SIMILAR PATTERNS OF AMINO ACIDS FOR 1ISM_A_NCAA303_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.
1ism BONE MARROW STROMAL
CELL ANTIGEN 1


(Homo sapiens)
PF02267
(Rib_hydrolayse)
9 TRP A  77
HIS A  81
LEU A  97
SER A  98
ASP A 107
TRP A 140
SER A 144
PHE A 173
GLU A 178
NCA  A 303 (-4.4A)
NCA  A 303 (-4.1A)
NCA  A 303 (-4.3A)
NCA  A 303 (-3.9A)
NCA  A 303 (-4.4A)
NCA  A 303 (-4.0A)
NCA  A 303 ( 3.7A)
NCA  A 303 (-3.7A)
NCA  A 303 ( 4.4A)
0.00A 1ismA-1ismA:
43.0
1ismA-1ismA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eg9 ADP-RIBOSYL CYCLASE
1


(Mus musculus)
PF02267
(Rib_hydrolayse)
6 TRP A 129
LEU A 149
ASP A 159
TRP A 193
SER A 197
GLU A 230
None
0.92A 1ismA-2eg9A:
9.1
1ismA-2eg9A:
32.98
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.
2rch CYTOCHROME P450 74A

(Arabidopsis
thaliana)
PF00067
(p450)
5 HIS A 342
LEU A 513
SER A 512
ASP A 496
PHE A 489
None
1.20A 1ismA-2rchA:
0.0
1ismA-2rchA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gc6 ECTO-NAD+
GLYCOHYDROLASE (CD38
MOLECULE)


(Bos taurus)
PF02267
(Rib_hydrolayse)
5 TRP A 118
LEU A 137
ASP A 147
TRP A 181
SER A 185
None
0.45A 1ismA-3gc6A:
27.4
1ismA-3gc6A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i9k ADP-RIBOSYL CYCLASE

(Aplysia
californica)
PF02267
(Rib_hydrolayse)
5 TRP A  77
LEU A  97
TRP A 140
SER A 144
PHE A 174
None
0.40A 1ismA-3i9kA:
28.4
1ismA-3i9kA:
32.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p5s CD38 MOLECULE

(Bos taurus)
PF02267
(Rib_hydrolayse)
6 TRP A 118
LEU A 137
ASP A 147
TRP A 181
SER A 185
GLU A 218
AVU  A 280 (-3.8A)
AVU  A 280 (-3.7A)
AVU  A 280 (-3.9A)
AVU  A 280 (-3.6A)
AVU  A 280 (-2.9A)
AVU  A 280 (-2.4A)
0.44A 1ismA-3p5sA:
27.3
1ismA-3p5sA:
33.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rom ADP-RIBOSYL CYCLASE
1


(Homo sapiens)
PF02267
(Rib_hydrolayse)
6 TRP A 125
LEU A 145
ASP A 155
TRP A 189
SER A 193
GLU A 226
48Z  A 301 (-3.6A)
48Z  A 301 ( 4.8A)
None
None
48Z  A 301 (-2.8A)
48Z  A 301 (-2.0A)
0.62A 1ismA-3romA:
28.3
1ismA-3romA:
34.53
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.
3up1 INTERLEUKIN-7
RECEPTOR SUBUNIT
ALPHA


(Homo sapiens)
PF00041
(fn3)
5 HIS A 160
ASP A 146
TRP A 200
SER A 203
GLU A 182
None
1.27A 1ismA-3up1A:
undetectable
1ismA-3up1A:
20.45
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.
4lp4 ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR


(Homo sapiens)
PF00047
(ig)
PF08205
(C2-set_2)
5 HIS A 158
LEU A 155
SER A 209
SER A 190
GLU A 175
None
1.38A 1ismA-4lp4A:
0.0
1ismA-4lp4A:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bni UNCHARACTERIZED
PROTEIN


(Sus scrofa)
PF02267
(Rib_hydrolayse)
5 LEU A 150
ASP A 160
TRP A 193
SER A 197
GLU A 230
None
0.54A 1ismA-5bniA:
26.5
1ismA-5bniA:
31.76