SIMILAR PATTERNS OF AMINO ACIDS FOR 6MN8_A_GLYA607

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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 GLU A 446
ASP A 346
ARG A 349
TRP A 737
 None
None
CBS  A1001 (-3.0A)
CBS  A1001 (-3.8A)
 1.01A 6mn8A-1c7tA:
0.2		 6mn8A-1c7tA:
19.19
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 GLU A 288
ASP A 208
ARG A 211
TRP A 489
 None
None
IFG  A 557 (-2.8A)
IFG  A 557 (-3.6A)
 1.14A 6mn8A-1nowA:
0.0		 6mn8A-1nowA:
20.70
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.
2f7v AECTYLCITRULLINE
DEACETYLASE

(Xanthomonas
campestris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 344
ASP A 343
ARG A  90
TRP A  82
 None
 1.44A 6mn8A-2f7vA:
0.0		 6mn8A-2f7vA:
19.57
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.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 GLU A 256
ASP A 175
ARG A 178
TRP A 460
 None
None
None
SO4  A 708 (-3.9A)
 1.15A 6mn8A-2gjxA:
0.0		 6mn8A-2gjxA:
21.73
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 4 GLU I 256
ASP I 175
ARG I 178
TRP I 460
 None
None
NGT  A  21 (-2.3A)
NGT  A  21 (-3.7A)
 1.11A 6mn8A-2gk1I:
0.0		 6mn8A-2gk1I:
22.74
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 GLU M 288
ASP M 208
ARG M 211
TRP N 489
 None
 1.10A 6mn8A-2gk1M:
0.0		 6mn8A-2gk1M:
16.54
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.
3nrd HISTIDINE TRIAD
(HIT) PROTEIN

(Sinorhizobium
meliloti) 		PF01230
(HIT) 		4 GLU A  77
ASP A 102
ARG A  98
TRP A 105
 None
 1.44A 6mn8A-3nrdA:
0.0		 6mn8A-3nrdA:
13.77
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 GLU A 252
ASP A 167
ARG A 170
TRP A 441
 None
None
OAN  A2000 (-2.8A)
OAN  A2000 (-3.7A)
 1.04A 6mn8A-3sutA:
0.0		 6mn8A-3sutA:
22.69
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.
4c7g BETA-N-ACETYLHEXOSAM
INIDASE

(Streptomyces
coelicolor) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 GLU A 232
ASP A 147
ARG A 150
TRP A 430
 None
None
NGO  A1495 (-2.8A)
NGO  A1495 (-3.6A)
 1.08A 6mn8A-4c7gA:
undetectable		 6mn8A-4c7gA:
21.28
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) 		4 GLU A 235
ASP A 150
ARG A 153
TRP A 448
 None
None
GOL  A 604 (-3.5A)
GOL  A 604 ( 3.6A)
 1.16A 6mn8A-4pysA:
undetectable		 6mn8A-4pysA:
22.36
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 4 GLU B 269
ASP B 190
ARG B 193
TRP B 517
 None
None
NGT  B 707 (-3.0A)
NGT  B 707 (-3.8A)
 1.03A 6mn8A-5oarB:
undetectable		 6mn8A-5oarB:
undetectable