SIMILAR PATTERNS OF AMINO ACIDS FOR 2XUD_A_DMEA1544_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) 		6 TYR A  72
TRP A  86
TYR A 124
TRP A 286
TYR A 341
HIS A 447
 None
 0.53A 2xudA-1b41A:
62.8		 2xudA-1b41A:
88.31
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) 		6 TYR A  72
TRP A  86
TYR A 124
TRP A 286
TYR A 341
HIS A 447
 None
 0.33A 2xudA-1c2oA:
63.6		 2xudA-1c2oA:
99.81
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.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 TRP A  37
TYR A  33
TRP A 208
TYR A 338
 None
 1.11A 2xudA-1gpmA:
1.0		 2xudA-1gpmA:
22.84
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 121
TRP A 279
TYR A 334
HIS A 440
 SAF  A1998 (-3.8A)
None
None
None
EMM  A1999 ( 3.8A)
 0.75A 2xudA-1gqrA:
59.8		 2xudA-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) 		5 TYR A  70
TRP A  84
TYR A 121
TRP A 279
TYR A 334
 None
SAF  A1998 (-3.8A)
None
None
None
 0.45A 2xudA-1gqrA:
59.8		 2xudA-1gqrA:
58.56
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.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		4 TYR A 288
TYR A 378
TYR A 264
HIS A 245
 None
 1.24A 2xudA-1qvbA:
0.7		 2xudA-1qvbA:
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.
2cw2 SUPEROXIDE DISMUTASE
1

(Perkinsus
marinus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 183
TRP A 164
TYR A 179
HIS A  35
 None
 1.34A 2xudA-2cw2A:
undetectable		 2xudA-2cw2A:
17.93
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.
2d0i DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 TYR A 118
TRP A 128
TRP A 277
HIS A 131
 None
 1.13A 2xudA-2d0iA:
0.0		 2xudA-2d0iA:
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.
2vwk DNA POLYMERASE

(Thermococcus
gorgonarius) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TYR A 731
TRP A 615
TYR A 732
TYR A 701
 None
 1.11A 2xudA-2vwkA:
undetectable		 2xudA-2vwkA:
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 TYR A 652
TRP A 714
TYR A 649
HIS A 607
 None
None
None
ZN  A 771 ( 3.4A)
 1.34A 2xudA-3dwbA:
undetectable		 2xudA-3dwbA:
21.19
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 TYR A 538
TRP A 604
TYR A 535
HIS A 493
 None
None
None
ZN  A1664 ( 3.4A)
 1.34A 2xudA-3zukA:
0.0		 2xudA-3zukA:
22.64
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 121
TRP A 279
TYR A 334
HIS A 440
 None
 0.50A 2xudA-4qwwA:
59.2		 2xudA-4qwwA:
64.02
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TRP A 245
TYR A 282
TRP A 441
TYR A 493
HIS A 600
 SEB  A 360 ( 4.2A)
None
None
None
SEB  A 360 ( 4.2A)
 0.61A 2xudA-5ydjA:
55.2		 2xudA-5ydjA:
12.28
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 4 TYR A 488
TYR A 631
TRP A 485
HIS A 614
 None
 1.19A 2xudA-5z0uA:
undetectable		 2xudA-5z0uA:
10.17
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TRP A 245
TYR A 282
TRP A 441
TYR A 493
HIS A 600
 None
 0.65A 2xudA-6arxA:
55.4		 2xudA-6arxA:
9.77