SIMILAR PATTERNS OF AMINO ACIDS FOR 3N2O_B_AG2B1002_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.
2nv9 A207R PROTEIN,
ARGININE
DECARBOXYLASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		6 LYS A  48
HIS A 176
GLY A 178
SER A 179
TYR A 353
LEU A 357
 PLP  A2001 (-2.1A)
PLP  A2001 (-4.1A)
None
PLP  A2001 (-2.6A)
PLP  A2001 (-4.4A)
None
 0.76A 3n2oA-2nv9A:
13.2
3n2oB-2nv9A:
9.5		 3n2oA-2nv9A:
21.99
3n2oB-2nv9A:
21.99
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.
2or8 HEPATITIS A VIRUS
CELLULAR RECEPTOR 1
HOMOLOG

(Mus musculus) 		PF07686
(V-set) 		5 GLY A   9
TYR A  88
LEU A  46
ASP A  84
SER A  80
 None
 1.47A 3n2oA-2or8A:
0.0
3n2oB-2or8A:
0.0		 3n2oA-2or8A:
10.19
3n2oB-2or8A:
10.19
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.
2p3e DIAMINOPIMELATE
DECARBOXYLASE

(Aquifex
aeolicus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 LYS A  65
HIS A 204
GLY A 206
SER A 207
TYR A 377
 None
 0.73A 3n2oA-2p3eA:
28.9
3n2oB-2p3eA:
29.0		 3n2oA-2p3eA:
24.02
3n2oB-2p3eA:
24.02
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.
2plj LYSINE/ORNITHINE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 LYS A  66
HIS A 194
GLY A 196
SER A 197
TYR A 368
 P3T  A 501 (-1.2A)
P3T  A 501 (-3.8A)
None
P3T  A 501 (-2.5A)
P3T  A 501 (-3.5A)
 0.49A 3n2oA-2pljA:
25.4
3n2oB-2pljA:
10.3		 3n2oA-2pljA:
22.63
3n2oB-2pljA:
22.63
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 LYS A  46
HIS A 179
GLY A 181
SER A 182
TYR A 343
 PLP  A 401 (-2.0A)
PLP  A 401 (-3.6A)
None
PLP  A 401 (-2.6A)
PLP  A 401 (-4.6A)
 0.73A 3n2oA-2yxxA:
14.5
3n2oB-2yxxA:
14.2		 3n2oA-2yxxA:
22.63
3n2oB-2yxxA:
22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 HIS A 233
GLY A 235
SER A 236
TYR A 519
LEU A 523
 PLP  A 701 (-3.6A)
None
PLP  A 701 (-2.9A)
PLP  A 701 (-4.2A)
None
 0.28A 3n2oA-3nzpA:
38.2
3n2oB-3nzpA:
38.2		 3n2oA-3nzpA:
35.82
3n2oB-3nzpA:
35.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 LYS A  86
HIS A 233
GLY A 235
TYR A 519
LEU A 523
 PLP  A 701 (-3.1A)
PLP  A 701 (-3.6A)
None
PLP  A 701 (-4.2A)
None
 0.68A 3n2oA-3nzpA:
38.2
3n2oB-3nzpA:
38.2		 3n2oA-3nzpA:
35.82
3n2oB-3nzpA:
35.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		6 LYS A 127
HIS A 272
GLY A 274
SER A 275
TYR A 568
LEU A 572
 None
None
None
SO4  A 701 (-2.6A)
SO4  A 701 (-4.8A)
None
 0.94A 3n2oA-3nzqA:
43.2
3n2oB-3nzqA:
43.4		 3n2oA-3nzqA:
53.68
3n2oB-3nzqA:
53.68
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 HIS A 200
GLY A 202
SER A 203
TYR A 376
LEU A 380
 LLP  A  61 ( 3.6A)
None
LLP  A  61 ( 2.5A)
LLP  A  61 ( 4.6A)
None
 0.79A 3n2oA-3vabA:
28.1
3n2oB-3vabA:
28.2		 3n2oA-3vabA:
24.25
3n2oB-3vabA:
24.25
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.
4m2j AMINOTRANSFERASE

(Streptomyces
lavendulae) 		PF00155
(Aminotran_1_2) 		5 GLY A  90
SER A  92
TYR A 116
LEU A  14
SER A 224
 PLP  A 401 (-3.6A)
PLP  A 401 (-2.6A)
PLP  A 401 (-3.9A)
None
PLP  A 401 (-2.8A)
 1.44A 3n2oA-4m2jA:
0.8
3n2oB-4m2jA:
undetectable		 3n2oA-4m2jA:
20.91
3n2oB-4m2jA:
20.91
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 232
SER A  13
TYR A 342
LEU A 345
SER A  78
 None
 1.30A 3n2oA-4xoxA:
undetectable
3n2oB-4xoxA:
0.2		 3n2oA-4xoxA:
20.60
3n2oB-4xoxA:
20.60
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 GLY A 237
SER A 238
TYR A 400
LEU A  47
ASP A 232
 None
 1.47A 3n2oA-5u4hA:
undetectable
3n2oB-5u4hA:
undetectable		 3n2oA-5u4hA:
24.96
3n2oB-5u4hA:
24.96