SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DHS'


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.
1HK1_A_T44A3004_1
(SERUM ALBUMIN)		 1l9w 3-DEHYDROQUINATE
DEHYDRATASE AROD
(Salmonella
enterica) 		4 / 6 PHE A  79
GLU A  46
LEU A  22
VAL A  30
 None
DHS  A 301 (-2.6A)
None
None
 1.07A 1hk1A-1l9wA:
0.0		 1hk1A-1l9wA:
16.90
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.
3NUV_A_ASDA126_1
(STEROID
DELTA-ISOMERASE)		 1l9w 3-DEHYDROQUINATE
DEHYDRATASE AROD
(Salmonella
enterica) 		5 / 12 PHE A 225
SER A  21
PHE A 145
MET A 203
ALA A 172
 DHS  A 301 (-3.9A)
DHS  A 301 (-3.0A)
None
DHS  A 301 ( 4.3A)
DHS  A 301 ( 4.6A)
 1.42A 3nuvA-1l9wA:
0.0		 3nuvA-1l9wA:
20.24
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.
4EAH_G_ACTG401_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 3js3 3-DEHYDROQUINATE
DEHYDRATASE
(Clostridioides
difficile) 		3 / 3 PHE A  82
ASP A 115
ARG A  83
 None
None
DHS  A 301 (-3.9A)
 0.89A 4eahG-3js3A:
undetectable		 4eahG-3js3A:
20.52
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.
4LF7_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 1l9w 3-DEHYDROQUINATE
DEHYDRATASE AROD
(Salmonella
enterica) 		3 / 3 TYR A  97
ARG A  82
SER A  83
 None
DHS  A 301 (-4.3A)
None
 1.05A 4lf7I-1l9wA:
0.0
4lf7J-1l9wA:
undetectable		 4lf7I-1l9wA:
20.48
4lf7J-1l9wA:
20.99
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.
4LF7_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 3js3 3-DEHYDROQUINATE
DEHYDRATASE
(Clostridioides
difficile) 		3 / 3 TYR A  98
ARG A  83
SER A  84
 None
DHS  A 301 (-3.9A)
None
 1.15A 4lf7I-3js3A:
undetectable
4lf7J-3js3A:
undetectable		 4lf7I-3js3A:
15.83
4lf7J-3js3A:
17.49
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.
4LF8_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 1l9w 3-DEHYDROQUINATE
DEHYDRATASE AROD
(Salmonella
enterica) 		3 / 3 TYR A  97
ARG A  82
SER A  83
 None
DHS  A 301 (-4.3A)
None
 1.05A 4lf8I-1l9wA:
0.0
4lf8J-1l9wA:
undetectable		 4lf8I-1l9wA:
20.48
4lf8J-1l9wA:
20.99
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.
4LF8_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 3js3 3-DEHYDROQUINATE
DEHYDRATASE
(Clostridioides
difficile) 		3 / 3 TYR A  98
ARG A  83
SER A  84
 None
DHS  A 301 (-3.9A)
None
 1.15A 4lf8I-3js3A:
undetectable
4lf8J-3js3A:
undetectable		 4lf8I-3js3A:
15.83
4lf8J-3js3A:
17.49
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.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 3js3 3-DEHYDROQUINATE
DEHYDRATASE
(Clostridioides
difficile) 		5 / 12 ILE A 140
VAL A 139
ARG A  49
VAL A  62
LEU A 101
 None
None
DHS  A 301 (-4.2A)
None
None
 1.12A 5ergB-3js3A:
undetectable		 5ergB-3js3A:
22.07
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.
5UUN_B_ACTB310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3js3 3-DEHYDROQUINATE
DEHYDRATASE
(Clostridioides
difficile) 		4 / 4 GLY A 236
PRO A 235
VAL A 232
ARG A 214
 None
None
None
DHS  A 301 (-2.8A)
 1.21A 5uunA-3js3A:
0.0
5uunB-3js3A:
0.0		 5uunA-3js3A:
20.77
5uunB-3js3A:
20.77