SIMILAR PATTERNS OF AMINO ACIDS FOR 5CFT_A_51GA204_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.
1wmr ISOPULLULANASE

(Aspergillus
niger) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		5 ASP A 372
ASP A 353
TYR A 378
ASP A 373
ASP A 326
 None
 1.30A 5cftA-1wmrA:
0.0		 5cftA-1wmrA:
15.10
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.
3t6w LACCASE

(Steccherinum
ochraceum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ASP A 132
ASP A 230
LEU A 137
ASP A 134
ILE A 423
 None
 1.44A 5cftA-3t6wA:
0.0		 5cftA-3t6wA:
14.17
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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		5 ASP A 229
ASP A 244
GLU A 155
ILE A 152
ASP A  89
 None
 1.20A 5cftA-4gp1A:
0.9		 5cftA-4gp1A:
21.20
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.
4hte NICKING ENZYME

(Staphylococcus
aureus) 		no annotation 5 ASP A 569
ASP A 566
LEU A 557
ASP A 563
ASP A 397
 CA  A 601 ( 3.7A)
None
None
None
None
 1.02A 5cftA-4hteA:
2.2		 5cftA-4hteA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Klebsiella
pneumoniae) 		PF10706
(Aminoglyc_resit) 		9 ASP A  44
ASP A  46
TYR A  74
LEU A  77
ASP A  86
GLU A  88
ILE A  99
ASP A 131
TYR A 134
 MG  A 202 (-2.5A)
MG  A 201 (-2.4A)
KAN  A 203 (-3.8A)
None
KAN  A 203 ( 3.2A)
KAN  A 203 ( 2.6A)
GOL  A 213 ( 4.3A)
KAN  A 203 ( 2.7A)
KAN  A 203 (-3.8A)
 0.27A 5cftA-4wqlA:
32.8		 5cftA-4wqlA:
95.68
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.
5mwa BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		no annotation 5 ASP A 185
ASP A   9
LEU A 190
ASP A 184
ILE A 151
 MG  A 301 (-2.5A)
MG  A 301 (-2.4A)
None
MG  A 301 ( 4.3A)
None
 1.39A 5cftA-5mwaA:
0.0		 5cftA-5mwaA:
21.14
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 ASP A 339
TYR A 291
LEU A 389
ILE A 293
TYR A 277
 None
 1.42A 5cftA-5um6A:
1.9		 5cftA-5um6A:
11.08
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.
5wro ENOLASE

(Drosophila
melanogaster) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ASP A 362
ASP A 387
LEU A 409
ASP A 386
GLU A 112
 None
None
None
CD  A 602 ( 3.5A)
None
 1.04A 5cftA-5wroA:
0.4		 5cftA-5wroA:
19.64