SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG1_P_CHDP1271

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.
1vyn ARGONAUTE2

(Drosophila
melanogaster) 		PF02170
(PAZ) 		4 ARG A  30
PHE A  14
LEU A  33
PHE A  32
 None
 1.46A 3ag1P-1vynA:
undetectable
3ag1W-1vynA:
0.0		 3ag1P-1vynA:
22.73
3ag1W-1vynA:
16.67
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ARG A 101
PHE A 510
LEU A 105
PHE A 454
 None
 1.41A 3ag1P-1yr2A:
0.8
3ag1W-1yr2A:
0.0		 3ag1P-1yr2A:
16.55
3ag1W-1yr2A:
6.13
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.
2xsw 72 KDA INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ARG A 557
PHE A 523
LEU A 510
PHE A 480
 None
 1.16A 3ag1P-2xswA:
0.0
3ag1W-2xswA:
0.0		 3ag1P-2xswA:
21.62
3ag1W-2xswA:
10.08
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 ARG A  47
PHE A 131
LEU A 462
PHE A 463
 None
 1.40A 3ag1P-3q5iA:
2.2
3ag1W-3q5iA:
0.0		 3ag1P-3q5iA:
17.23
3ag1W-3q5iA:
9.16
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.
4fqn MALCAVERNIN

(Homo sapiens) 		PF16545
(CCM2_C) 		4 ARG A 354
PHE A 348
LEU A 369
PHE A 365
 None
 1.38A 3ag1P-4fqnA:
0.0
3ag1W-4fqnA:
0.0		 3ag1P-4fqnA:
14.18
3ag1W-4fqnA:
20.00
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.
5ijb TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF00560
(LRR_1)
PF11921
(DUF3439)
PF13855
(LRR_8) 		4 ARG A 198
PHE A 170
LEU A 194
PHE A 222
 None
 1.29A 3ag1P-5ijbA:
undetectable
3ag1W-5ijbA:
0.0		 3ag1P-5ijbA:
16.33
3ag1W-5ijbA:
6.91
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 ARG A 204
PHE A 236
LEU A 203
PHE A 205
 EDO  A 805 (-3.6A)
None
EDO  A 805 (-4.5A)
None
 1.44A 3ag1P-6f91A:
0.1
3ag1W-6f91A:
0.0		 3ag1P-6f91A:
undetectable
3ag1W-6f91A:
undetectable