SIMILAR PATTERNS OF AMINO ACIDS FOR 1MAA_A_DMEA998_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
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) 		5 TRP A  86
GLY A 120
SER A 203
TYR A 337
HIS A 447
 None
 1.18A 1maaA-1b41A:
62.7		 1maaA-1b41A:
88.50
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) 		10 TYR A  72
ASP A  74
GLY A 122
TYR A 124
GLU A 202
SER A 203
TRP A 286
TYR A 337
TYR A 341
HIS A 447
 None
 1.13A 1maaA-1b41A:
62.7		 1maaA-1b41A:
88.50
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) 		12 TYR A  72
ASP A  74
TRP A  86
GLY A 121
TYR A 124
GLU A 202
SER A 203
TRP A 286
PHE A 297
TYR A 337
TYR A 341
HIS A 447
 None
 0.63A 1maaA-1b41A:
62.7		 1maaA-1b41A:
88.50
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) 		10 TYR A  72
ASP A  74
GLY A 122
TYR A 124
GLU A 202
SER A 203
TRP A 286
TYR A 337
TYR A 341
HIS A 447
 None
 0.94A 1maaA-1c2oA:
66.8		 1maaA-1c2oA:
99.81
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) 		12 TYR A  72
ASP A  74
TRP A  86
GLY A 121
TYR A 124
GLU A 202
SER A 203
TRP A 286
PHE A 297
TYR A 337
TYR A 341
HIS A 447
 None
 0.13A 1maaA-1c2oA:
66.8		 1maaA-1c2oA:
99.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		5 ASP A  66
GLY A 106
GLU A 188
SER A 189
HIS A 399
 None
 0.85A 1maaA-1c7jA:
43.3		 1maaA-1c7jA:
34.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 123
GLU A 208
SER A 209
PHE A 296
HIS A 449
 None
 1.41A 1maaA-1crlA:
37.0		 1maaA-1crlA:
32.31
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) 		7 GLY A 119
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 334
HIS A 440
 EMM  A1999 (-3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
None
None
EMM  A1999 ( 3.8A)
 1.30A 1maaA-1gqrA:
59.7		 1maaA-1gqrA:
58.56
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) 		9 TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
TRP A 279
PHE A 290
TYR A 334
HIS A 440
 SAF  A1998 (-3.8A)
SAF  A1998 ( 3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
None
EMM  A1999 (-4.1A)
None
EMM  A1999 ( 3.8A)
 0.72A 1maaA-1gqrA:
59.7		 1maaA-1gqrA:
58.56
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) 		8 TYR A  70
ASP A  72
GLY A 119
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 334
 None
None
EMM  A1999 (-3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
None
None
 1.16A 1maaA-1gqrA:
59.7		 1maaA-1gqrA:
58.56
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) 		10 TYR A  70
ASP A  72
TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
TRP A 279
PHE A 290
TYR A 334
 None
None
SAF  A1998 (-3.8A)
SAF  A1998 ( 3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
None
EMM  A1999 (-4.1A)
None
 0.56A 1maaA-1gqrA:
59.7		 1maaA-1gqrA:
58.56
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) 		5 GLY A 151
GLU A 237
SER A 238
TRP A 321
HIS A 480
 SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
SO4  A 593 (-4.1A)
 1.37A 1maaA-1qonA:
52.4		 1maaA-1qonA:
39.23
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) 		7 TRP A  83
GLY A 150
GLU A 237
SER A 238
PHE A 330
TYR A 374
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
 0.62A 1maaA-1qonA:
52.4		 1maaA-1qonA:
39.23
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) 		7 TRP A  83
GLY A 150
GLU A 237
SER A 238
TRP A 321
PHE A 330
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
I40  A 997 ( 4.1A)
SO4  A 593 (-4.1A)
 0.68A 1maaA-1qonA:
52.4		 1maaA-1qonA:
39.23
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) 		6 TRP A  83
GLY A 150
GLU A 237
TRP A 321
PHE A 330
TYR A 370
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
None
I40  A 997 ( 4.1A)
I40  A 997 (-3.9A)
 1.06A 1maaA-1qonA:
52.4		 1maaA-1qonA:
39.23
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 ASP A  55
GLY A  59
GLU A 225
TYR A 172
TYR A 239
 None
ADP  A 400 (-3.2A)
TMP  A 500 (-3.5A)
TMP  A 500 (-3.7A)
None
 1.24A 1maaA-1vtkA:
undetectable		 1maaA-1vtkA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aam HYPOTHETICAL PROTEIN
TM1410

(Thermotoga
maritima) 		PF03537
(Glyco_hydro_114) 		5 GLY A  65
TYR A  98
SER A  62
TYR A 141
TYR A 101
 UNL  A   1 ( 3.8A)
UNL  A   1 (-4.0A)
None
None
None
 1.47A 1maaA-2aamA:
undetectable		 1maaA-2aamA:
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.
3hdx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ASP A 144
TYR A  56
SER A 232
TYR A 208
TYR A 215
 None
EDO  A 609 (-4.0A)
EDO  A 608 ( 4.1A)
None
None
 1.34A 1maaA-3hdxA:
undetectable		 1maaA-3hdxA:
22.78
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.
3mv3 COATOMER SUBUNIT
EPSILON

(Saccharomyces
cerevisiae) 		PF04733
(Coatomer_E) 		5 ASP B  30
GLY B 120
TYR B  87
GLU B 117
TYR B   3
 None
 1.35A 1maaA-3mv3B:
undetectable		 1maaA-3mv3B:
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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		5 TYR B 268
GLY B 273
GLU B 280
SER B 277
PHE B 261
 None
None
HEM  B 802 (-4.4A)
HEM  B 802 ( 4.8A)
None
 1.47A 1maaA-3o0rB:
undetectable		 1maaA-3o0rB:
22.74
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 TYR A 619
ASP A 621
TYR A 626
GLU A 716
TRP A 702
 None
None
None
CA  A 900 (-4.6A)
None
 1.04A 1maaA-3sunA:
undetectable		 1maaA-3sunA:
20.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		5 GLY A 136
GLU A 217
SER A 218
PHE A 309
HIS A 471
 DPF  A 601 (-3.4A)
DPF  A 601 ( 4.2A)
DPF  A 601 (-1.5A)
None
DPF  A 601 (-4.2A)
 0.73A 1maaA-4fnmA:
38.2		 1maaA-4fnmA:
30.94
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.
4k35 GLYCOSIDE HYDROLASE
FAMILY 81
ENDO-BETA-1,3-GLUCAN
ASE

(Rhizomucor
miehei) 		PF03639
(Glyco_hydro_81) 		5 ASP A 512
GLY A 481
GLU A 557
TRP A 505
PHE A 483
 None
None
TRS  A 801 (-3.4A)
None
None
 1.24A 1maaA-4k35A:
undetectable		 1maaA-4k35A:
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.
4mlz PERIPLASMIC BINDING
PROTEIN

(Jonesia
denitrificans) 		PF01497
(Peripla_BP_2) 		5 ASP A 293
GLY A 108
GLU A  89
SER A  85
TRP A 296
 None
 1.49A 1maaA-4mlzA:
undetectable		 1maaA-4mlzA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 ASP A 300
GLY A  57
GLU A 149
SER A 150
HIS A 429
 ASP  A 300 ( 0.6A)
GLY  A  57 ( 0.0A)
GLU  A 149 ( 0.5A)
SER  A 150 ( 0.0A)
HIS  A 429 ( 1.0A)
 1.23A 1maaA-4mwtA:
11.4		 1maaA-4mwtA:
23.37
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) 		9 ASP A  72
GLY A 119
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 330
TYR A 334
HIS A 440
 None
 1.13A 1maaA-4qwwA:
59.0		 1maaA-4qwwA:
63.75
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) 		11 ASP A  72
TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
TRP A 279
PHE A 290
TYR A 330
TYR A 334
HIS A 440
 None
 0.58A 1maaA-4qwwA:
59.0		 1maaA-4qwwA:
63.75
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) 		5 TRP A  84
GLY A 117
SER A 200
TYR A 330
HIS A 440
 None
 1.09A 1maaA-4qwwA:
59.0		 1maaA-4qwwA:
63.75
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ASP A 936
GLU A 874
TRP A 999
TYR A 857
HIS A 860
 None
 1.20A 1maaA-4rcnA:
undetectable		 1maaA-4rcnA:
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.
4ui9 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 13
CELL DIVISION CYCLE
PROTEIN 23 HOMOLOG

(Homo sapiens) 		PF04049
(ANAPC8)
PF05839
(Apc13p)
PF13181
(TPR_8)
PF13414
(TPR_11) 		5 ASP M  22
GLU M  27
SER C 317
TYR C 341
TYR C 353
 None
 1.48A 1maaA-4ui9M:
undetectable		 1maaA-4ui9M:
8.64
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  90
SER A 164
PHE A 221
TYR A 212
HIS A 291
 None
 0.90A 1maaA-4wy8A:
17.5		 1maaA-4wy8A:
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  90
SER A 164
TRP A 220
TYR A 212
HIS A 291
 None
 1.39A 1maaA-4wy8A:
17.5		 1maaA-4wy8A:
19.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		7 ASP A  70
TRP A  82
GLY A 116
GLU A 197
SER A 198
TYR A 332
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.64A 1maaA-4xiiA:
57.0		 1maaA-4xiiA:
52.10
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.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B

(Roseobacter
denitrificans) 		PF00115
(COX1) 		5 TYR A 255
GLY A 260
GLU A 267
SER A 264
PHE A 248
 None
None
HEM  A 504 (-4.5A)
HEM  A 504 ( 4.1A)
None
 1.47A 1maaA-4xydA:
undetectable		 1maaA-4xydA:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 GLY A 125
GLU A 203
SER A 204
PHE A 286
HIS A 449
 None
 1.08A 1maaA-5fv4A:
45.5		 1maaA-5fv4A:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 GLY A 125
GLU A 203
SER A 204
PHE A 300
HIS A 449
 None
 0.67A 1maaA-5fv4A:
45.5		 1maaA-5fv4A:
35.54
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.
5i61 POTENTIAL
RNA-DEPENDENT RNA
POLYMERASE

(Human
picobirnavirus) 		no annotation 5 TYR B 218
ASP B 330
GLY B 325
PHE B 206
TYR B 302
 None
 1.04A 1maaA-5i61B:
undetectable		 1maaA-5i61B:
22.81
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.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 5 ASP A 390
GLY A 412
GLU A 434
SER A 426
PHE A 414
 None
 1.28A 1maaA-5m11A:
undetectable		 1maaA-5m11A:
22.89
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.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 TYR A 189
GLY A 186
PHE A 181
TYR A 131
HIS A 145
 None
 1.20A 1maaA-5vf3A:
undetectable		 1maaA-5vf3A:
22.70
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 8 ASP A 233
GLY A 280
TYR A 282
GLU A 359
TRP A 441
TYR A 489
TYR A 493
HIS A 600
 None
SEB  A 360 ( 3.0A)
None
SEB  A 360 ( 3.3A)
None
None
None
SEB  A 360 ( 4.2A)
 1.17A 1maaA-5ydjA:
55.1		 1maaA-5ydjA:
9.14
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 10 ASP A 233
TRP A 245
GLY A 279
TYR A 282
GLU A 359
TRP A 441
PHE A 449
TYR A 489
TYR A 493
HIS A 600
 None
SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.0A)
None
SEB  A 360 ( 3.3A)
None
None
None
None
SEB  A 360 ( 4.2A)
 0.60A 1maaA-5ydjA:
55.1		 1maaA-5ydjA:
9.14
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 11 ASP A 233
TRP A 245
GLY A 279
TYR A 282
GLU A 359
SER A 360
TRP A 441
PHE A 449
TYR A 489
TYR A 493
HIS A 600
 None
 0.64A 1maaA-6arxA:
55.1		 1maaA-6arxA:
9.77
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TRP A 245
GLY A 278
SER A 360
TYR A 489
HIS A 600
 None
 1.07A 1maaA-6arxA:
55.1		 1maaA-6arxA:
9.77