SIMILAR PATTERNS OF AMINO ACIDS FOR 1ACJ_A_THAA999_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 GLY A 122
TYR A 341
TRP A 439
HIS A 447
GLY A 448
 None
 1.09A 1acjA-1b41A:
58.9		 1acjA-1b41A:
57.67
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
TRP A 439
HIS A 447
GLY A 448
 None
 0.99A 1acjA-1b41A:
58.9		 1acjA-1b41A:
57.67
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) 		7 TRP A  86
GLY A 121
GLU A 202
TYR A 341
TRP A 439
HIS A 447
GLY A 448
 None
 0.71A 1acjA-1b41A:
58.9		 1acjA-1b41A:
57.67
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 TRP A  86
GLY A 120
TRP A 439
HIS A 447
GLY A 448
 None
 0.94A 1acjA-1c2oA:
58.9		 1acjA-1c2oA:
58.78
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) 		7 TRP A  86
GLY A 121
GLU A 202
TYR A 341
TRP A 439
HIS A 447
GLY A 448
 None
 0.49A 1acjA-1c2oA:
58.9		 1acjA-1c2oA:
58.78
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		5 GLY A 219
GLU A 225
ILE A 118
HIS A 173
GLY A 172
 None
 1.41A 1acjA-1e19A:
undetectable		 1acjA-1e19A:
21.89
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.
1ego GLUTAREDOXIN

(Escherichia
coli) 		PF00462
(Glutaredoxin) 		5 GLY A  53
GLU A  57
PHE A  63
ILE A  62
GLY A  71
 None
 0.98A 1acjA-1egoA:
undetectable		 1acjA-1egoA:
10.02
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) 		5 GLY A 119
TYR A 334
TRP A 432
ILE A 439
HIS A 440
 EMM  A1999 (-3.5A)
None
None
None
EMM  A1999 ( 3.8A)
 1.24A 1acjA-1gqrA:
67.0		 1acjA-1gqrA:
100.00
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 TRP A  84
GLU A 199
PHE A 330
TYR A 334
HIS A 440
GLY A 441
 SAF  A1998 (-3.8A)
SAF  A1998 (-3.5A)
SAF  A1998 (-3.1A)
None
EMM  A1999 ( 3.8A)
SAF  A1998 ( 4.6A)
 1.38A 1acjA-1gqrA:
67.0		 1acjA-1gqrA:
100.00
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) 		5 TRP A  84
GLU A 443
TRP A 432
ILE A 439
GLY A 441
 SAF  A1998 (-3.8A)
None
None
None
SAF  A1998 ( 4.6A)
 1.41A 1acjA-1gqrA:
67.0		 1acjA-1gqrA:
100.00
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 TRP A  84
GLY A 117
TRP A 432
ILE A 439
HIS A 440
GLY A 441
 SAF  A1998 (-3.8A)
SAF  A1998 (-3.1A)
None
None
EMM  A1999 ( 3.8A)
SAF  A1998 ( 4.6A)
 1.03A 1acjA-1gqrA:
67.0		 1acjA-1gqrA:
100.00
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 TRP A  84
GLY A 118
GLU A 199
TYR A 334
TRP A 432
ILE A 439
HIS A 440
GLY A 441
 SAF  A1998 (-3.8A)
SAF  A1998 ( 3.5A)
SAF  A1998 (-3.5A)
None
None
None
EMM  A1999 ( 3.8A)
SAF  A1998 ( 4.6A)
 0.59A 1acjA-1gqrA:
67.0		 1acjA-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.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		5 GLY A 102
GLU A 229
ILE A 165
HIS A  56
GLY A 164
 None
 1.27A 1acjA-1j33A:
2.2		 1acjA-1j33A:
20.72
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 TRP A  83
GLY A 149
TRP A 472
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-4.0A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.93A 1acjA-1qonA:
60.0		 1acjA-1qonA:
37.93
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
TYR A 374
TRP A 472
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
I40  A 997 ( 3.9A)
I40  A 997 (-4.0A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.32A 1acjA-1qonA:
60.0		 1acjA-1qonA:
37.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 GLY A 191
GLU A 164
TYR A 323
ILE A 187
HIS A 199
 None
 1.24A 1acjA-1wn1A:
undetectable		 1acjA-1wn1A:
22.24
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.
1xny PROPIONYL-COA
CARBOXYLASE COMPLEX
B SUBUNIT

(Streptomyces
coelicolor) 		PF01039
(Carboxyl_trans) 		5 GLY A 220
GLU A 222
PHE A 204
HIS A 202
GLY A 226
 None
 1.41A 1acjA-1xnyA:
2.3		 1acjA-1xnyA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hw2 RIFAMPIN ADP-RIBOSYL
TRANSFERASE

(Mycolicibacterium
smegmatis) 		PF12120
(Arr-ms) 		5 TRP A 115
GLY A  60
GLU A  62
HIS A 118
GLY A 117
 None
RFP  A1200 (-3.4A)
None
None
None
 1.19A 1acjA-2hw2A:
undetectable		 1acjA-2hw2A:
14.10
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.
3ffu PROBABLE
PYROPHOSPHOHYDROLASE

(Bdellovibrio
bacteriovorus) 		PF00293
(NUDIX) 		5 GLY A  54
GLU A  51
TRP A 121
HIS A 116
GLY A  38
 GTP  A4033 ( 4.0A)
GTP  A4033 (-3.5A)
None
None
None
 1.39A 1acjA-3ffuA:
undetectable		 1acjA-3ffuA:
16.21
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.
3ljf IRON SUPEROXIDE
DISMUTASE

(Pseudoalteromonas
haloplanktis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 GLY A  85
TYR A   9
ILE A  18
HIS A  17
GLY A 177
 None
 1.13A 1acjA-3ljfA:
undetectable		 1acjA-3ljfA:
15.77
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.
3tgw V-TYPE ATP SYNTHASE
BETA CHAIN

(Methanosarcina
mazei) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 GLY A 136
PHE A 407
TYR A 375
ILE A 432
GLY A 429
 None
 1.48A 1acjA-3tgwA:
undetectable		 1acjA-3tgwA:
22.60
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 143
TYR A 107
ILE A 150
HIS A 134
GLY A 176
 None
None
None
ACT  A 501 (-4.0A)
None
 1.41A 1acjA-4a69A:
undetectable		 1acjA-4a69A:
23.19
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.
4ege DIPEPTIDASE PEPE

(Mycobacterium
ulcerans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 GLY A 206
GLU A 179
TYR A 339
ILE A 202
HIS A 214
 None
None
None
None
UNX  A 424 ( 3.2A)
 1.24A 1acjA-4egeA:
undetectable		 1acjA-4egeA:
21.39
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 GLY A 116
GLU A 244
ILE A 179
HIS A  69
GLY A 178
 None
 1.40A 1acjA-4hdsA:
3.2		 1acjA-4hdsA:
22.66
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
TRP A 432
HIS A 440
GLY A 441
 None
 1.07A 1acjA-4qwwA:
63.7		 1acjA-4qwwA:
65.55
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) 		7 TRP A  84
GLY A 118
GLU A 199
TYR A 334
TRP A 432
HIS A 440
GLY A 441
 None
 0.63A 1acjA-4qwwA:
63.7		 1acjA-4qwwA:
65.55
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.
4rgz XAA-PRO
AMINOPEPTIDASE

(Thermococcus
sibiricus) 		no annotation 5 GLY A 205
GLU A 176
TYR A 337
ILE A 201
HIS A 213
 None
 1.20A 1acjA-4rgzA:
undetectable		 1acjA-4rgzA:
21.33
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) 		5 TRP A  82
GLY A 115
TRP A 430
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
None
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 1.02A 1acjA-4xiiA:
65.2		 1acjA-4xiiA:
52.87
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 TRP A  82
GLY A 116
GLU A 197
TYR A 332
TRP A 430
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.8A)
None
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.35A 1acjA-4xiiA:
65.2		 1acjA-4xiiA:
52.87
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.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		5 GLY A 214
PHE A 128
TYR A 217
TRP A 192
GLY A 195
 None
 1.43A 1acjA-5i84A:
undetectable		 1acjA-5i84A:
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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		5 GLY A  96
TYR A 186
ILE A 361
HIS A 358
GLY A 357
 ZN  A 501 (-3.9A)
None
EDO  A 504 ( 4.2A)
None
MES  A 503 (-3.9A)
 1.29A 1acjA-5tp4A:
2.2		 1acjA-5tp4A:
19.16
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.
5v07 EXONUCLEASE 1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 GLY Z 223
PHE Z 275
TYR Z 217
ILE Z 276
GLY Z 274
 NA  Z 403 ( 4.4A)
None
None
None
None
 1.42A 1acjA-5v07Z:
undetectable		 1acjA-5v07Z:
21.31
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TRP A 245
GLY A 278
TRP A 592
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.5A)
None
SEB  A 360 ( 4.2A)
None
 0.91A 1acjA-5ydjA:
65.6		 1acjA-5ydjA:
12.11
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
GLY A 279
GLU A 359
TYR A 493
TRP A 592
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.3A)
None
None
SEB  A 360 ( 4.2A)
None
 0.51A 1acjA-5ydjA:
65.6		 1acjA-5ydjA:
12.11
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TRP A 245
GLY A 278
TRP A 592
HIS A 600
GLY A 601
 None
 0.99A 1acjA-6arxA:
65.3		 1acjA-6arxA:
13.53
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
GLY A 279
GLU A 359
TYR A 493
TRP A 592
HIS A 600
GLY A 601
 None
 0.44A 1acjA-6arxA:
65.3		 1acjA-6arxA:
13.53