SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pnd'

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.
2NPN_A_SAMA4633_0
(PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN)		 3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE
(Salmonella
enterica) 		5 / 9 GLY A 299
TYR A 189
ALA A 109
LEU A  75
LEU A 110
 None
SO4  A 360 (-4.8A)
None
FAD  A 500 ( 4.5A)
None
 1.31A 2npnA-3pndA:
undetectable		 2npnA-3pndA:
23.85
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.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE
(Salmonella
enterica) 		3 / 3 THR A  40
ASP A 298
SER A 254
 None
 0.85A 2nxeA-3pndA:
undetectable		 2nxeA-3pndA:
22.38
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.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE
(Salmonella
enterica) 		3 / 3 THR A  40
ASP A 298
SER A 254
 None
 0.83A 2nxeB-3pndA:
undetectable		 2nxeB-3pndA:
22.38
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.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)		 3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE
(Salmonella
enterica) 		5 / 10 ILE A 122
MET A  41
TYR A 179
LEU A  84
LEU A  75
 None
FAD  A 500 (-3.7A)
None
None
FAD  A 500 ( 4.5A)
 1.38A 2w98A-3pndA:
undetectable		 2w98A-3pndA:
21.08
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.
3E23_A_SAMA221_1
(UNCHARACTERIZED
PROTEIN RPA2492)		 3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE
(Salmonella
enterica) 		3 / 3 TYR A  78
ASP A 181
HIS A 270
 FAD  A 500 (-3.7A)
FAD  A 500 (-3.2A)
SO4  A 362 (-4.0A)
 0.89A 3e23A-3pndA:
undetectable		 3e23A-3pndA:
24.48
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.
4P6X_I_HCYI900_2
(GLUCOCORTICOID
RECEPTOR)		 3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE
(Salmonella
enterica) 		3 / 3 MET A  41
MET A  85
TYR A 189
 FAD  A 500 (-3.7A)
None
SO4  A 360 (-4.8A)
 0.92A 4p6xI-3pndA:
undetectable		 4p6xI-3pndA:
20.93
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.
4PEV_B_ADNB501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE
(Salmonella
enterica) 		5 / 12 VAL A 285
GLY A 265
ASP A 264
PHE A 333
GLY A 332
 None
 1.27A 4pevB-3pndA:
undetectable		 4pevB-3pndA:
24.11
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.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		 3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE
(Salmonella
enterica) 		6 / 12 VAL A 128
ASP A 181
ILE A 272
PRO A 274
THR A 302
VAL A 306
 FAD  A 500 ( 4.6A)
FAD  A 500 (-3.2A)
FAD  A 500 (-4.5A)
FAD  A 500 ( 4.6A)
None
None
 0.50A 4xdrA-3pndA:
15.9		 4xdrA-3pndA:
28.53
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE
(Salmonella
enterica) 		3 / 3 VAL A 180
ARG A 165
PRO A  95
 None
 0.49A 5koxA-3pndA:
1.6		 5koxA-3pndA:
21.81
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE
(Salmonella
enterica) 		5 / 12 PHE A 324
SER A 286
ILE A 326
PHE A 341
ALA A 297
 None
 1.15A 5vcgA-3pndA:
undetectable		 5vcgA-3pndA:
21.61