SIMILAR PATTERNS OF AMINO ACIDS FOR 3N2O_D_AG2D1002_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.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		6 LYS A  72
HIS A 213
GLY A 215
ARG A 303
TYR A 405
LEU A 409
 None
None
None
SO4  A 500 (-3.3A)
SO4  A 500 (-4.3A)
None
 0.82A 3n2oC-1hkwA:
27.8
3n2oD-1hkwA:
27.9		 3n2oC-1hkwA:
24.92
3n2oD-1hkwA:
24.92
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.
1qu4 ORNITHINE
DECARBOXYLASE

(Trypanosoma
brucei) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 LYS A  69
HIS A 197
GLY A 199
ARG A 277
TYR A 389
 PLP  A 600 (-1.5A)
PLP  A 600 (-4.2A)
None
PLP  A 600 (-4.5A)
PLP  A 600 (-4.7A)
 0.89A 3n2oC-1qu4A:
11.7
3n2oD-1qu4A:
24.5		 3n2oC-1qu4A:
22.86
3n2oD-1qu4A:
22.86
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) 		5 LYS A  48
GLY A 178
ARG A 255
TYR A 353
LEU A 357
 PLP  A2001 (-2.1A)
None
PLP  A2001 (-4.8A)
PLP  A2001 (-4.4A)
None
 0.98A 3n2oC-2nv9A:
11.7
3n2oD-2nv9A:
23.8		 3n2oC-2nv9A:
21.99
3n2oD-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.
2nv9 A207R PROTEIN,
ARGININE
DECARBOXYLASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 LYS A  48
HIS A 176
GLY A 178
TYR A 353
LEU A 357
 PLP  A2001 (-2.1A)
PLP  A2001 (-4.1A)
None
PLP  A2001 (-4.4A)
None
 0.84A 3n2oC-2nv9A:
11.7
3n2oD-2nv9A:
23.8		 3n2oC-2nv9A:
21.99
3n2oD-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 ASP A  84
SER A  80
GLY A   9
TYR A  88
LEU A  46
 None
 1.44A 3n2oC-2or8A:
undetectable
3n2oD-2or8A:
undetectable		 3n2oC-2or8A:
10.19
3n2oD-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
ARG A 282
TYR A 377
 None
 0.66A 3n2oC-2p3eA:
29.1
3n2oD-2p3eA:
28.9		 3n2oC-2p3eA:
24.02
3n2oD-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
ARG A 273
TYR A 368
 P3T  A 501 (-1.2A)
P3T  A 501 (-3.8A)
None
P3T  A 501 (-4.8A)
P3T  A 501 (-3.5A)
 0.48A 3n2oC-2pljA:
25.5
3n2oD-2pljA:
25.5		 3n2oC-2pljA:
22.63
3n2oD-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
ARG A 249
TYR A 343
 PLP  A 401 (-2.0A)
PLP  A 401 (-3.6A)
None
None
PLP  A 401 (-4.6A)
 0.60A 3n2oC-2yxxA:
26.7
3n2oD-2yxxA:
13.2		 3n2oC-2yxxA:
22.63
3n2oD-2yxxA:
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 ASP A 770
GLY A 530
ARG A 877
ASP A 876
TYR A 874
 None
 1.46A 3n2oC-3decA:
6.9
3n2oD-3decA:
4.4		 3n2oC-3decA:
21.90
3n2oD-3decA:
21.90
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) 		7 LYS A  86
HIS A 233
GLY A 235
ARG A 323
ASP A 452
TYR A 519
LEU A 523
 PLP  A 701 (-3.1A)
PLP  A 701 (-3.6A)
None
None
None
PLP  A 701 (-4.2A)
None
 0.63A 3n2oC-3nzpA:
38.2
3n2oD-3nzpA:
38.2		 3n2oC-3nzpA:
35.82
3n2oD-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) 		7 LYS A 127
HIS A 272
GLY A 274
ARG A 363
ASP A 497
TYR A 568
LEU A 572
 None
None
None
SO4  A 701 (-4.5A)
None
SO4  A 701 (-4.8A)
None
 0.84A 3n2oC-3nzqA:
43.3
3n2oD-3nzqA:
43.3		 3n2oC-3nzqA:
53.68
3n2oD-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.
3tlx ADENYLATE KINASE 2

(Plasmodium
falciparum) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ASP A  61
SER A  58
GLY A  42
ARG A 155
ASP A 190
 None
AMP  A 245 ( 4.9A)
ADP  A 246 (-3.5A)
ADP  A 246 (-3.2A)
None
 1.41A 3n2oC-3tlxA:
undetectable
3n2oD-3tlxA:
undetectable		 3n2oC-3tlxA:
17.28
3n2oD-3tlxA:
17.28
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 HIS A 200
GLY A 202
ARG A 279
TYR A 376
LEU A 380
 LLP  A  61 ( 3.6A)
None
None
LLP  A  61 ( 4.6A)
None
 0.64A 3n2oC-3vabA:
28.1
3n2oD-3vabA:
28.1		 3n2oC-3vabA:
24.25
3n2oD-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.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		5 SER A 213
HIS A  62
GLY A  30
ASP A 236
LEU A 193
 SO4  A 400 (-2.5A)
SO4  A 400 (-4.5A)
SO4  A 400 (-3.3A)
ADE  A 401 (-3.0A)
ADE  A 401 (-4.5A)
 1.15A 3n2oC-4m1eA:
undetectable
3n2oD-4m1eA:
undetectable		 3n2oC-4m1eA:
18.04
3n2oD-4m1eA:
18.04
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.
4oby ARGININE--TRNA
LIGASE

(Escherichia
coli) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 SER A 135
ARG A 324
ASP A 317
TYR A 335
LEU A 345
 None
ARG  A 601 ( 4.6A)
ARG  A 601 (-2.6A)
ARG  A 601 (-4.8A)
None
 1.38A 3n2oC-4obyA:
4.7
3n2oD-4obyA:
5.3		 3n2oC-4obyA:
23.06
3n2oD-4obyA:
23.06
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.
4ukd URIDYLMONOPHOSPHATE/
CYTIDYLMONOPHOSPHATE
KINASE

(Dictyostelium
discoideum) 		PF00406
(ADK) 		5 ASP A  39
SER A  36
GLY A  20
ARG A 131
ASP A 139
 None
MG  A 500 ( 4.5A)
ADP  A 195 (-3.7A)
BF2  A 501 ( 2.6A)
UDP  A 196 ( 4.6A)
 1.25A 3n2oC-4ukdA:
undetectable
3n2oD-4ukdA:
undetectable		 3n2oC-4ukdA:
14.88
3n2oD-4ukdA:
14.88
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.
5gne LEUCINE
AMINOPEPTIDASE

(Legionella
pneumophila) 		PF04389
(Peptidase_M28) 		5 ASP A 339
SER A 267
GLY A 263
ARG A  74
ASP A 226
 None
None
None
ZN  A 401 ( 3.7A)
ZN  A 402 ( 2.8A)
 1.34A 3n2oC-5gneA:
undetectable
3n2oD-5gneA:
undetectable		 3n2oC-5gneA:
21.35
3n2oD-5gneA:
21.35
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.
5x7n DIAMINOPIMELATE
DECARBOXYLASE

(Corynebacterium
glutamicum) 		no annotation 5 LYS A  75
HIS A 216
GLY A 218
ARG A 302
TYR A 404
 PLP  A 504 ( 1.2A)
PLP  A 504 (-3.5A)
None
LYS  A 505 ( 3.8A)
LYS  A 505 ( 3.7A)
 0.94A 3n2oC-5x7nA:
27.4
3n2oD-5x7nA:
27.5		 3n2oC-5x7nA:
8.24
3n2oD-5x7nA:
8.24