SIMILAR PATTERNS OF AMINO ACIDS FOR 2B8J_A_SPMA653_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.
1jpd L-ALA-D/L-GLU
EPIMERASE

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP X 249
TRP X  11
GLY X 252
ASP X  92
THR X 279
 None
 1.30A 2b8jA-1jpdX:
0.5		 2b8jA-1jpdX:
20.61
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.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LYS A 760
GLY A 628
ASP A 545
THR A 753
TYR A 752
 None
 1.42A 2b8jA-2g5tA:
0.6		 2b8jA-2g5tA:
14.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hf7 CLASS B ACID
PHOSPHATASE

(Escherichia
coli) 		PF03767
(Acid_phosphat_B) 		9 ASP A  46
PHE A  56
TRP A  57
LYS A  60
TYR A  70
GLY A 113
ASP A 145
THR A 192
TYR A 193
 AF3  A 800 ( 3.7A)
None
None
None
None
AF3  A 800 (-3.5A)
None
None
None
 0.46A 2b8jA-2hf7A:
37.0		 2b8jA-2hf7A:
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.
3icl EAL/GGDEF DOMAIN
PROTEIN

(Methylococcus
capsulatus) 		PF00990
(GGDEF) 		5 PHE A  34
GLY A  77
ASP A  79
THR A 143
TYR A 146
 None
None
SO4  A 171 ( 4.0A)
None
SO4  A 171 (-4.7A)
 1.33A 2b8jA-3iclA:
0.0		 2b8jA-3iclA:
20.98
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) 		5 ASP A 441
PHE A 445
TYR A 168
GLY A 482
TYR A 485
 None
 1.48A 2b8jA-4c7gA:
1.9		 2b8jA-4c7gA:
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.
4f0i HIGH AFFINITY NERVE
GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ASP A 673
GLY A 669
ASP A 667
THR A 677
TYR A 679
 None
 1.43A 2b8jA-4f0iA:
0.0		 2b8jA-4f0iA:
20.59
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.
4ok7 ENDOLYSIN

(Salmonella
virus SPN1S) 		PF00182
(Glyco_hydro_19) 		5 ASP A  38
PHE A 167
TRP A 165
GLY A 177
ASP A 178
 None
 1.46A 2b8jA-4ok7A:
0.0		 2b8jA-4ok7A:
21.52