SIMILAR PATTERNS OF AMINO ACIDS FOR 3M0W_D_P77D203_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.
1dys ENDOGLUCANASE

(Humicola
insolens) 		PF01341
(Glyco_hydro_6) 		5 GLU A 137
LEU A 136
ASP A 180
ASP A  92
SER A  99
 None
 1.19A 3m0wA-1dysA:
undetectable
3m0wB-1dysA:
undetectable
3m0wC-1dysA:
undetectable
3m0wD-1dysA:
undetectable		 3m0wA-1dysA:
16.23
3m0wB-1dysA:
16.23
3m0wC-1dysA:
16.23
3m0wD-1dysA:
16.23
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 SER A 227
PHE A 126
GLU A 112
LEU A 115
ASP A 122
 None
 1.42A 3m0wA-1htqA:
undetectable
3m0wB-1htqA:
undetectable
3m0wC-1htqA:
undetectable
3m0wD-1htqA:
undetectable		 3m0wA-1htqA:
11.67
3m0wB-1htqA:
11.67
3m0wC-1htqA:
11.67
3m0wD-1htqA:
11.67
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 GLU A  39
LEU A 219
ASP A  42
ASP A 443
SER A 446
 FAD  A 803 (-2.9A)
None
None
None
None
 1.44A 3m0wA-1yy5A:
undetectable
3m0wB-1yy5A:
undetectable
3m0wC-1yy5A:
undetectable
3m0wD-1yy5A:
undetectable		 3m0wA-1yy5A:
11.02
3m0wB-1yy5A:
11.02
3m0wC-1yy5A:
11.02
3m0wD-1yy5A:
11.02
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.
3cc8 PUTATIVE
METHYLTRANSFERASE

(Bacillus cereus) 		PF13489
(Methyltransf_23) 		5 LEU A 154
ASP A 155
PHE A 218
ASP A 100
SER A 128
 None
NI  A 231 (-4.2A)
None
None
None
 1.45A 3m0wA-3cc8A:
undetectable
3m0wB-3cc8A:
undetectable
3m0wC-3cc8A:
undetectable
3m0wD-3cc8A:
undetectable		 3m0wA-3cc8A:
19.02
3m0wB-3cc8A:
19.02
3m0wC-3cc8A:
19.02
3m0wD-3cc8A:
19.02
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.
3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE

(Pseudomonas
putida) 		PF00180
(Iso_dh) 		5 SER X 268
PHE X 281
GLU X 282
ASP X 250
SER X 253
 None
None
NAI  X 401 ( 3.2A)
NAI  X 401 ( 4.5A)
None
 1.32A 3m0wA-3fmxX:
0.6
3m0wB-3fmxX:
undetectable
3m0wC-3fmxX:
undetectable
3m0wD-3fmxX:
undetectable		 3m0wA-3fmxX:
13.41
3m0wB-3fmxX:
13.41
3m0wC-3fmxX:
13.41
3m0wD-3fmxX:
13.41
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 PHE A  18
LEU A  49
ASP A  97
PHE A 352
ASP A 316
 None
None
None
None
GOL  A1548 (-3.5A)
 1.18A 3m0wA-4aieA:
undetectable
3m0wB-4aieA:
undetectable
3m0wC-4aieA:
undetectable
3m0wD-4aieA:
undetectable		 3m0wA-4aieA:
11.71
3m0wB-4aieA:
11.71
3m0wC-4aieA:
11.71
3m0wD-4aieA:
11.71
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 107
GLU A 192
LEU A 342
ASP A 234
ASP A  72
 None
 1.50A 3m0wA-4jb6A:
0.0
3m0wB-4jb6A:
0.0
3m0wC-4jb6A:
undetectable
3m0wD-4jb6A:
0.0		 3m0wA-4jb6A:
13.52
3m0wB-4jb6A:
13.52
3m0wC-4jb6A:
13.52
3m0wD-4jb6A:
13.52
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 SER D 107
GLU D 192
LEU D 343
ASP D 234
ASP D  72
 None
 1.47A 3m0wA-4jrmD:
undetectable
3m0wB-4jrmD:
undetectable
3m0wC-4jrmD:
undetectable
3m0wD-4jrmD:
undetectable		 3m0wA-4jrmD:
11.11
3m0wB-4jrmD:
11.11
3m0wC-4jrmD:
11.11
3m0wD-4jrmD:
11.11
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.
4u8t ZYRO0G01672P

(Zygosaccharomyces
rouxii) 		PF04146
(YTH) 		5 CYH A 236
PHE A 235
LEU A 188
ASP A 297
SER A 202
 None
None
None
C  O   1 ( 4.8A)
None
 1.16A 3m0wA-4u8tA:
undetectable
3m0wB-4u8tA:
undetectable
3m0wC-4u8tA:
undetectable
3m0wD-4u8tA:
undetectable		 3m0wA-4u8tA:
20.12
3m0wB-4u8tA:
20.12
3m0wC-4u8tA:
20.12
3m0wD-4u8tA:
20.12
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		5 PHE A 572
ASP A 593
PHE A 611
ASP A  57
SER A  56
 None
None
None
None
C8E  A 702 ( 4.9A)
 1.41A 3m0wA-5ivaA:
undetectable
3m0wB-5ivaA:
undetectable
3m0wC-5ivaA:
undetectable
3m0wD-5ivaA:
undetectable		 3m0wA-5ivaA:
11.73
3m0wB-5ivaA:
11.73
3m0wC-5ivaA:
11.73
3m0wD-5ivaA:
11.73
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.
5yf0 -

(-) 		no annotation 5 SER A 237
PHE A 240
LEU A 253
PHE A  73
SER A 231
 None
None
None
None
SAM  A 505 (-4.4A)
 1.37A 3m0wA-5yf0A:
undetectable
3m0wB-5yf0A:
undetectable
3m0wC-5yf0A:
undetectable
3m0wD-5yf0A:
undetectable		 3m0wA-5yf0A:
undetectable
3m0wB-5yf0A:
undetectable
3m0wC-5yf0A:
undetectable
3m0wD-5yf0A:
undetectable