SIMILAR PATTERNS OF AMINO ACIDS FOR 2NYR_B_SVRB401_3

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.
1b7g PROTEIN
(GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE)

(Sulfolobus
solfataricus) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		5 ARG O  15
ARG O  46
ILE O  21
GLY O   8
VAL O 305
 None
 1.39A 2nyrB-1b7gO:
4.9		 2nyrB-1b7gO:
22.22
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.
1d6h CHALCONE SYNTHASE

(Medicago sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 309
HIS A 303
PHE A 215
GLY A 216
LEU A 343
 None
 0.94A 2nyrB-1d6hA:
undetectable		 2nyrB-1d6hA:
21.79
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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 ARG C 239
ILE C 402
HIS C 336
GLY A  90
LEU C 495
 HEM  A 605 (-4.3A)
None
HEM  A 605 (-3.3A)
HEM  A 605 (-3.5A)
None
 1.35A 2nyrB-1d7wC:
undetectable		 2nyrB-1d7wC:
20.89
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.
1ee0 2-PYRONE SYNTHASE

(Gerbera hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 314
HIS A 308
PHE A 220
GLY A 221
LEU A 348
 None
None
CAA  A 600 (-4.6A)
None
None
 0.95A 2nyrB-1ee0A:
undetectable		 2nyrB-1ee0A:
22.14
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.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 ILE A 151
GLY A  60
LEU A 161
TYR A 123
MET A 127
 None
SAH  A 400 (-3.3A)
None
None
None
 1.27A 2nyrB-1jqeA:
2.0		 2nyrB-1jqeA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C) 		5 TYR A 165
ARG D 750
ILE E 997
LEU E 942
VAL E 935
 None
 1.33A 2nyrB-1o7dA:
undetectable		 2nyrB-1o7dA:
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 TYR A 165
ILE E 997
GLY C 519
LEU E 939
VAL E 935
 None
 1.45A 2nyrB-1o7dA:
undetectable		 2nyrB-1o7dA:
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.
1tq5 PROTEIN YHHW

(Escherichia
coli) 		PF02678
(Pirin) 		5 ILE A  64
PHE A  54
GLY A  55
VAL A  73
TYR A 104
 None
 1.27A 2nyrB-1tq5A:
undetectable		 2nyrB-1tq5A:
20.86
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.
1uik ALPHA PRIME SUBUNIT
OF BETA-CONGLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		5 ILE A 419
PHE A 481
GLY A 482
ASN A 410
VAL A 396
 None
 1.48A 2nyrB-1uikA:
undetectable		 2nyrB-1uikA:
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.
1ukv GTP-BINDING PROTEIN
YPT1

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 TYR Y  78
ILE Y  84
GLY Y  98
VAL Y 119
TYR Y  88
 None
 1.45A 2nyrB-1ukvY:
4.0		 2nyrB-1ukvY:
20.83
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.
1yzn GTP-BINDING PROTEIN
YPT1

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 TYR A  78
ILE A  84
GLY A  98
VAL A 119
TYR A  88
 None
 1.40A 2nyrB-1yznA:
4.3		 2nyrB-1yznA:
22.22
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 ARG A 138
ILE A 144
HIS A 133
GLY A 113
VAL A 136
 None
 1.46A 2nyrB-1z7eA:
6.0		 2nyrB-1z7eA:
17.00
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ILE A 264
HIS A 253
PHE A 130
GLY A 131
MET A 367
 None
TEO  A1002 (-4.0A)
None
None
None
 1.42A 2nyrB-2h88A:
2.8		 2nyrB-2h88A:
19.26
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		5 ARG A 331
TYR A 404
ILE A 326
GLY A 342
TYR A 357
 None
 1.48A 2nyrB-2jb1A:
4.1		 2nyrB-2jb1A:
17.77
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.
2l26 UNCHARACTERIZED
PROTEIN
RV0899/MT0922

(Mycobacterium
tuberculosis) 		PF00691
(OmpA)
PF04972
(BON) 		5 ARG A 320
ILE A 223
ASN A 241
VAL A 281
TYR A 284
 None
 1.50A 2nyrB-2l26A:
undetectable		 2nyrB-2l26A:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 TYR A  75
ILE A  55
GLY A  33
LEU A  99
TYR A 128
 None
None
F6P  A 501 (-3.5A)
None
F6P  A 501 (-4.6A)
 1.41A 2nyrB-2r66A:
3.7		 2nyrB-2r66A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		5 TYR A 357
ILE A 395
GLY A 107
LEU A  55
VAL A 174
 None
 1.38A 2nyrB-2wxzA:
undetectable		 2nyrB-2wxzA:
19.70
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.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ARG A 488
ILE A 376
PHE A 261
GLY A 274
ASN A 296
 None
 1.41A 2nyrB-2x0sA:
undetectable		 2nyrB-2x0sA:
13.84
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ARG A1261
TYR A1277
HIS A1293
GLY A1299
ASN A1297
 None
 1.20A 2nyrB-2y23A:
undetectable		 2nyrB-2y23A:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 5 PHE X  11
GLY X 140
LEU X 149
VAL X  80
TYR X 193
 None
PO4  X2322 (-3.4A)
None
None
None
 1.44A 2nyrB-2z22X:
undetectable		 2nyrB-2z22X:
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.
2z8u TATA-BOX-BINDING
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00352
(TBP) 		5 PHE A 147
GLY A 148
ASN A 112
VAL A 134
TYR A 125
 None
 1.43A 2nyrB-2z8uA:
undetectable		 2nyrB-2z8uA:
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.
2zbk TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		5 TYR B  33
ARG B  30
GLY B 106
ASN B 375
LEU B 415
 None
 0.99A 2nyrB-2zbkB:
undetectable		 2nyrB-2zbkB:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3awk CHALCONE
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Huperzia
serrata) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 319
HIS A 313
PHE A 225
GLY A 226
LEU A 353
 None
None
GOL  A 501 (-4.3A)
None
None
 0.86A 2nyrB-3awkA:
undetectable		 2nyrB-3awkA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvz S-LAYER PROTEIN

(Clostridioides
difficile) 		PF12211
(LMWSLP_N) 		5 ILE A  34
PHE A  38
GLY A  41
VAL A 247
TYR A  80
 None
 1.17A 2nyrB-3cvzA:
undetectable		 2nyrB-3cvzA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 ARG A 381
ILE A 143
GLY A  74
LEU A 105
VAL A  52
 None
None
None
None
CL  A 396 ( 4.6A)
 1.45A 2nyrB-3gcfA:
undetectable		 2nyrB-3gcfA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i45 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 TYR A 240
ILE A  17
GLY A 155
ASN A 151
VAL A  85
 None
 1.17A 2nyrB-3i45A:
4.3		 2nyrB-3i45A:
22.19
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ILE B 419
GLY B 412
ASN B 415
LEU B 536
VAL B 454
 None
 1.44A 2nyrB-3igzB:
undetectable		 2nyrB-3igzB:
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.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ILE A 206
GLY A 106
ASN A 109
VAL A 357
TYR A 359
 None
 1.35A 2nyrB-3k92A:
2.8		 2nyrB-3k92A:
20.42
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ARG A 516
TYR A 527
PHE A 520
GLY A 407
LEU A 381
 None
 1.43A 2nyrB-3khkA:
2.4		 2nyrB-3khkA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 253
HIS A 234
PHE A 215
LEU A 207
VAL A 191
 None
 1.39A 2nyrB-3mwcA:
undetectable		 2nyrB-3mwcA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ARG A 533
ILE A 307
GLY A  14
VAL A 532
TYR A 531
 None
 1.24A 2nyrB-3ppcA:
undetectable		 2nyrB-3ppcA:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 225
GLY A 191
ASN A 189
VAL A  70
MET A  17
 None
 1.29A 2nyrB-3pv2A:
undetectable		 2nyrB-3pv2A:
19.55
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		5 ILE A 374
HIS A 373
PHE A 295
GLY A 293
LEU A 306
 None
 1.48A 2nyrB-3qkiA:
2.8		 2nyrB-3qkiA:
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.
3sbg PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF12134
(PRP8_domainIV) 		5 ILE A1954
GLY A1833
ASN A1839
LEU A1843
VAL A1935
 None
 1.45A 2nyrB-3sbgA:
undetectable		 2nyrB-3sbgA:
18.52
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 387
GLY A 311
ASN A 332
LEU A 424
VAL A 351
 None
 1.26A 2nyrB-3tqpA:
undetectable		 2nyrB-3tqpA:
22.20
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.
3tqr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Coxiella
burnetii) 		PF00551
(Formyl_trans_N) 		5 ILE A  55
GLY A  14
ASN A  40
LEU A  75
VAL A  88
 None
 1.28A 2nyrB-3tqrA:
4.0		 2nyrB-3tqrA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 TYR A1222
ILE A1192
HIS A1260
GLY A1197
ASN A 378
 None
None
CYG  A1135 ( 3.6A)
CYG  A1135 ( 3.8A)
None
 1.49A 2nyrB-3ummA:
3.3		 2nyrB-3ummA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vk5 MOEO5

(Streptomyces
viridosporus) 		PF01884
(PcrB) 		5 PHE A 160
GLY A 161
ASN A 204
VAL A 227
TYR A 201
 None
None
None
None
FPQ  A 900 (-3.8A)
 1.44A 2nyrB-3vk5A:
undetectable		 2nyrB-3vk5A:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a7w URIDYLATE KINASE

(Helicobacter
pylori) 		PF00696
(AA_kinase) 		5 PHE A 133
GLY A 134
ASN A  86
LEU A  32
VAL A 130
 None
 1.26A 2nyrB-4a7wA:
4.5		 2nyrB-4a7wA:
22.58
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.
4doi CHALCONE--FLAVONONE
ISOMERASE 1

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		5 ILE A 181
PHE A  26
GLY A  43
LEU A 165
VAL A 106
 None
None
None
None
NO3  A 301 (-4.8A)
 1.37A 2nyrB-4doiA:
undetectable		 2nyrB-4doiA:
24.08
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		5 ARG A 245
ASN A 136
VAL A 123
TYR A 127
MET A 170
 None
 1.09A 2nyrB-4e4jA:
undetectable		 2nyrB-4e4jA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		7 TYR A 102
ARG A 105
ILE A 142
HIS A 158
PHE A 223
GLY A 224
LEU A 232
 None
CNA  A 402 ( 4.8A)
CNA  A 402 (-4.7A)
CNA  A 402 (-4.3A)
None
None
None
 0.86A 2nyrB-4g1cA:
38.3		 2nyrB-4g1cA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		6 TYR A 102
ARG A 105
ILE A 142
PHE A 223
GLY A 224
ASN A 226
 None
CNA  A 402 ( 4.8A)
CNA  A 402 (-4.7A)
None
None
None
 0.91A 2nyrB-4g1cA:
38.3		 2nyrB-4g1cA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7f ENOLASE

(Trypanosoma
cruzi) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 240
PHE A 148
GLY A 396
LEU A 341
VAL A 145
 None
 1.23A 2nyrB-4g7fA:
undetectable		 2nyrB-4g7fA:
20.69
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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE ALPHA CHAIN
GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE BETA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		5 ARG A  64
ARG A  36
GLY B  46
LEU B 154
MET A 158
 None
 1.37A 2nyrB-4hstA:
undetectable		 2nyrB-4hstA:
26.32
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.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 PHE A 114
GLY A 112
ASN A 110
VAL A  63
TYR A  67
 None
 1.43A 2nyrB-4p08A:
undetectable		 2nyrB-4p08A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qgo DNA-ENTRY NUCLEASE
(COMPETENCE-SPECIFIC
NUCLEASE)

(Streptococcus
agalactiae) 		PF01223
(Endonuclease_NS) 		5 ARG A 215
TYR A 249
GLY A 130
LEU A 149
TYR A 214
 None
 1.30A 2nyrB-4qgoA:
undetectable		 2nyrB-4qgoA:
22.42
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.
4tm3 KTZI

(Kutzneria sp.
744) 		PF13434
(K_oxygenase) 		5 ILE A 415
PHE A  41
GLY A  18
LEU A 405
VAL A  28
 None
None
FAD  A 501 (-3.2A)
BR  A 505 ( 4.0A)
None
 1.36A 2nyrB-4tm3A:
2.1		 2nyrB-4tm3A:
23.54
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.
4trq NUCLEAR MRNA EXPORT
PROTEIN SAC3

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		5 ARG A 256
ILE A 290
PHE A 282
GLY A 281
LEU A 317
 SO4  A 601 (-3.0A)
None
None
None
None
 1.22A 2nyrB-4trqA:
undetectable		 2nyrB-4trqA:
19.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 ARG A  67
HIS A 116
PHE A 159
GLY A 160
LEU A 168
 None
 1.05A 2nyrB-4twiA:
21.8		 2nyrB-4twiA:
39.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 TYR A  64
ARG A  67
PHE A 159
GLY A 160
LEU A 168
 None
 0.78A 2nyrB-4twiA:
21.8		 2nyrB-4twiA:
39.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yjy CHALCONE SYNTHASE 1

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 312
HIS A 306
PHE A 218
GLY A 219
LEU A 346
 None
 1.00A 2nyrB-4yjyA:
undetectable		 2nyrB-4yjyA:
21.75
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.
5apg TSR3

(Vulcanisaeta
distributa) 		PF04034
(Ribo_biogen_C) 		5 ARG A  58
ILE A  43
PHE A 125
LEU A  96
TYR A 121
 None
 1.39A 2nyrB-5apgA:
undetectable		 2nyrB-5apgA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eqj TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
NON-CATALYTIC
SUBUNIT TRM6

(Saccharomyces
cerevisiae) 		PF04189
(Gcd10p) 		5 PHE A 256
GLY A 258
ASN A 286
VAL A 248
TYR A 249
 None
 1.15A 2nyrB-5eqjA:
3.5		 2nyrB-5eqjA:
19.36
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.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ILE A  18
HIS A  12
GLY A  67
LEU A  27
MET A 240
 None
 1.37A 2nyrB-5fkuA:
2.3		 2nyrB-5fkuA:
12.55
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.
5g5p NUCLEAR MRNA EXPORT
PROTEIN SAC3

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		5 ARG A 256
ILE A 290
PHE A 282
GLY A 281
LEU A 317
 None
 1.35A 2nyrB-5g5pA:
undetectable		 2nyrB-5g5pA:
14.77
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 TYR B 306
PHE B 189
GLY B 144
LEU B 119
VAL B 140
 None
 1.31A 2nyrB-5gq0B:
undetectable		 2nyrB-5gq0B:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i08 SPIKE GLYCOPROTEIN,
ENVELOPE
GLYCOPROTEIN CHIMERA

(Human
coronavirus
HKU1;
Human
immunodeficiency
virus 1) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		5 PHE A 202
GLY A 101
ASN A  99
VAL A 125
TYR A 235
 None
 1.39A 2nyrB-5i08A:
undetectable		 2nyrB-5i08A:
11.54
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.
5l3t NUCLEAR MRNA EXPORT
PROTEIN SAC3

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		5 ARG A 256
ILE A 290
PHE A 282
GLY A 281
LEU A 317
 None
 1.33A 2nyrB-5l3tA:
undetectable		 2nyrB-5l3tA:
12.84
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.
5m8b ALPHA-L-ARABINOFURAN
OSIDASE II

(Lactobacillus
brevis) 		PF04616
(Glyco_hydro_43) 		5 ARG A 209
PHE A 317
GLY A 318
VAL A 281
TYR A 282
 None
 1.18A 2nyrB-5m8bA:
undetectable		 2nyrB-5m8bA:
20.22
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.
5m8e ALPHA-N-ARABINOFURAN
OSIDASE

(Weissella
cibaria) 		PF04616
(Glyco_hydro_43) 		5 ARG A 207
PHE A 315
GLY A 316
VAL A 279
TYR A 280
 None
 1.20A 2nyrB-5m8eA:
undetectable		 2nyrB-5m8eA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 ARG A 405
ILE A 568
HIS A 502
GLY A 256
LEU A 661
 HEM  A 812 (-3.7A)
None
HEM  A 812 (-3.3A)
HEM  A 812 (-3.3A)
None
 1.30A 2nyrB-5mfaA:
undetectable		 2nyrB-5mfaA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ubp LEUCINE PERMEASE
TRANSCRIPTIONAL
REGULATOR

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		5 ARG A 256
ILE A 290
PHE A 282
GLY A 281
LEU A 317
 None
 1.30A 2nyrB-5ubpA:
undetectable		 2nyrB-5ubpA:
17.84
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.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS

(Burkholderia
pseudomallei) 		PF12849
(PBP_like_2) 		5 PHE A  31
GLY A 160
LEU A 169
VAL A 100
TYR A 213
 None
PO4  A 400 (-3.6A)
None
None
None
 1.41A 2nyrB-5wnnA:
undetectable		 2nyrB-5wnnA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y10 MEMBRANE
GLYCOPROTEIN
POLYPROTEIN

(SFTS
phlebovirus) 		PF07243
(Phlebovirus_G1) 		5 TYR C  44
ILE C  51
GLY C 312
VAL C 178
TYR C  89
 None
 1.39A 2nyrB-5y10C:
undetectable		 2nyrB-5y10C:
20.36
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 GLY A 481
ASN A 565
LEU A 680
VAL A 674
TYR A 664
 None
 1.41A 2nyrB-5ydjA:
undetectable		 2nyrB-5ydjA:
16.67
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 ARG A 405
ILE A 568
HIS A 502
GLY A 256
LEU A 661
 None
 1.27A 2nyrB-6azpA:
undetectable		 2nyrB-6azpA:
14.13
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.
6bka NITRONATE
MONOOXYGENASE

(Cyberlindnera
mrakii) 		no annotation 5 ARG A 123
TYR A 119
GLY A 199
ASN A 297
LEU A 315
 None
 1.42A 2nyrB-6bkaA:
undetectable		 2nyrB-6bkaA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c0e ISOCITRATE
DEHYDROGENASE

(Legionella
pneumophila) 		no annotation 5 TYR A 351
ILE A  43
HIS A 345
GLY A 325
MET A 368
 EE1  A 501 (-4.4A)
None
EE1  A 501 (-3.6A)
None
None
 1.46A 2nyrB-6c0eA:
undetectable		 2nyrB-6c0eA:
15.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 6 ARG A  67
ARG A 101
PHE A 219
GLY A 220
LEU A 228
MET A 255
 BJW  A 303 (-2.9A)
BJW  A 303 (-2.9A)
BJW  A 303 (-4.1A)
BJW  A 303 (-3.6A)
None
None
 1.36A 2nyrB-6enxA:
27.0		 2nyrB-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 6 HIS A 154
PHE A 219
GLY A 220
LEU A 228
TYR A 251
MET A 255
 BJW  A 303 (-3.8A)
BJW  A 303 (-4.1A)
BJW  A 303 (-3.6A)
None
BJW  A 303 ( 4.6A)
None
 1.26A 2nyrB-6enxA:
27.0		 2nyrB-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 8 TYR A  98
ARG A 101
ILE A 138
HIS A 154
PHE A 219
GLY A 220
LEU A 228
MET A 255
 BJW  A 303 (-4.4A)
BJW  A 303 (-2.9A)
BJW  A 303 (-3.9A)
BJW  A 303 (-3.8A)
BJW  A 303 (-4.1A)
BJW  A 303 (-3.6A)
None
None
 1.03A 2nyrB-6enxA:
27.0		 2nyrB-6enxA:
74.91