SIMILAR PATTERNS OF AMINO ACIDS FOR 3SUF_D_SUED1201_2

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.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A  41
PHE A  43
TYR A  56
ARG A 155
 None
 1.29A 3sufD-1ns3A:
29.1		 3sufD-1ns3A:
78.00
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLN A 453
PHE A 418
TYR A  62
ARG A  64
 None
 1.43A 3sufD-1ovmA:
0.0		 3sufD-1ovmA:
19.83
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.
2jeo URIDINE-CYTIDINE
KINASE 1

(Homo sapiens) 		PF00485
(PRK) 		4 GLN A  64
PHE A 137
LYS A  36
ARG A 155
 None
 1.12A 3sufD-2jeoA:
0.0		 3sufD-2jeoA:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A  41
PHE A  43
TYR A  56
ARG A 155
 2R8  A 301 ( 3.5A)
2R8  A 301 (-4.6A)
None
2R8  A 301 (-3.6A)
 0.38A 3sufD-4nwkA:
32.3		 3sufD-4nwkA:
99.49
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.
4p3y THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Acinetobacter
baumannii) 		PF01323
(DSBA) 		4 PHE B 112
TYR B  75
LYS B 121
ARG B  73
 None
 1.43A 3sufD-4p3yB:
0.0		 3sufD-4p3yB:
19.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		5 GLN A1041
PHE A1043
TYR A1056
LYS A1136
ARG A1155
 5RS  A1203 (-2.9A)
5RS  A1203 (-4.3A)
SO4  A1201 ( 4.5A)
5RS  A1203 (-4.8A)
5RS  A1203 (-4.8A)
 0.46A 3sufD-5eqqA:
32.7		 3sufD-5eqqA:
94.00