SIMILAR PATTERNS OF AMINO ACIDS FOR 5E2I_A_DMEA605_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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 TYR A 112
ASP A 419
TYR A 115
PHE A 426
 None
 1.45A 5e2iA-1b2hA:
undetectable		 5e2iA-1b2hA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 TYR A  72
ASP A  74
TYR A 124
TRP A 286
 None
 0.59A 5e2iA-1b41A:
59.3		 5e2iA-1b41A:
57.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 TYR A  72
ASP A  74
TYR A 124
TYR A 341
 None
 0.70A 5e2iA-1b41A:
59.3		 5e2iA-1b41A:
57.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 TYR A  72
ASP A  74
TYR A 124
TRP A 286
TYR A 341
 None
 0.54A 5e2iA-1c2oA:
59.3		 5e2iA-1c2oA:
58.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		6 TYR A  70
ASP A  72
TYR A 121
TRP A 279
PHE A 330
TYR A 334
 None
None
None
None
SAF  A1998 (-3.1A)
None
 0.21A 5e2iA-1gqrA:
67.4		 5e2iA-1gqrA:
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.
1hw2 FATTY ACID
METABOLISM REGULATOR
PROTEIN

(Escherichia
coli) 		PF00392
(GntR)
PF07840
(FadR_C) 		4 ASP A 145
TYR A 179
PHE A 192
TYR A 193
 None
 1.45A 5e2iA-1hw2A:
undetectable		 5e2iA-1hw2A:
19.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 ASP A 375
TYR A  73
PHE A 330
TYR A 324
 None
None
I40  A 997 ( 4.1A)
None
 1.18A 5e2iA-1qonA:
60.6		 5e2iA-1qonA:
37.42
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		4 TYR A 568
ASP A 569
TYR A 536
TRP A 581
 None
 1.42A 5e2iA-2wghA:
undetectable		 5e2iA-2wghA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzo TRANSFORMING GROWTH
FACTOR BETA
REGULATOR 1

(Homo sapiens) 		PF05964
(FYRN)
PF05965
(FYRC) 		4 ASP A 207
TYR A 317
PHE A 296
TYR A 212
 None
None
GOL  A1326 (-4.8A)
GOL  A1326 ( 4.6A)
 1.41A 5e2iA-2wzoA:
undetectable		 5e2iA-2wzoA:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11)
PF14710
(Nitr_red_alph_N)
PF14711
(Nitr_red_bet_C) 		4 TYR B 108
ASP A1103
PHE A 773
TYR A 101
 None
None
MD1  A1245 (-3.8A)
None
 1.03A 5e2iA-3egwB:
undetectable		 5e2iA-3egwB:
21.24
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.
3gs6 BETA-HEXOSAMINIDASE

(Vibrio cholerae) 		PF00933
(Glyco_hydro_3) 		4 TYR A 210
ASP A 179
TYR A 213
TRP A 224
 None
 1.30A 5e2iA-3gs6A:
undetectable		 5e2iA-3gs6A:
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.
3nre ALDOSE 1-EPIMERASE

(Escherichia
coli) 		PF01263
(Aldose_epim) 		4 TYR A 105
ASP A  85
TRP A  91
PHE A  53
 None
 1.31A 5e2iA-3nreA:
undetectable		 5e2iA-3nreA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		4 ASP A 199
TYR A 142
PHE A 281
TYR A 277
 None
 1.30A 5e2iA-3pmkA:
1.1		 5e2iA-3pmkA:
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.
3qz6 HPCH/HPAI ALDOLASE

(Desulfitobacterium
hafniense) 		PF03328
(HpcH_HpaI) 		4 TYR A 191
TYR A 194
TRP A 221
PHE A 211
 None
 1.30A 5e2iA-3qz6A:
undetectable		 5e2iA-3qz6A:
18.95
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TYR A 619
ASP A 621
TYR A 626
TRP A 702
 None
 0.95A 5e2iA-3sunA:
undetectable		 5e2iA-3sunA:
20.35
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.
3vqr PUTATIVE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF01266
(DAO) 		4 TYR A 167
ASP A 385
TYR A 166
TYR A  21
 None
 1.40A 5e2iA-3vqrA:
undetectable		 5e2iA-3vqrA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zgq INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 5

(Homo sapiens) 		PF07719
(TPR_2)
PF13181
(TPR_8)
PF13374
(TPR_10)
PF13424
(TPR_12) 		4 ASP A 189
TYR A 156
PHE A 220
TYR A 185
 None
 1.41A 5e2iA-3zgqA:
undetectable		 5e2iA-3zgqA:
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.
4atw ALPHA-L-ARABINOFURAN
OSIDASE DOMAIN
PROTEIN

(Thermotoga
maritima) 		PF06964
(Alpha-L-AF_C) 		4 TYR A 174
ASP A 213
PHE A 236
TYR A 234
 None
 1.45A 5e2iA-4atwA:
undetectable		 5e2iA-4atwA:
22.41
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.
4edw TANEZUMAB FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H 100
ASP H 101
TYR H 100
PHE H  27
 None
 1.35A 5e2iA-4edwH:
undetectable		 5e2iA-4edwH:
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.
4lb0 UNCHARACTERIZED
PROTEIN

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		4 TYR A 227
ASP A 251
TYR A 177
PHE A 288
 None
ACT  A 401 (-3.2A)
None
None
 1.44A 5e2iA-4lb0A:
undetectable		 5e2iA-4lb0A:
20.19
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.
4p9u FATTY ACID
METABOLISM REGULATOR
PROTEIN

(Vibrio cholerae) 		no annotation 4 ASP E 185
TYR E 219
PHE E 232
TYR E 233
 None
 1.42A 5e2iA-4p9uE:
undetectable		 5e2iA-4p9uE:
21.28
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.
4q2h PROLINE RACEMASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF05544
(Pro_racemase) 		4 TYR A 227
ASP A 251
TYR A 177
PHE A 288
 None
CSO  A 255 (-3.5A)
CSO  A 255 ( 4.8A)
CSO  A 255 ( 4.7A)
 1.41A 5e2iA-4q2hA:
undetectable		 5e2iA-4q2hA:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		4 ASP A  72
TYR A 121
TRP A 279
TYR A 334
 None
 0.61A 5e2iA-4qwwA:
63.9		 5e2iA-4qwwA:
65.79
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.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		4 TYR A 207
ASP A 165
TYR A 204
TYR A 349
 None
TRS  A 501 (-3.1A)
None
TRS  A 501 (-4.3A)
 1.16A 5e2iA-4wvaA:
undetectable		 5e2iA-4wvaA:
21.69
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.
4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		4 ASP A 204
TYR A 214
PHE A 276
TYR A 306
 None
 1.36A 5e2iA-4xnvA:
undetectable		 5e2iA-4xnvA:
21.25
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		4 TYR A 146
ASP A 147
TYR A 316
TYR A 120
 None
 1.28A 5e2iA-4y4vA:
undetectable		 5e2iA-4y4vA:
22.02
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.
5a2t COAT PROTEIN

(Bamboo mosaic
virus) 		PF00286
(Flexi_CP) 		4 ASP A 194
TYR A 176
PHE A 142
TYR A 187
 None
 1.45A 5e2iA-5a2tA:
undetectable		 5e2iA-5a2tA:
18.05
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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		4 TYR A 139
ASP A 101
TYR A 136
PHE A 106
 None
 1.38A 5e2iA-5cm6A:
undetectable		 5e2iA-5cm6A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dv5 GNTR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Vibrio
alginolyticus) 		PF00392
(GntR)
PF07840
(FadR_C) 		4 ASP A 185
TYR A 219
PHE A 232
TYR A 233
 PKZ  A 301 ( 4.3A)
PKZ  A 301 (-3.7A)
None
None
 1.47A 5e2iA-5dv5A:
undetectable		 5e2iA-5dv5A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e04 NUCLEOPROTEIN

(Andes
orthohantavirus) 		PF00846
(Hanta_nucleocap) 		4 ASP A 376
TYR A 383
PHE A 246
TYR A 264
 None
 1.37A 5e2iA-5e04A:
undetectable		 5e2iA-5e04A:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fjp O-SUCCINYLBENZOATE
SYNTHASE

(Amycolatopsis
sp.) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 157
TYR A 152
PHE A  19
TYR A 323
 None
None
NPQ  A1369 (-3.8A)
NPQ  A1369 (-4.3A)
 1.08A 5e2iA-5fjpA:
1.5		 5e2iA-5fjpA:
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 TYR A 871
TYR A 563
TRP A 875
PHE A 907
 None
 1.32A 5e2iA-5jm0A:
undetectable		 5e2iA-5jm0A:
19.94
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP A 523
TYR A 488
PHE A 559
TYR A 562
 None
 1.49A 5e2iA-5mqpA:
undetectable		 5e2iA-5mqpA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A 488
ASP A 523
PHE A 559
TYR A 562
 None
 1.00A 5e2iA-5mqpA:
undetectable		 5e2iA-5mqpA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oie -

(-) 		no annotation 4 TYR A 225
ASP A 182
TYR A 222
TYR A 375
 None
SER  A 507 (-3.3A)
None
None
 1.14A 5e2iA-5oieA:
undetectable		 5e2iA-5oieA:
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 TYR A 568
ASP A 569
TYR A 536
TRP A 581
 None
 1.44A 5e2iA-5tusA:
undetectable		 5e2iA-5tusA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 TYR C 180
ASP C 181
TYR B1073
PHE C 191
 None
 1.47A 5e2iA-5xogC:
undetectable		 5e2iA-5xogC:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 ASP A 233
TYR A 282
TRP A 441
TYR A 493
 None
 0.45A 5e2iA-5ydjA:
65.5		 5e2iA-5ydjA:
12.22
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 ASP A 233
TYR A 282
TRP A 441
TYR A 493
 None
 0.60A 5e2iA-6arxA:
64.5		 5e2iA-6arxA:
13.20
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.
6guo -

(-) 		no annotation 4 TYR A  30
ASP A  27
TYR A  90
TYR A 103
 None
 1.38A 5e2iA-6guoA:
13.2		 5e2iA-6guoA:
undetectable