SIMILAR PATTERNS OF AMINO ACIDS FOR 3M0W_A_P77A203_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 ASP A  92
SER A  99
GLU A 137
LEU A 136
ASP A 180
 None
 1.17A 3m0wA-1dysA:
undetectable
3m0wB-1dysA:
undetectable
3m0wI-1dysA:
undetectable
3m0wJ-1dysA:
undetectable		 3m0wA-1dysA:
16.23
3m0wB-1dysA:
16.23
3m0wI-1dysA:
16.23
3m0wJ-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 GLU A 112
LEU A 115
ASP A 122
SER A 227
PHE A 126
 None
 1.44A 3m0wA-1htqA:
undetectable
3m0wB-1htqA:
undetectable
3m0wI-1htqA:
undetectable
3m0wJ-1htqA:
undetectable		 3m0wA-1htqA:
11.67
3m0wB-1htqA:
11.67
3m0wI-1htqA:
11.67
3m0wJ-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 ASP A 443
SER A 446
GLU A  39
LEU A 219
ASP A  42
 None
None
FAD  A 803 (-2.9A)
None
None
 1.41A 3m0wA-1yy5A:
undetectable
3m0wB-1yy5A:
undetectable
3m0wI-1yy5A:
undetectable
3m0wJ-1yy5A:
undetectable		 3m0wA-1yy5A:
11.02
3m0wB-1yy5A:
11.02
3m0wI-1yy5A:
11.02
3m0wJ-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.
2qkd ZINC FINGER PROTEIN
ZPR1

(Mus musculus) 		PF03367
(zf-ZPR1) 		5 ASP A 121
SER A 122
LEU A 143
SER A 203
PHE A 204
 None
 1.43A 3m0wA-2qkdA:
undetectable
3m0wB-2qkdA:
undetectable
3m0wI-2qkdA:
undetectable
3m0wJ-2qkdA:
undetectable		 3m0wA-2qkdA:
12.88
3m0wB-2qkdA:
12.88
3m0wI-2qkdA:
12.88
3m0wJ-2qkdA:
12.88
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.
3cc8 PUTATIVE
METHYLTRANSFERASE

(Bacillus cereus) 		PF13489
(Methyltransf_23) 		5 ASP A 100
SER A 128
PHE A 218
LEU A 154
ASP A 155
 None
None
None
None
NI  A 231 (-4.2A)
 1.43A 3m0wA-3cc8A:
undetectable
3m0wB-3cc8A:
undetectable
3m0wI-3cc8A:
undetectable
3m0wJ-3cc8A:
undetectable		 3m0wA-3cc8A:
19.02
3m0wB-3cc8A:
19.02
3m0wI-3cc8A:
19.02
3m0wJ-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.
3eix HTSA PROTEIN

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		5 ASP A 147
SER A 124
ASP A 149
SER A 156
PHE A 157
 None
 1.26A 3m0wA-3eixA:
undetectable
3m0wB-3eixA:
0.5
3m0wI-3eixA:
0.5
3m0wJ-3eixA:
0.5		 3m0wA-3eixA:
17.29
3m0wB-3eixA:
17.29
3m0wI-3eixA:
17.29
3m0wJ-3eixA:
17.29
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 ASP X 250
SER X 253
GLU X 282
SER X 268
PHE X 281
 NAI  X 401 ( 4.5A)
None
NAI  X 401 ( 3.2A)
None
None
 1.29A 3m0wA-3fmxX:
0.6
3m0wB-3fmxX:
undetectable
3m0wI-3fmxX:
undetectable
3m0wJ-3fmxX:
undetectable		 3m0wA-3fmxX:
13.41
3m0wB-3fmxX:
13.41
3m0wI-3fmxX:
13.41
3m0wJ-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 ASP A 316
PHE A 352
LEU A  49
ASP A  97
PHE A  18
 GOL  A1548 (-3.5A)
None
None
None
None
 1.23A 3m0wA-4aieA:
undetectable
3m0wB-4aieA:
undetectable
3m0wI-4aieA:
undetectable
3m0wJ-4aieA:
undetectable		 3m0wA-4aieA:
11.71
3m0wB-4aieA:
11.71
3m0wI-4aieA:
11.71
3m0wJ-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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 ASP D  72
GLU D 192
LEU D 343
ASP D 234
SER D 107
 None
 1.49A 3m0wA-4jrmD:
undetectable
3m0wB-4jrmD:
undetectable
3m0wI-4jrmD:
undetectable
3m0wJ-4jrmD:
undetectable		 3m0wA-4jrmD:
11.11
3m0wB-4jrmD:
11.11
3m0wI-4jrmD:
11.11
3m0wJ-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 ASP A 297
SER A 202
LEU A 188
CYH A 236
PHE A 235
 C  O   1 ( 4.8A)
None
None
None
None
 1.15A 3m0wA-4u8tA:
undetectable
3m0wB-4u8tA:
undetectable
3m0wI-4u8tA:
undetectable
3m0wJ-4u8tA:
undetectable		 3m0wA-4u8tA:
20.12
3m0wB-4u8tA:
20.12
3m0wI-4u8tA:
20.12
3m0wJ-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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		5 SER A 732
GLU A 677
LEU A 756
SER A 717
CYH A 649
 None
 1.45A 3m0wA-5fwjA:
undetectable
3m0wB-5fwjA:
undetectable
3m0wI-5fwjA:
undetectable
3m0wJ-5fwjA:
undetectable		 3m0wA-5fwjA:
14.63
3m0wB-5fwjA:
14.63
3m0wI-5fwjA:
14.63
3m0wJ-5fwjA:
14.63
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		5 ASP A  57
SER A  56
PHE A 611
ASP A 593
PHE A 572
 None
C8E  A 702 ( 4.9A)
None
None
None
 1.37A 3m0wA-5ivaA:
undetectable
3m0wB-5ivaA:
undetectable
3m0wI-5ivaA:
undetectable
3m0wJ-5ivaA:
undetectable		 3m0wA-5ivaA:
11.73
3m0wB-5ivaA:
11.73
3m0wI-5ivaA:
11.73
3m0wJ-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 231
PHE A  73
LEU A 253
SER A 237
PHE A 240
 SAM  A 505 (-4.4A)
None
None
None
None
 1.45A 3m0wA-5yf0A:
undetectable
3m0wB-5yf0A:
undetectable
3m0wI-5yf0A:
undetectable
3m0wJ-5yf0A:
undetectable		 3m0wA-5yf0A:
undetectable
3m0wB-5yf0A:
undetectable
3m0wI-5yf0A:
undetectable
3m0wJ-5yf0A:
undetectable