SIMILAR PATTERNS OF AMINO ACIDS FOR 3DEU_A_SALA305_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a3g BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF01063
(Aminotran_4) 		5 VAL A 280
THR A 281
ILE A 284
ILE A 225
SER A 255
 None
 1.05A 3deuA-1a3gA:
undetectable		 3deuA-1a3gA:
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.
1a4e CATALASE A

(Saccharomyces
cerevisiae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 VAL A 229
THR A 280
ILE A  89
ILE A  86
 None
 0.86A 3deuA-1a4eA:
0.8		 3deuA-1a4eA:
14.20
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.
1e6w SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00106
(adh_short) 		4 THR A 179
ILE A 182
ILE A 129
THR A 195
 None
 0.85A 3deuA-1e6wA:
0.0		 3deuA-1e6wA:
19.54
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.
1gyc LACCASE 2

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 VAL A 201
THR A 147
ILE A 203
SER A  33
 None
 0.74A 3deuA-1gycA:
undetectable		 3deuA-1gycA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j9m DD-TRANSPEPTIDASE

(Streptomyces
sp. K15) 		PF00768
(Peptidase_S11) 		4 THR A 199
ILE A 245
SER A 216
THR A 214
 NA  A 600 ( 4.5A)
None
CL  A 601 (-3.0A)
NA  A 600 (-3.9A)
 0.87A 3deuA-1j9mA:
0.0		 3deuA-1j9mA:
19.37
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.
1k5o CPI-17

(Sus scrofa) 		PF05361
(PP1_inhibitor) 		4 THR A  67
VAL A   3
ILE A  43
THR A  70
 None
 0.76A 3deuA-1k5oA:
undetectable		 3deuA-1k5oA:
19.30
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.
1lkf LEUKOCIDIN F SUBUNIT

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		4 THR A 244
VAL A  84
ILE A  59
ILE A  32
 None
 0.87A 3deuA-1lkfA:
undetectable		 3deuA-1lkfA:
13.87
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.
1lkt TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09008
(Head_binding) 		4 VAL A  49
THR A  84
ILE A  47
SER A  89
 None
 0.84A 3deuA-1lktA:
undetectable		 3deuA-1lktA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mkp PYST1

(Homo sapiens) 		PF00782
(DSPc) 		4 ILE A 330
ILE A 297
SER A 300
THR A 304
 None
 0.85A 3deuA-1mkpA:
undetectable		 3deuA-1mkpA:
20.53
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.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 THR A  93
VAL A  97
ILE A 104
ILE A 106
 None
 0.86A 3deuA-1ml4A:
undetectable		 3deuA-1ml4A:
21.86
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.
1n5d CARBONYL
REDUCTASE/20BETA-HYD
ROXYSTEROID
DEHYDROGENASE

(Sus scrofa) 		PF00106
(adh_short) 		4 THR A 192
VAL A 195
THR A 196
THR A 109
 None
 0.82A 3deuA-1n5dA:
undetectable		 3deuA-1n5dA:
17.96
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.
1pa4 PROBABLE
RIBOSOME-BINDING
FACTOR A

(Mycoplasma
pneumoniae) 		PF02033
(RBFA) 		5 VAL A  21
THR A  20
ILE A  17
ILE A  89
SER A  74
 None
 1.13A 3deuA-1pa4A:
undetectable		 3deuA-1pa4A:
25.00
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		4 VAL A 382
THR A 383
ILE A 386
ILE A 368
 None
 0.88A 3deuA-1qpgA:
0.0		 3deuA-1qpgA:
15.27
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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		4 THR A 179
ILE A 182
ILE A 129
THR A 195
 None
 0.87A 3deuA-1so8A:
undetectable		 3deuA-1so8A:
19.31
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.
1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Rattus
norvegicus) 		PF00903
(Glyoxalase) 		4 THR A 277
ILE A 322
ILE A 335
THR A 271
 None
 0.69A 3deuA-1sqiA:
undetectable		 3deuA-1sqiA:
17.56
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.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		4 THR A 281
ILE A 322
ILE A 335
THR A 275
 None
 0.70A 3deuA-1t47A:
undetectable		 3deuA-1t47A:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		4 VAL A 121
THR A 122
ILE A  17
ILE A 273
 None
 0.78A 3deuA-1tp7A:
undetectable		 3deuA-1tp7A:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vmi PUTATIVE PHOSPHATE
ACETYLTRANSFERASE

(Escherichia
coli) 		PF01515
(PTA_PTB) 		4 THR A 127
VAL A 130
ILE A 293
SER A 168
 GOL  A 344 (-4.3A)
None
None
GOL  A   1 (-3.4A)
 0.80A 3deuA-1vmiA:
undetectable		 3deuA-1vmiA:
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 THR B 317
VAL B 321
ILE B 204
ILE B 206
SER B 216
 None
 1.20A 3deuA-1w85B:
undetectable		 3deuA-1w85B:
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.
1wyp CALPONIN 1

(Homo sapiens) 		PF00307
(CH) 		5 VAL A  88
THR A  84
ILE A  83
ILE A  52
SER A  59
 None
 1.31A 3deuA-1wypA:
undetectable		 3deuA-1wypA:
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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 THR B 126
VAL B 282
ILE B 142
ILE B 314
SER B 313
 None
 1.29A 3deuA-1wytB:
undetectable		 3deuA-1wytB:
15.47
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.
1y5e MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Bacillus cereus) 		PF00994
(MoCF_biosynth) 		4 THR A  90
ILE A  91
ILE A 128
THR A  78
 None
 0.85A 3deuA-1y5eA:
undetectable		 3deuA-1y5eA:
23.20
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		4 VAL A 447
ILE A 406
ILE A 403
THR A 343
 None
 0.87A 3deuA-1ygpA:
undetectable		 3deuA-1ygpA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		4 THR A  53
ILE A  26
ILE A 292
THR A  48
 None
 0.82A 3deuA-1ym5A:
undetectable		 3deuA-1ym5A:
20.13
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.
2a8e HYPOTHETICAL PROTEIN
YKTB

(Bacillus
subtilis) 		PF06335
(DUF1054) 		4 THR A 206
VAL A 209
THR A 210
ILE A 109
 None
 0.41A 3deuA-2a8eA:
undetectable		 3deuA-2a8eA:
24.02
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.
2akl PHNA-LIKE PROTEIN
PA0128

(Pseudomonas
aeruginosa) 		PF03831
(PhnA)
PF08274
(PhnA_Zn_Ribbon) 		4 VAL A  82
ILE A  85
ILE A  94
SER A 108
 None
 0.87A 3deuA-2aklA:
undetectable		 3deuA-2aklA:
24.86
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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		4 VAL A 125
THR A 126
ILE A  49
THR A  25
 None
 0.78A 3deuA-2anpA:
undetectable		 3deuA-2anpA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b7n PROBABLE
NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Helicobacter
pylori) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 VAL A 251
ILE A 254
ILE A 238
SER A 242
 None
 0.81A 3deuA-2b7nA:
undetectable		 3deuA-2b7nA:
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		4 THR A  96
VAL A  99
ILE A  72
THR A  92
 None
 0.84A 3deuA-2bufA:
undetectable		 3deuA-2bufA:
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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		4 ILE A  66
ILE A  47
SER A  97
THR A 399
 None
 0.81A 3deuA-2g02A:
undetectable		 3deuA-2g02A:
17.94
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 VAL A 292
ILE A 369
ILE A 116
SER A 113
THR A 390
 None
 1.40A 3deuA-2g28A:
undetectable		 3deuA-2g28A:
11.17
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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 THR A 365
ILE A 377
ILE A 359
THR A 327
 None
 0.87A 3deuA-2ggqA:
undetectable		 3deuA-2ggqA:
16.41
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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 VAL A 235
ILE A 247
ILE A 265
SER A 269
 None
 0.83A 3deuA-2ggqA:
undetectable		 3deuA-2ggqA:
16.41
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.
2glw 92AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		no annotation 4 VAL A  62
ILE A  64
ILE A  39
THR A   9
 None
 0.88A 3deuA-2glwA:
undetectable		 3deuA-2glwA:
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		4 THR A 259
VAL A 261
ILE A 319
SER A 315
 None
 0.84A 3deuA-2i7xA:
undetectable		 3deuA-2i7xA:
12.61
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.
2jj4 ACETYLGLUTAMATE
KINASE

(Synechococcus
elongatus) 		PF00696
(AA_kinase) 		4 THR A  98
VAL A 101
ILE A  74
THR A  94
 None
None
NLG  A1292 (-4.8A)
None
 0.88A 3deuA-2jj4A:
undetectable		 3deuA-2jj4A:
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.
2oas 4-HYDROXYBUTYRATE
COENZYME A
TRANSFERASE

(Shewanella
oneidensis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 VAL A 384
THR A 385
ILE A 193
ILE A 214
 None
 0.86A 3deuA-2oasA:
undetectable		 3deuA-2oasA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oqc PENICILLIN V ACYLASE

(Bacillus
subtilis) 		PF02275
(CBAH) 		4 THR A 246
VAL A 249
THR A 250
ILE A 299
 None
 0.86A 3deuA-2oqcA:
undetectable		 3deuA-2oqcA:
20.13
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.
2qr7 RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		4 VAL A 527
THR A 526
ILE A 523
ILE A 545
 None
 0.84A 3deuA-2qr7A:
undetectable		 3deuA-2qr7A:
19.41
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.
2quy PENICILLIN ACYLASE

(Lysinibacillus
sphaericus) 		PF02275
(CBAH) 		4 THR A 246
VAL A 249
THR A 250
ILE A 299
 None
 0.84A 3deuA-2quyA:
undetectable		 3deuA-2quyA:
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.
2qv3 VACUOLATING
CYTOTOXIN

(Helicobacter
pylori) 		PF02691
(VacA) 		4 THR A 502
THR A 478
ILE A 476
THR A 505
 None
 0.82A 3deuA-2qv3A:
undetectable		 3deuA-2qv3A:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rds FE(II)/ALPHA-KETOGL
UTARATE DEPENDENT
HYDROXYLASE
1-DEOXYPENTALENIC
ACID 11-BETA
HYDROXYLASE

(Streptomyces
avermitilis) 		PF05721
(PhyH) 		4 THR A  96
VAL A  99
ILE A 217
ILE A 154
 None
 0.83A 3deuA-2rdsA:
undetectable		 3deuA-2rdsA:
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.
2rg2 CHOLOYLGLYCINE
HYDROLASE

(Clostridium
perfringens) 		PF02275
(CBAH) 		4 THR A  59
THR A  66
ILE A 133
ILE A 137
 EDO  A 335 ( 3.7A)
EDO  A 334 (-3.4A)
None
None
 0.79A 3deuA-2rg2A:
undetectable		 3deuA-2rg2A:
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 THR A 174
THR A 537
ILE A 464
ILE A 397
 None
 0.81A 3deuA-2vr5A:
undetectable		 3deuA-2vr5A:
11.00
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.
2vt1 SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAS

(Shigella
flexneri) 		PF01312
(Bac_export_2) 		4 VAL B 320
ILE B 277
ILE B 263
THR B 313
 None
 0.84A 3deuA-2vt1B:
undetectable		 3deuA-2vt1B:
17.16
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.
2wnt RIBOSOMAL PROTEIN S6
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 523
THR A 522
ILE A 519
ILE A 541
 None
 0.81A 3deuA-2wntA:
undetectable		 3deuA-2wntA:
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.
2wnx GLYCOSIDE HYDROLASE,
FAMILY 9

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		4 VAL A  15
ILE A  13
ILE A  48
THR A 111
 None
 0.87A 3deuA-2wnxA:
undetectable		 3deuA-2wnxA:
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 THR A 151
THR A 509
ILE A 436
ILE A 369
 None
 0.86A 3deuA-2wskA:
1.1		 3deuA-2wskA:
12.56
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.
2yvq CARBAMOYL-PHOSPHATE
SYNTHASE

(Homo sapiens) 		PF02142
(MGS) 		4 THR A1391
VAL A1408
ILE A1423
ILE A1452
 None
 0.75A 3deuA-2yvqA:
undetectable		 3deuA-2yvqA:
24.32
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.
3aja PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01083
(Cutinase) 		4 THR A 125
ILE A  81
ILE A 181
THR A 153
 None
 0.86A 3deuA-3ajaA:
undetectable		 3deuA-3ajaA:
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.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		4 VAL A 230
ILE A 240
ILE A 261
SER A 289
 None
 0.85A 3deuA-3b40A:
undetectable		 3deuA-3b40A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3beu TRYPSIN

(Streptomyces
griseus) 		PF00089
(Trypsin) 		4 THR A  54
ILE A 106
ILE A  64
SER A  34
 None
 0.80A 3deuA-3beuA:
undetectable		 3deuA-3beuA:
19.91
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.
3c01 SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAS

(Salmonella
enterica) 		PF01312
(Bac_export_2) 		4 VAL E 321
ILE E 278
ILE E 264
THR E 314
 None
 0.82A 3deuA-3c01E:
undetectable		 3deuA-3c01E:
17.26
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.
3c6q SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Thermotoga
maritima) 		no annotation 4 ILE B 277
ILE B 101
SER B 245
THR B 247
 None
 0.78A 3deuA-3c6qB:
undetectable		 3deuA-3c6qB:
16.98
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A3074
THR A3076
ILE A3064
ILE A3225
SER A3070
 ANP  A3400 (-4.1A)
None
None
None
ANP  A3400 ( 3.9A)
 1.39A 3deuA-3cmvA:
undetectable		 3deuA-3cmvA:
7.83
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.
3co8 ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 VAL A 200
THR A 165
ILE A 189
THR A 131
 None
 0.82A 3deuA-3co8A:
undetectable		 3deuA-3co8A:
19.07
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		4 VAL A 335
THR A 336
ILE A 339
ILE A 307
 None
 0.81A 3deuA-3dhuA:
undetectable		 3deuA-3dhuA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 VAL A 302
THR A 303
ILE A 329
ILE A 347
 None
 0.80A 3deuA-3e7wA:
undetectable		 3deuA-3e7wA:
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.
3eh7 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 THR A 391
VAL A 389
ILE A 316
ILE A 369
SER A 367
 None
 1.45A 3deuA-3eh7A:
undetectable		 3deuA-3eh7A:
18.33
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.
3fkq NTRC-LIKE TWO-DOMAIN
PROTEIN

([Eubacterium]
rectale) 		PF13614
(AAA_31) 		4 VAL A 268
THR A 130
ILE A 266
ILE A 298
 None
 0.88A 3deuA-3fkqA:
undetectable		 3deuA-3fkqA:
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.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		4 THR A 213
VAL A 216
ILE A 184
ILE A 432
 None
 0.70A 3deuA-3h0lA:
undetectable		 3deuA-3h0lA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ign DIGUANYLATE CYCLASE

(Marinobacter
hydrocarbonoclasticus) 		PF00990
(GGDEF) 		4 THR A 216
VAL A 219
THR A 220
ILE A 257
 None
 0.52A 3deuA-3ignA:
1.6		 3deuA-3ignA:
24.10
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.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		4 VAL A 155
THR A 154
ILE A 151
ILE A 116
 None
 0.76A 3deuA-3k9dA:
undetectable		 3deuA-3k9dA:
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.
3ll3 GLUCONATE KINASE

(Lactobacillus
acidophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 THR A  11
ILE A  50
ILE A 155
SER A  80
 None
 0.78A 3deuA-3ll3A:
2.4		 3deuA-3ll3A:
15.81
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.
3ml6 CHIMERIC COMPLEX
BETWEEN PROTEIN
DISHEVLLED2 HOMOLOG
DVL-2 AND CLATHRIN
ADAPTOR AP-2 COMPLEX
SUBUNIT MU

(Mus musculus;
Rattus
norvegicus) 		PF00610
(DEP)
PF00928
(Adap_comp_sub) 		4 VAL A1305
ILE A1324
SER A1387
THR A1433
 None
 0.82A 3deuA-3ml6A:
2.2		 3deuA-3ml6A:
18.51
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.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		4 VAL A 484
THR A 402
ILE A 482
ILE A 539
 None
 0.83A 3deuA-3muuA:
undetectable		 3deuA-3muuA:
12.37
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.
3mvg RIBOSOME
INACTIVATING TYPE 1
PROTEIN

(Iris x
hollandica) 		PF00161
(RIP) 		4 VAL A 172
THR A 173
ILE A 176
SER A  15
 None
None
None
GOL  A 285 (-4.2A)
 0.86A 3deuA-3mvgA:
undetectable		 3deuA-3mvgA:
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF16114
(Citrate_bind) 		4 THR A 412
ILE A 339
SER A 289
THR A 291
 None
 0.88A 3deuA-3mweA:
undetectable		 3deuA-3mweA:
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.
3pju CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL) 		4 THR A 621
VAL A 619
ILE A 587
ILE A 590
 None
 0.87A 3deuA-3pjuA:
undetectable		 3deuA-3pjuA:
23.75
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.
3pzu ENDOGLUCANASE

(Bacillus
subtilis) 		PF00150
(Cellulase) 		4 VAL A 289
THR A 256
ILE A 127
ILE A 163
 None
 0.84A 3deuA-3pzuA:
undetectable		 3deuA-3pzuA:
17.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpt TRANSCRIPTIONAL
REGULATOR SLYA

(Salmonella
enterica) 		PF01047
(MarR) 		4 THR A  32
VAL A  35
THR A  36
THR A  66
 None
 0.38A 3deuA-3qptA:
17.3		 3deuA-3qptA:
94.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpt TRANSCRIPTIONAL
REGULATOR SLYA

(Salmonella
enterica) 		PF01047
(MarR) 		5 VAL A  35
THR A  36
ILE A  56
ILE A  58
SER A  62
 None
 0.90A 3deuA-3qptA:
17.3		 3deuA-3qptA:
94.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpt TRANSCRIPTIONAL
REGULATOR SLYA

(Salmonella
enterica) 		PF01047
(MarR) 		5 VAL A  35
THR A  36
ILE A  56
SER A  62
THR A  66
 None
 0.99A 3deuA-3qptA:
17.3		 3deuA-3qptA:
94.16
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.
3qqc DNA-DIRECTED RNA
POLYMERASE SUBUNIT
B, DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A', DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Pyrococcus
furiosus) 		PF04560
(RNA_pol_Rpb2_7)
PF04997
(RNA_pol_Rpb1_1) 		4 VAL A 340
THR A 341
ILE A 344
THR A 224
 None
 0.82A 3deuA-3qqcA:
undetectable		 3deuA-3qqcA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ron TYPE-1AA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis) 		PF01338
(Bac_thur_toxin) 		4 THR A 140
VAL A 143
THR A 144
ILE A 116
 None
 0.79A 3deuA-3ronA:
undetectable		 3deuA-3ronA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s8d COENZYME A
TRANSFERASE

(Yersinia pestis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 THR A 399
THR A 367
ILE A 326
ILE A 379
SER A 377
 None
 1.47A 3deuA-3s8dA:
undetectable		 3deuA-3s8dA:
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.
3tqv NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Francisella
tularensis) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 VAL A 264
ILE A 267
ILE A 251
SER A 255
 None
 0.83A 3deuA-3tqvA:
undetectable		 3deuA-3tqvA:
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.
3v4d AMINOACRYLATE
PERACID REDUCTASE
RUTC

(Escherichia
coli) 		PF01042
(Ribonuc_L-PSP) 		4 THR A  52
VAL A  55
ILE A 120
ILE A  78
 None
 0.84A 3deuA-3v4dA:
undetectable		 3deuA-3v4dA:
22.54
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.
3vpx LEUCINE
DEHYDROGENASE

(Sporosarcina
psychrophila) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 VAL A 133
THR A 112
ILE A 103
THR A  43
 None
 0.84A 3deuA-3vpxA:
undetectable		 3deuA-3vpxA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zl8 UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 VAL A  54
THR A  53
ILE A  59
ILE A  47
 None
 0.73A 3deuA-3zl8A:
undetectable		 3deuA-3zl8A:
17.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aij TRANSCRIPTIONAL
REGULATOR SLYA

(Yersinia
pseudotuberculosis) 		PF01047
(MarR) 		5 THR A  32
VAL A  35
THR A  36
ILE A  56
THR A  66
 None
 0.80A 3deuA-4aijA:
18.1		 3deuA-4aijA:
63.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aij TRANSCRIPTIONAL
REGULATOR SLYA

(Yersinia
pseudotuberculosis) 		PF01047
(MarR) 		5 VAL A  35
THR A  36
ILE A  56
ILE A  58
SER A  62
 None
 0.96A 3deuA-4aijA:
18.1		 3deuA-4aijA:
63.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aij TRANSCRIPTIONAL
REGULATOR SLYA

(Yersinia
pseudotuberculosis) 		PF01047
(MarR) 		5 VAL A  35
THR A  36
ILE A  56
ILE A  58
THR A  66
 None
 0.97A 3deuA-4aijA:
18.1		 3deuA-4aijA:
63.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		4 THR A  19
VAL A  22
ILE A 108
THR A  31
 None
 0.84A 3deuA-4au7A:
undetectable		 3deuA-4au7A:
23.31
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 THR A 250
VAL A 252
THR A 253
ILE A 202
 None
 0.87A 3deuA-4b9yA:
undetectable		 3deuA-4b9yA:
10.83
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.
4cgs POLYMERASE SUBUNIT
PA

(Dhori
thogotovirus) 		no annotation 5 VAL A  42
THR A  41
ILE A  38
ILE A 151
SER A   8
 None
 1.07A 3deuA-4cgsA:
undetectable		 3deuA-4cgsA:
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.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 THR A 131
VAL A 134
THR A 135
ILE A 151
SER A 196
 None
 1.42A 3deuA-4cqlA:
undetectable		 3deuA-4cqlA:
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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		4 THR A 171
THR A 175
ILE A 162
THR A 118
 None
 0.86A 3deuA-4d9iA:
undetectable		 3deuA-4d9iA:
14.36
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.
4ea1 DEHYDROSQUALENE
SYNTHASE

(Staphylococcus
aureus) 		PF00494
(SQS_PSY) 		4 THR A 153
VAL A 156
ILE A 241
THR A 142
 None
 0.82A 3deuA-4ea1A:
undetectable		 3deuA-4ea1A:
19.39
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.
4ewl 1D-MYO-INOSITOL
2-ACETAMIDO-2-DEOXY-
ALPHA-D-GLUCOPYRANOS
IDE DEACETYLASE

(Mycobacterium
tuberculosis) 		PF02585
(PIG-L) 		4 THR A 150
VAL A 153
THR A 154
THR A 135
 None
 0.73A 3deuA-4ewlA:
undetectable		 3deuA-4ewlA:
17.73
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.
4gys ALLOPHANATE
HYDROLASE

(Granulibacter
bethesdensis) 		PF01425
(Amidase) 		5 THR A 208
VAL A 207
THR A 167
ILE A  77
SER A 152
 None
 1.38A 3deuA-4gysA:
0.5		 3deuA-4gysA:
16.28
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.
4ich TRANSCRIPTIONAL
REGULATOR

(Saccharomonospora
viridis) 		PF00440
(TetR_N)
PF13977
(TetR_C_6) 		4 VAL A 177
ILE A 278
ILE A 282
THR A 225
 None
 0.87A 3deuA-4ichA:
3.0		 3deuA-4ichA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jvw IG MU CHAIN C REGION
SECRETED FORM

(Mus musculus) 		PF07654
(C1-set) 		4 VAL A 476
THR A 517
ILE A 484
THR A 502
 None
 0.87A 3deuA-4jvwA:
undetectable		 3deuA-4jvwA:
20.13
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.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		4 THR A 273
VAL A 276
THR A 277
THR A 283
 None
 0.84A 3deuA-4ky0A:
0.7		 3deuA-4ky0A:
17.97
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.
4ln1 L-LACTATE
DEHYDROGENASE 1

(Bacillus cereus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 VAL A 243
THR A 244
ILE A 247
ILE A 117
 None
 0.87A 3deuA-4ln1A:
undetectable		 3deuA-4ln1A:
20.99
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.
4lur INTERPHOTORECEPTOR
RETINOID-BINDING
PROTEIN(IRBP)

(Danio rerio) 		PF03572
(Peptidase_S41)
PF11918
(Peptidase_S41_N) 		4 VAL A 275
ILE A 230
ILE A 205
THR A 211
 None
 0.88A 3deuA-4lurA:
undetectable		 3deuA-4lurA:
22.48
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.
4m29 BETA-XYLOSIDASE

(Caulobacter
vibrioides) 		PF01229
(Glyco_hydro_39) 		5 THR A  50
VAL A  51
ILE A  98
ILE A  59
SER A  32
 None
 1.44A 3deuA-4m29A:
undetectable		 3deuA-4m29A:
14.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 VAL A 279
THR A 280
ILE A 283
THR A 163
 None
 0.83A 3deuA-4qiwA:
undetectable		 3deuA-4qiwA:
12.88