SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG3_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
 1.43A 3ag3P-1vynA:
undetectable
3ag3W-1vynA:
0.0		 3ag3P-1vynA:
22.73
3ag3W-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
 1.36A 3ag3P-1yr2A:
0.8
3ag3W-1yr2A:
0.0		 3ag3P-1yr2A:
16.55
3ag3W-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 3ag3P-2xswA:
0.0
3ag3W-2xswA:
0.0		 3ag3P-2xswA:
21.62
3ag3W-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.
3nx3 ACETYLORNITHINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00202
(Aminotran_3) 		4 ARG A 227
PHE A 231
LEU A 374
PHE A 334
 None
 1.48A 3ag3P-3nx3A:
0.0
3ag3W-3nx3A:
0.0		 3ag3P-3nx3A:
19.65
3ag3W-3nx3A:
10.98
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 ARG A 331
PHE A 216
LEU A 315
PHE A 312
 None
 1.26A 3ag3P-3o57A:
1.8
3ag3W-3o57A:
0.0		 3ag3P-3o57A:
20.05
3ag3W-3o57A:
8.91
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.
4fqn MALCAVERNIN

(Homo sapiens) 		PF16545
(CCM2_C) 		4 ARG A 354
PHE A 348
LEU A 369
PHE A 365
 None
 1.42A 3ag3P-4fqnA:
1.0
3ag3W-4fqnA:
undetectable		 3ag3P-4fqnA:
14.18
3ag3W-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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 ARG A 503
PHE A 388
LEU A 487
PHE A 484
 IOD  A 805 (-4.3A)
None
None
IOD  A 805 ( 4.9A)
 1.30A 3ag3P-4wziA:
0.9
3ag3W-4wziA:
1.5		 3ag3P-4wziA:
16.59
3ag3W-4wziA:
6.48