
GLN A 665
 None
None
None
ALF  A1005 (-3.0A)
ALF  A1005 (-3.0A)
 1.48A 2dr2A-2xzoA:
undetectable		 2dr2A-2xzoA:
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		5 TYR A  10
GLY A 349
GLY A 353
ILE A  12
PHE A  17
 None
 1.39A 2dr2A-2z1kA:
undetectable		 2dr2A-2z1kA:
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.
2zhl GALECTIN-9

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 TYR A  10
GLY A  19
GLN A   7
ILE A 145
PHE A 147
 None
 1.45A 2dr2A-2zhlA:
undetectable		 2dr2A-2zhlA:
16.84
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.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		5 TYR A  19
GLY A  27
GLN A 209
GLN A 233
PHE A 229
 None
 1.01A 2dr2A-3f4kA:
2.7		 2dr2A-3f4kA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fky GLUTAMINE SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLY A  35
THR A  34
ILE A  74
CYH A  98
PHE A  59
 None
 1.35A 2dr2A-3fkyA:
undetectable		 2dr2A-3fkyA:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		5 TYR A  73
GLY A  75
GLY A  77
GLN A 108
GLN A 198
 None
 1.49A 2dr2A-3focA:
46.4		 2dr2A-3focA:
43.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		7 TYR A  73
GLY A  75
GLY A  77
GLN A 108
THR A 110
GLU A 113
GLN A 198
 None
 0.74A 2dr2A-3focA:
46.4		 2dr2A-3focA:
43.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		8 TYR A  73
GLY A  75
GLY A  77
GLN A 108
THR A 110
GLU A 113
ILE A 269
PHE A 279
 None
 0.56A 2dr2A-3focA:
46.4		 2dr2A-3focA:
43.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		5 TYR A  73
GLY A  75
ILE A 269
GLN A 275
PHE A 279
 None
 1.16A 2dr2A-3focA:
46.4		 2dr2A-3focA:
43.30
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.
3g06 SSPH2 (LEUCINE-RICH
REPEAT PROTEIN)

(Salmonella
enterica) 		PF14496
(NEL) 		5 GLY A 623
GLN A 590
ILE A 642
GLN A 649
PHE A 586
 None
 1.02A 2dr2A-3g06A:
undetectable		 2dr2A-3g06A:
19.03
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.
3h9j MCCB PROTEIN

(Escherichia
coli) 		PF00899
(ThiF) 		5 GLY A  21
GLY A  23
ILE A  38
GLN A  27
PHE A  71
 None
 1.16A 2dr2A-3h9jA:
undetectable		 2dr2A-3h9jA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hv0 TRYPTOPHANYL-TRNA
SYNTHETASE

(Cryptosporidium
parvum) 		PF00579
(tRNA-synt_1b) 		9 TYR A 278
GLY A 280
GLY A 282
GLN A 313
THR A 315
GLU A 318
GLN A 401
GLN A 430
PHE A 434
 TRP  A   1 (-4.2A)
TRP  A   1 (-3.3A)
TRP  A   1 (-3.7A)
TRP  A   1 (-4.5A)
TRP  A   1 (-4.0A)
TRP  A   1 (-2.5A)
TRP  A   1 (-3.2A)
TRP  A   1 (-3.4A)
TRP  A   1 (-4.8A)
 0.29A 2dr2A-3hv0A:
48.7		 2dr2A-3hv0A:
55.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF00579
(tRNA-synt_1b) 		7 TYR A  76
GLY A  78
GLY A  80
GLN A 111
THR A 113
GLN A 198
ILE A 222
 None
 0.41A 2dr2A-3i05A:
41.9		 2dr2A-3i05A:
54.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF00579
(tRNA-synt_1b) 		7 TYR A  76
GLY A  78
GLY A  80
GLN A 111
THR A 113
GLU A 116
GLN A 198
 None
 0.56A 2dr2A-3i05A:
41.9		 2dr2A-3i05A:
54.25
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.
3igx TRANSALDOLASE

(Francisella
tularensis) 		PF00923
(TAL_FSA) 		5 TYR A 122
GLY A  85
GLY A  20
THR A  35
ILE A 127
 None
 1.22A 2dr2A-3igxA:
undetectable		 2dr2A-3igxA:
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.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 5 GLY K 350
GLN K 317
ILE K 309
CYH K 345
GLN K 348
 None
 1.38A 2dr2A-3jblK:
undetectable		 2dr2A-3jblK:
17.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		9 TYR A  77
GLY A  79
GLY A  81
GLN A 111
THR A 113
GLU A 116
GLN A 198
ILE A 211
GLN A 217
 TYM  A 400 (-4.1A)
TYM  A 400 (-3.4A)
TYM  A 400 (-3.5A)
TYM  A 400 (-4.1A)
TYM  A 400 (-3.6A)
TYM  A 400 (-2.7A)
TYM  A 400 (-3.2A)
None
TYM  A 400 (-3.5A)
 0.27A 2dr2A-3jxeA:
43.4		 2dr2A-3jxeA:
43.96
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.
3l6d PUTATIVE
OXIDOREDUCTASE

(Pseudomonas
putida) 		PF03446
(NAD_binding_2) 		5 TYR A 100
GLY A 162
THR A 164
GLU A 158
ILE A  70
 None
 1.45A 2dr2A-3l6dA:
undetectable		 2dr2A-3l6dA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m16 TRANSALDOLASE

(Oleispira
antarctica) 		PF00923
(TAL_FSA) 		5 TYR A 126
GLY A  89
GLY A  23
THR A  38
ILE A 131
 None
 1.17A 2dr2A-3m16A:
undetectable		 2dr2A-3m16A:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nuz PUTATIVE ACETYL
XYLAN ESTERASE

(Bacteroides
fragilis) 		PF12715
(Abhydrolase_7) 		5 THR A 334
ILE A 140
CYH A 142
GLN A 174
PHE A 178
 None
 1.16A 2dr2A-3nuzA:
undetectable		 2dr2A-3nuzA:
21.85
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.
3r9w GTPASE ERA

(Aquifex
aeolicus) 		PF01926
(MMR_HSR1)
PF07650
(KH_2) 		5 TYR A   5
GLY A   4
GLY A 176
GLN A  53
PHE A 180
 None
 1.34A 2dr2A-3r9wA:
undetectable		 2dr2A-3r9wA:
20.10
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.
3ts7 GERANYLTRANSTRANSFER
ASE

(Methylococcus
capsulatus) 		PF00348
(polyprenyl_synt) 		5 GLY A 220
GLY A 187
GLN A 224
THR A 186
ILE A 296
 None
 1.27A 2dr2A-3ts7A:
undetectable		 2dr2A-3ts7A:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tze TRYPTOPHANYL-TRNA
SYNTHETASE

(Encephalitozoon
cuniculi) 		PF00579
(tRNA-synt_1b) 		8 TYR A  84
GLY A  86
GLY A  88
GLN A 119
THR A 121
GLU A 124
GLN A 232
PHE A 236
 TRP  A 386 (-3.8A)
TRP  A 386 (-3.3A)
TRP  A 386 ( 4.0A)
TRP  A 386 (-3.9A)
TRP  A 386 (-3.6A)
TRP  A 386 (-2.8A)
TRP  A 386 (-3.2A)
None
 0.56A 2dr2A-3tzeA:
48.6		 2dr2A-3tzeA:
42.75
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.
3uk6 RUVB-LIKE 2

(Homo sapiens) 		PF06068
(TIP49) 		5 GLY A  82
GLY A  77
GLN A  49
THR A 359
ILE A 370
 ADP  A1450 (-3.3A)
None
None
None
ADP  A1450 ( 4.0A)
 1.25A 2dr2A-3uk6A:
undetectable		 2dr2A-3uk6A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 GLY A 320
GLY A 325
GLN A 482
ILE A 316
PHE A 380
 None
 1.33A 2dr2A-3ummA:
undetectable		 2dr2A-3ummA:
14.61
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A1621
GLY A1313
GLN A1638
THR A1604
CYH A1626
 None
None
None
None
URE  A1902 (-3.6A)
 1.50A 2dr2A-3va7A:
3.3		 2dr2A-3va7A:
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C) 		5 TYR A 105
GLY A 416
GLY A 420
ILE A 107
PHE A 112
 None
 1.50A 2dr2A-3vgfA:
undetectable		 2dr2A-3vgfA:
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.
3zou FARNESYL
PYROPHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00348
(polyprenyl_synt) 		5 GLY A 215
GLY A 182
GLN A 219
THR A 181
ILE A 290
 None
 1.23A 2dr2A-3zouA:
undetectable		 2dr2A-3zouA:
21.16
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		5 TYR A 229
GLY A 569
GLY A 573
ILE A 231
PHE A 236
 None
 1.41A 2dr2A-4aeeA:
undetectable		 2dr2A-4aeeA:
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 TYR A 210
GLY A 535
GLY A 539
ILE A 212
PHE A 217
 None
 1.47A 2dr2A-4aefA:
undetectable		 2dr2A-4aefA:
21.14
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.
4bem F1FO ATPASE C2
SUBUNIT
F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii;
Acetobacterium
woodii) 		PF00137
(ATP-synt_C)
PF00137
(ATP-synt_C) 		5 GLY A  24
GLY A  65
THR J 164
GLU A  62
GLN A  29
 None
None
NA  A 201 ( 4.2A)
NA  A 201 (-2.7A)
NA  A 201 (-2.6A)
 1.31A 2dr2A-4bemA:
undetectable		 2dr2A-4bemA:
12.73
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.
4i8p AMINOALDEHYDE
DEHYDROGENASE 1

(Zea mays) 		PF00171
(Aldedh) 		5 GLY A 224
GLY A 218
GLU A 190
ILE A 248
PHE A 238
 NAD  A 601 (-3.6A)
None
NAD  A 601 ( 2.9A)
None
NAD  A 601 (-4.6A)
 1.34A 2dr2A-4i8pA:
undetectable		 2dr2A-4i8pA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY

(Escherichia
coli;
Danio rerio) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 TYR A 100
GLY A  70
GLY A 435
GLN A  73
GLN A 336
 None
 1.37A 2dr2A-4irlA:
undetectable		 2dr2A-4irlA:
22.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		8 TYR A 306
GLY A 308
GLY A 310
GLN A 341
GLU A 346
GLN A 429
GLN A 456
PHE A 460
 TYM  A 701 (-4.0A)
TYM  A 701 (-3.4A)
TYM  A 701 (-3.4A)
TYM  A 701 (-3.9A)
TYM  A 701 (-3.0A)
TYM  A 701 (-3.1A)
TYM  A 701 (-3.4A)
TYM  A 701 (-4.7A)
 0.24A 2dr2A-4j75A:
51.7		 2dr2A-4j75A:
49.28
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A3474
GLY A3363
THR A3476
GLU A3375
PHE A3383
 None
 1.24A 2dr2A-4kc5A:
undetectable		 2dr2A-4kc5A:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		5 GLY A  57
GLY A 323
GLN A  88
THR A  59
ILE A 279
 None
 1.33A 2dr2A-4qfuA:
undetectable		 2dr2A-4qfuA:
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.
4yjf D-AMINO-ACID OXIDASE

(Sus scrofa) 		PF01266
(DAO) 		5 TYR B 224
GLY B 313
GLY B 315
THR B 317
ILE B 223
 98B  B 404 (-3.3A)
FAD  B 401 ( 3.5A)
FAD  B 401 (-3.2A)
FAD  B 401 (-3.7A)
None
 1.20A 2dr2A-4yjfB:
2.3		 2dr2A-4yjfB:
20.25
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 GLY A 397
THR A 402
GLU A 404
GLN A 398
GLN A 395
 None
None
None
PNS  A1401 ( 4.3A)
None
 1.49A 2dr2A-4zxiA:
undetectable		 2dr2A-4zxiA:
14.85
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.
5a7x HIV-1 YU2 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 GLY A 451
GLY A 263
GLU A 482
GLN A 287
ILE A 270
 None
None
None
None
NAG  A 789 (-3.3A)
 1.47A 2dr2A-5a7xA:
undetectable		 2dr2A-5a7xA:
23.22
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.
5e9d A6-TCR VALPHA
A6-TCR VBETA

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		5 GLY D 103
THR D  85
GLN D  37
GLN E  37
PHE E  90
 None
 1.43A 2dr2A-5e9dD:
undetectable		 2dr2A-5e9dD:
15.36
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.
5fyg CYTOCHROME P450

(Marinobacter
hydrocarbonoclasticus) 		PF00067
(p450) 		5 GLY A 240
GLY A 234
GLU A 242
GLN A 456
PHE A  78
 None
 1.43A 2dr2A-5fygA:
undetectable		 2dr2A-5fygA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gru DIABODY PROTEIN
DIABODY PROTEIN

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 GLY L 109
THR L  93
GLN L  40
GLN H 172
PHE H 221
 GLY  L 109 ( 0.0A)
THR  L  93 ( 0.8A)
GLN  L  40 ( 0.6A)
GLN  H 172 ( 0.6A)
PHE  H 221 ( 1.3A)
 1.38A 2dr2A-5gruL:
undetectable		 2dr2A-5gruL:
19.53
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.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 GLY A  58
THR A 149
GLU A 147
ILE A  33
PHE A 120
 None
 1.49A 2dr2A-5hqbA:
undetectable		 2dr2A-5hqbA:
20.33
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A1621
GLY A1313
GLN A1638
THR A1604
CYH A1626
 None
 1.49A 2dr2A-5i8iA:
3.4		 2dr2A-5i8iA:
12.53
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 GLY A 795
GLY A 325
THR A 324
ILE A 696
CYH A 775
 None
ADP  A1001 (-3.7A)
ADP  A1001 (-4.1A)
None
None
 1.43A 2dr2A-5jcfA:
undetectable		 2dr2A-5jcfA:
19.21
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.
5nfr MALATE DEHYDROGENASE

(Plasmodium
falciparum) 		no annotation 5 TYR A 294
GLY A 172
GLY A 144
THR A 252
ILE A 298
 None
 1.22A 2dr2A-5nfrA:
undetectable		 2dr2A-5nfrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ocy ACPA E4 FAB FRAGMENT
- LIGHT CHAIN

(Homo sapiens) 		no annotation 5 GLY L  82
GLN L  80
ILE L  76
GLN L  38
PHE L  63
 None
 1.50A 2dr2A-5ocyL:
undetectable		 2dr2A-5ocyL:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		5 GLY A  84
GLY A  87
GLN A 445
THR A  90
ILE A  95
 None
 1.42A 2dr2A-5t81A:
undetectable		 2dr2A-5t81A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wtp OMPA FAMILY PROTEIN

(Capnocytophaga
gingivalis) 		no annotation 5 GLY A 387
GLY A 429
GLN A 403
ILE A 385
GLN A 426
 None
 1.18A 2dr2A-5wtpA:
undetectable		 2dr2A-5wtpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6btm ALTERNATIVE COMPLEX
III SUBUNIT A
ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae;
Flavobacterium
johnsoniae) 		no annotation
no annotation 		5 GLY A 440
GLU A 438
GLN B 869
GLN B 871
PHE B 754
 None
 1.49A 2dr2A-6btmA:
undetectable		 2dr2A-6btmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ez8 HUNTINGTIN
FACTOR VIII INTRON
22 PROTEIN

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 GLY B 163
GLU A2863
GLN B 166
CYH B 190
GLN B 191
 None
 1.47A 2dr2A-6ez8B:
undetectable		 2dr2A-6ez8B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 5 GLY A 651
THR A 671
GLU A 661
GLN A 675
ILE A 679
 None
 1.48A 2dr2A-6gh2A:
undetectable		 2dr2A-6gh2A:
undetectable