SIMILAR PATTERNS OF AMINO ACIDS FOR 5D9W_A_ASCA301_0

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d9t DEHYDROASCORBATE
REDUCTASE

(Oryza sativa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		8 LYS A   8
ASP A  19
PRO A  21
PHE A 104
HIS A 160
GLY A 206
TRP A 207
LYS A 210
 None
 0.31A 5d9wA-5d9tA:
37.3		 5d9wA-5d9tA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5elg GLUTATHIONE
S-TRANSFERASE DHAR1,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 ASP A  19
PHE A 106
HIS A 160
GLY A 206
TRP A 207
 GOL  A 301 (-2.9A)
None
GOL  A 301 ( 4.9A)
GOL  A 301 (-3.8A)
GOL  A 301 (-3.3A)
 1.42A 5d9wA-5elgA:
34.3		 5d9wA-5elgA:
61.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5elg GLUTATHIONE
S-TRANSFERASE DHAR1,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		7 ASP A  19
PRO A  21
PHE A 103
HIS A 160
GLY A 206
TRP A 207
LYS A 210
 GOL  A 301 (-2.9A)
GOL  A 301 ( 4.7A)
None
GOL  A 301 ( 4.9A)
GOL  A 301 (-3.8A)
GOL  A 301 (-3.3A)
GOL  A 301 (-2.6A)
 0.69A 5d9wA-5elgA:
34.3		 5d9wA-5elgA:
61.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5elg GLUTATHIONE
S-TRANSFERASE DHAR1,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		7 LYS A   8
ASP A  19
PRO A  21
PHE A 103
HIS A 160
GLY A 206
TRP A 207
 GOL  A 301 (-3.1A)
GOL  A 301 (-2.9A)
GOL  A 301 ( 4.7A)
None
GOL  A 301 ( 4.9A)
GOL  A 301 (-3.8A)
GOL  A 301 (-3.3A)
 0.44A 5d9wA-5elgA:
34.3		 5d9wA-5elgA:
61.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5evo DEHYDROASCORBATE
REDUCTASE

(Cenchrus
americanus) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		8 LYS A   8
ASP A  19
PRO A  21
PHE A 104
HIS A 160
GLY A 206
TRP A 207
LYS A 210
 GOL  A 302 (-2.9A)
GOL  A 302 (-3.0A)
GOL  A 302 (-4.8A)
None
None
GOL  A 302 (-3.6A)
GOL  A 302 (-3.8A)
GOL  A 302 (-3.3A)
 0.46A 5d9wA-5evoA:
24.0		 5d9wA-5evoA:
77.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lol GLUTATHIONE
S-TRANSFERASE DHAR2

(Arabidopsis
thaliana) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 PRO A  21
PHE A 103
HIS A 160
GLY A 206
TRP A 207
 GSH  A 301 ( 4.9A)
None
None
None
None
 0.41A 5d9wA-5lolA:
31.4		 5d9wA-5lolA:
68.98
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.
5xft DEHYDROASCORBATE
REDUCTASE

(Chlamydomonas
reinhardtii) 		no annotation 7 LYS A  10
ASP A  20
PRO A  22
PHE A 104
HIS A 164
GLY A 210
TRP A 211
 None
 0.69A 5d9wA-5xftA:
17.3		 5d9wA-5xftA:
undetectable