SIMILAR PATTERNS OF AMINO ACIDS FOR 6EP4_A_DMEA601_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.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		4 TYR A 125
GLU A 193
TYR A 427
HIS A 435
 None
 1.46A 6ep4A-1aqlA:
52.9		 6ep4A-1aqlA:
8.70
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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 TRP A  86
TYR A 133
GLU A 202
TYR A 341
HIS A 447
 None
 0.31A 6ep4A-1b41A:
57.9		 6ep4A-1b41A:
8.52
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 TRP A  86
TYR A 133
GLU A 202
TYR A 341
HIS A 447
 None
 0.34A 6ep4A-1c2oA:
57.5		 6ep4A-1c2oA:
8.74
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
TYR A 130
GLU A 199
TYR A 334
HIS A 440
 SAF  A1998 (-3.8A)
None
SAF  A1998 (-3.5A)
None
EMM  A1999 ( 3.8A)
 0.57A 6ep4A-1gqrA:
61.9		 6ep4A-1gqrA:
46.25
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 TRP A  83
TYR A 162
GLU A 237
TYR A 374
HIS A 480
 I40  A 997 (-3.2A)
None
I40  A 997 (-4.2A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
 0.50A 6ep4A-1qonA:
60.6		 6ep4A-1qonA:
7.88
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.
2cxi PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Pyrococcus
horikoshii) 		PF03483
(B3_4)
PF03484
(B5) 		4 TRP A  71
TYR A  82
GLU A 256
TYR A 348
 None
 1.39A 6ep4A-2cxiA:
undetectable		 6ep4A-2cxiA:
12.66
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.
3cfh GFP-LIKE
PHOTOSWITCHABLE
FLUORESCENT PROTEIN

(Anemonia
sulcata) 		PF01353
(GFP) 		4 TYR A  72
GLU A 195
TYR A 213
HIS A 197
 None
None
None
NRQ  A  65 ( 3.8A)
 1.29A 6ep4A-3cfhA:
undetectable		 6ep4A-3cfhA:
17.06
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 TRP A 352
TYR A 395
TYR A 331
HIS A 258
 OAN  A2000 ( 3.9A)
OAN  A2000 (-4.4A)
None
OAN  A2000 (-4.0A)
 1.16A 6ep4A-3sutA:
undetectable		 6ep4A-3sutA:
9.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		4 TRP A  64
TYR A 486
TYR A   2
HIS A  65
 None
 1.34A 6ep4A-4aefA:
undetectable		 6ep4A-4aefA:
7.50
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.
4b2g GH3-1 AUXIN
CONJUGATING ENZYME

(Vitis vinifera) 		PF03321
(GH3) 		4 TYR A 489
GLU A 535
TYR A 318
HIS A 485
 None
 1.34A 6ep4A-4b2gA:
undetectable		 6ep4A-4b2gA:
8.62
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.
4e5t MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Labrenzia
alexandrii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A  41
GLU A 265
TYR A 148
HIS A 215
 None
MG  A 501 (-2.7A)
None
MG  A 501 ( 4.5A)
 1.44A 6ep4A-4e5tA:
undetectable		 6ep4A-4e5tA:
13.70
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 TYR A 118
GLU A 111
TYR A 324
HIS A 319
 None
 1.34A 6ep4A-4el8A:
undetectable		 6ep4A-4el8A:
7.38
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
TYR A 130
GLU A 199
TYR A 334
HIS A 440
 None
 0.34A 6ep4A-4qwwA:
61.9		 6ep4A-4qwwA:
41.30
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.
4rph UDP-GALACTOPYRANOSE
MUTASE

(Mycobacterium
tuberculosis) 		no annotation 4 TYR B 161
GLU B 315
TYR B  87
HIS B 294
 GDU  B 402 (-3.7A)
FAD  B 401 ( 4.1A)
None
None
 1.24A 6ep4A-4rphB:
undetectable		 6ep4A-4rphB:
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.
4rph UDP-GALACTOPYRANOSE
MUTASE

(Mycobacterium
tuberculosis) 		no annotation 4 TYR B 328
GLU B 315
TYR B  87
HIS B 294
 GDU  B 402 ( 4.6A)
FAD  B 401 ( 4.1A)
None
None
 1.35A 6ep4A-4rphB:
undetectable		 6ep4A-4rphB:
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.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 TYR A 157
GLU A 313
TYR A  83
HIS A 290
 None
 1.20A 6ep4A-4xgkA:
undetectable		 6ep4A-4xgkA:
14.96
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.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 TYR A 326
GLU A 313
TYR A  83
HIS A 290
 40K  A 402 ( 3.9A)
None
None
None
 1.38A 6ep4A-4xgkA:
undetectable		 6ep4A-4xgkA:
14.96
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
TYR A 128
GLU A 197
TYR A 332
HIS A 438
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.27A 6ep4A-4xiiA:
71.9		 6ep4A-4xiiA:
98.75
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.
4zq8 ISOPRENOID SYNTHASE

(Streptomyces
lydicus) 		no annotation 4 TYR A 346
GLU A 267
TYR A 192
HIS A 274
 None
 1.16A 6ep4A-4zq8A:
undetectable		 6ep4A-4zq8A:
10.70
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.
5eqd UDP-GALACTOPYRANOSE
MUTASE

(Mycolicibacterium
smegmatis) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 TYR A 170
GLU A 324
TYR A  96
HIS A 303
 None
 1.27A 6ep4A-5eqdA:
undetectable		 6ep4A-5eqdA:
11.89
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.
5eqd UDP-GALACTOPYRANOSE
MUTASE

(Mycolicibacterium
smegmatis) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 TYR A 337
GLU A 324
TYR A  96
HIS A 303
 None
 1.35A 6ep4A-5eqdA:
undetectable		 6ep4A-5eqdA:
11.89
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		4 TRP A  28
GLU A 218
TYR A  38
HIS A 245
 None
 1.37A 6ep4A-5ey9A:
undetectable		 6ep4A-5ey9A:
9.20
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 4 TYR A1004
GLU A 978
TYR A 932
HIS A 839
 None
 1.27A 6ep4A-5n2gA:
undetectable		 6ep4A-5n2gA:
20.93
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 4 TYR A  62
GLU A  35
TYR A 121
HIS A 100
 None
 1.49A 6ep4A-5xmdA:
13.3		 6ep4A-5xmdA:
18.60
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TRP A 245
TYR A 291
GLU A 359
TYR A 493
HIS A 600
 SEB  A 360 ( 4.2A)
None
SEB  A 360 ( 3.3A)
None
SEB  A 360 ( 4.2A)
 0.61A 6ep4A-5ydjA:
66.2		 6ep4A-5ydjA:
24.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TRP A 245
TYR A 291
GLU A 359
TYR A 493
HIS A 600
 None
 0.55A 6ep4A-6arxA:
64.6		 6ep4A-6arxA:
40.00
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 4 TYR A 100
GLU A 543
TYR A 419
HIS A 246
 FAD  A 601 (-4.0A)
FAD  A 601 (-3.9A)
None
FAD  A 601 (-3.3A)
 1.31A 6ep4A-6f74A:
undetectable		 6ep4A-6f74A:
18.39