SIMILAR PATTERNS OF AMINO ACIDS FOR 3MYU_B_VIBB500_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.
1akm ORNITHINE
TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 TYR A 229
ASP A 140
TYR A 160
ASP A 231
GLY A 169
 None
 1.49A 3myuB-1akmA:
0.8		 3myuB-1akmA:
19.89
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		5 TYR A 411
ASP A 118
ASP A 420
ILE A  68
GLY A  59
 None
 1.39A 3myuB-1h4pA:
0.0		 3myuB-1h4pA:
22.59
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.
1onf GLUTATHIONE
REDUCTASE

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ASP A   3
ASN A 143
TYR A 106
ASP A 104
GLY A 141
 None
 1.41A 3myuB-1onfA:
0.0		 3myuB-1onfA:
23.46
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 230
ASN B 233
TYR B 156
ILE B 231
GLY B 234
 MG  B 328 ( 3.6A)
None
None
None
None
 1.43A 3myuB-3aqcB:
0.0		 3myuB-3aqcB:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e79 HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37

(Mycoplasma
hyorhinis) 		PF06646
(Mycoplasma_p37) 		5 ASN A 200
TYR A 215
TYR A 343
ASP A 344
GLY A 380
 TPP  A 551 (-3.3A)
TPP  A 551 (-3.7A)
TPP  A 551 (-4.2A)
TPP  A 551 (-3.3A)
TPP  A 551 (-3.5A)
 0.79A 3myuB-3e79A:
40.8		 3myuB-3e79A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e79 HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37

(Mycoplasma
hyorhinis) 		PF06646
(Mycoplasma_p37) 		5 TYR A 215
TRP A 314
TYR A 343
ASP A 344
GLY A 380
 TPP  A 551 (-3.7A)
TPP  A 551 (-3.7A)
TPP  A 551 (-4.2A)
TPP  A 551 (-3.3A)
TPP  A 551 (-3.5A)
 0.39A 3myuB-3e79A:
40.8		 3myuB-3e79A:
33.33
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.
3hoi FMN-DEPENDENT
NITROREDUCTASE
BF3017

(Bacteroides
fragilis) 		PF00881
(Nitroreductase) 		5 ASN A  71
TYR A 102
ASP A 103
ILE A  70
GLY A  69
 None
 1.08A 3myuB-3hoiA:
0.0		 3myuB-3hoiA:
19.48
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.
3ip3 OXIDOREDUCTASE,
PUTATIVE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ASP A 186
ASP A 248
TRP A 187
ILE A 182
GLY A 181
 None
 1.48A 3myuB-3ip3A:
0.2		 3myuB-3ip3A:
22.75
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.
4fe4 XYLOSE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF12833
(HTH_18)
PF13377
(Peripla_BP_3) 		5 ASP A 219
ASN A 220
TYR A 125
ILE A 218
GLY A 217
 None
 1.40A 3myuB-4fe4A:
0.0		 3myuB-4fe4A:
22.51
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.
4pys BETA-N-ACETYLHEXOSAM
INIDASE

(Bacteroides
fragilis) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ASN A 174
TYR A 224
ASP A 166
ILE A 112
GLY A 229
 None
 1.43A 3myuB-4pysA:
undetectable		 3myuB-4pysA:
22.37
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		5 ASP A 106
ASN A 282
TYR A 120
ILE A 117
GLY A 118
 None
 1.41A 3myuB-4y4vA:
undetectable		 3myuB-4y4vA:
22.08
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		5 ASP A 323
TRP A 325
TYR A 440
ASP A 439
GLY A 326
 None
BGC  A 709 ( 4.3A)
None
BGC  A 709 ( 4.5A)
None
 1.26A 3myuB-5gy0A:
undetectable		 3myuB-5gy0A:
19.51
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.
5y3x BETA-XYLANASE

(Caldicellulosiruptor
owensensis) 		no annotation 5 ASN A  79
TYR A 127
ASP A  70
ASP A 129
ILE A  77
 None
 1.27A 3myuB-5y3xA:
undetectable		 3myuB-5y3xA:
11.34