SIMILAR PATTERNS OF AMINO ACIDS FOR 4MWZ_B_SAMB301_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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		4 SER A 334
ASP A 231
MET A 246
ASP A 236
 SO4  A 461 ( 3.8A)
LI  A 460 (-3.1A)
None
None
 1.27A 4mwzB-3ij3A:
0.6		 4mwzB-3ij3A:
21.15
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		4 SER B 684
ASP B 762
MET B 806
ASP B 739
 None
 1.41A 4mwzB-3jb9B:
undetectable		 4mwzB-3jb9B:
14.35
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.
4cxk ARYLSULFATASE

(Pseudomonas
aeruginosa) 		PF00884
(Sulfatase) 		4 SER A  49
ASP A  63
MET A  57
ASP A 523
 None
 1.35A 4mwzB-4cxkA:
1.1		 4mwzB-4cxkA:
17.36
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		4 SER A 205
ASP A 254
MET A 259
ASP A 281
 SAH  A 501 (-2.7A)
SAH  A 501 (-2.6A)
SAH  A 501 (-3.9A)
SAH  A 501 (-3.5A)
 0.81A 4mwzB-4ineA:
38.1		 4mwzB-4ineA:
24.04
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		4 SER A 201
ASP A 250
MET A 255
ASP A 277
 SAH  A 701 (-2.7A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
 0.78A 4mwzB-4kriA:
38.2		 4mwzB-4kriA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		4 SER A  34
ASP A  82
MET A  87
ASP A 107
 SAM  A 301 (-2.4A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.5A)
 0.07A 4mwzB-4mwzA:
42.9		 4mwzB-4mwzA:
100.00
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.
4p0d TRYPSIN-RESISTANT
SURFACE T6 PROTEIN

(Streptococcus
pyogenes) 		PF16569
(GramPos_pilinBB) 		4 SER A 239
ASP A 227
MET A 229
ASP A 343
 None
 1.43A 4mwzB-4p0dA:
undetectable		 4mwzB-4p0dA:
21.68
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.
5b3h PROTEIN SCARECROW

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		4 SER A 383
ASP A 407
MET A 409
ASP A 497
 None
 1.35A 4mwzB-5b3hA:
9.3		 4mwzB-5b3hA:
19.01
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 SER A 164
ASP A 208
MET A 213
ASP A 235
 SAM  A 400 ( 4.3A)
SAM  A 400 (-2.8A)
SAM  A 400 (-4.3A)
SAM  A 400 (-3.4A)
 1.34A 4mwzB-5e72A:
14.2		 4mwzB-5e72A:
24.86
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 4 SER A 264
ASP A 312
MET A 317
ASP A 338
 SAH  A 703 (-2.6A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
 0.63A 4mwzB-5wp4A:
39.4		 4mwzB-5wp4A:
29.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 4 SER A 264
ASP A 312
MET A 317
ASP A 338
 SAH  A 501 (-2.6A)
SAH  A 501 (-2.8A)
SAH  A 501 (-4.0A)
SAH  A 501 (-3.4A)
 0.63A 4mwzB-5wp5A:
32.8		 4mwzB-5wp5A:
31.56