SIMILAR PATTERNS OF AMINO ACIDS FOR 4U3E_A_ACTA705

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.
1ggp PROTEIN (LECTIN 1 A
CHAIN)
PROTEIN (LECTIN 1 B
CHAIN)

(Trichosanthes
kirilowii;
Trichosanthes
kirilowii) 		PF00161
(RIP)
PF00652
(Ricin_B_lectin) 		4 HIS A  34
ASP B  99
TYR A 233
VAL A 232
 None
 1.12A 4u3eA-1ggpA:
0.0		 4u3eA-1ggpA:
18.50
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		4 HIS A 329
ASP A 104
TYR A 326
VAL A 109
 None
 1.45A 4u3eA-2gsnA:
0.0		 4u3eA-2gsnA:
20.29
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.
2w0i TWINFILIN-2

(Homo sapiens) 		PF00241
(Cofilin_ADF) 		4 HIS A 313
ASP A 309
TYR A 241
VAL A 312
 None
 1.48A 4u3eA-2w0iA:
0.9		 4u3eA-2w0iA:
12.44
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.
3j4p CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 HIS A 360
ASP A 285
TYR A 283
VAL A 355
 None
 1.45A 4u3eA-3j4pA:
0.0		 4u3eA-3j4pA:
21.50
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.
3ra2 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 HIS A 361
ASP A 286
TYR A 284
VAL A 356
 None
 1.42A 4u3eA-3ra2A:
0.0		 4u3eA-3ra2A:
22.40
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.
3ux1 CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 HIS A 360
ASP A 285
TYR A 283
VAL A 355
 None
 1.38A 4u3eA-3ux1A:
0.0		 4u3eA-3ux1A:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		4 HIS A 114
ASP A 115
TYR A 124
VAL A 371
 CIT  A1589 (-4.0A)
CIT  A1589 (-3.8A)
None
None
 0.18A 4u3eA-4conA:
52.6		 4u3eA-4conA:
97.02
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 HIS A 489
ASP A 474
TYR A 475
VAL A 488
 None
 1.44A 4u3eA-5c9iA:
0.0		 4u3eA-5c9iA:
21.74