SIMILAR PATTERNS OF AMINO ACIDS FOR 4WZM_A_ACTA503

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.
1bqb PROTEIN (AUREOLYSIN)

(Staphylococcus
aureus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 ASP A 140
ASP A 188
ASP A 182
ALA A 138
 CA  A 351 (-3.3A)
CA  A 352 ( 4.2A)
CA  A 351 ( 2.8A)
None
 1.42A 4wzmA-1bqbA:
0.1		 4wzmA-1bqbA:
20.73
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.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 ASP A 195
ASP A 213
ASP A 259
ALA A 151
 None
CA  A 779 (-2.9A)
CA  A 779 (-4.9A)
CA  A 779 ( 4.6A)
 1.47A 4wzmA-1k72A:
0.0		 4wzmA-1k72A:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rdr POLIOVIRUS 3D
POLYMERASE

(Enterovirus C) 		PF00680
(RdRP_1) 		4 ASP A 233
ASP A 358
ASP A 329
ALA A 357
 CA  A 501 (-3.3A)
None
CA  A 501 (-3.4A)
None
 1.45A 4wzmA-1rdrA:
25.8		 4wzmA-1rdrA:
33.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d7s RNA-DEPENDENT RNA
POLYMERASE

(Foot-and-mouth
disease virus) 		PF00680
(RdRP_1) 		4 ASP A 238
ASP A 240
ASP A 339
ALA A 367
 None
 0.54A 4wzmA-2d7sA:
56.2		 4wzmA-2d7sA:
99.58
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.
3a18 ALDOXIME DEHYDRATASE

(Rhodococcus
erythropolis) 		PF13816
(Dehydratase_hem) 		4 ASP A 225
ASP A 222
ASP A 151
ALA A 224
 None
 0.94A 4wzmA-3a18A:
0.3		 4wzmA-3a18A:
23.67
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE

(Actinomadura
kijaniata) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A 377
ASP A  93
ASP A  44
ALA A  94
 None
 1.42A 4wzmA-3m9vA:
0.9		 4wzmA-3m9vA:
21.83
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ASP A 228
ASP A 206
ASP A 688
ALA A 205
 MG  A1729 (-3.6A)
MG  A1729 (-3.5A)
MG  A1731 (-3.3A)
None
 1.43A 4wzmA-4av6A:
0.0		 4wzmA-4av6A:
20.63
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ASP A 228
ASP A 206
ASP A 692
ALA A 205
 MG  A1729 (-3.6A)
MG  A1729 (-3.5A)
MG  A1731 ( 2.4A)
None
 1.42A 4wzmA-4av6A:
0.0		 4wzmA-4av6A:
20.63
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 ASP A 307
ASP A 305
ASP A 455
ALA A 381
 None
 1.27A 4wzmA-4bjuA:
0.2		 4wzmA-4bjuA:
24.71
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 ASP A 767
ASP A 945
ASP A 968
ALA A 948
 None
 1.10A 4wzmA-5dotA:
2.4		 4wzmA-5dotA:
16.40
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.
5fsb TECTONIN 2

(Laccaria
bicolor) 		no annotation 4 ASP A 203
ASP A 125
ASP A  50
ALA A 165
 MG  A 299 ( 3.9A)
MG  A 299 ( 3.9A)
MG  A 299 ( 4.0A)
None
 1.11A 4wzmA-5fsbA:
undetectable		 4wzmA-5fsbA:
19.96
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.
5irb RTX-ADHESIN

(Marinomonas
primoryensis) 		no annotation 4 ASP A 390
ASP A 477
ASP A 394
ALA A 479
 CA  A 602 (-2.2A)
CA  A 602 (-3.2A)
None
None
 1.48A 4wzmA-5irbA:
undetectable		 4wzmA-5irbA:
21.56
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.
5ixm LPS-ASSEMBLY PROTEIN
LPTD

(Yersinia pestis) 		PF04453
(OstA_C) 		4 ASP A 116
ASP A 110
ASP A  69
ALA A 112
 None
 1.22A 4wzmA-5ixmA:
undetectable		 4wzmA-5ixmA:
19.68
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.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		4 ASP A 341
ASP A 367
ASP A 108
ALA A 369
 CA  A 904 (-2.2A)
CA  A 904 (-2.5A)
None
CA  A 904 ( 4.6A)
 1.40A 4wzmA-5uj6A:
undetectable		 4wzmA-5uj6A:
19.62