SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ek3'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1HXB_A_ROCA100_2
(HIV-1 PROTEASE)		 3ek3 NITROREDUCTASE
(Bacteroides
fragilis) 		3 / 3 ARG A 146
THR A  51
VAL A 154
 None
 0.92A 1hxbA-3ek3A:
undetectable		 1hxbA-3ek3A:
18.56
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.
2QAK_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 3ek3 NITROREDUCTASE
(Bacteroides
fragilis) 		3 / 3 ARG A 146
THR A  51
VAL A 154
 None
 0.90A 2qakA-3ek3A:
undetectable		 2qakA-3ek3A:
19.07
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.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3ek3 NITROREDUCTASE
(Bacteroides
fragilis) 		5 / 11 GLN A 135
LEU A  59
VAL A  53
ALA A  52
PHE A 120
 FMN  A 200 (-3.0A)
None
None
None
None
 1.19A 3n23C-3ek3A:
undetectable		 3n23C-3ek3A:
11.60
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.
3OHT_A_1N1A1000_2
(P38A)		 3ek3 NITROREDUCTASE
(Bacteroides
fragilis) 		3 / 3 GLU A 117
LEU A 121
LEU A  33
 None
 0.58A 3ohtA-3ek3A:
undetectable		 3ohtA-3ek3A:
21.94
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.
3OHT_B_1N1B1000_2
(P38A)		 3ek3 NITROREDUCTASE
(Bacteroides
fragilis) 		3 / 3 GLU A 117
LEU A 121
LEU A  33
 None
 0.62A 3ohtB-3ek3A:
undetectable		 3ohtB-3ek3A:
21.94
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)		 3ek3 NITROREDUCTASE
(Bacteroides
fragilis) 		4 / 5 GLY A  68
LYS A  67
GLU A  64
GLY A  82
 None
 1.00A 3onnA-3ek3A:
undetectable		 3onnA-3ek3A:
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.
4ZBQ_A_DIFA602_1
(SERUM ALBUMIN)		 3ek3 NITROREDUCTASE
(Bacteroides
fragilis) 		4 / 8 LEU A 126
ASP A  27
ASN A  30
ALA A  31
 None
 0.77A 4zbqA-3ek3A:
undetectable		 4zbqA-3ek3A:
16.87