SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1x1e'

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.
1BRP_A_RTLA183_0
(RETINOL BINDING
PROTEIN)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		5 / 12 LEU A  52
PHE A 181
ALA A  78
GLY A  15
LEU A  74
 None
 1.13A 1brpA-1x1eA:
undetectable		 1brpA-1x1eA:
20.58
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.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		4 / 8 ALA A 112
LEU A  60
LEU A  71
ALA A  64
 None
 0.70A 1e7cA-1x1eA:
undetectable		 1e7cA-1x1eA:
17.74
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.
1UTD_V_TRPV81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		5 / 11 GLY A  70
GLY A 122
HIS A  72
ALA A 113
ILE A 167
 None
 1.13A 1utdL-1x1eA:
undetectable
1utdV-1x1eA:
undetectable		 1utdL-1x1eA:
13.97
1utdV-1x1eA:
13.97
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		5 / 8 ILE A  14
ILE A  18
ILE A  31
ARG A 123
ALA A   5
 None
 1.34A 2nniA-1x1eA:
undetectable		 2nniA-1x1eA:
19.57
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.
2OAX_D_SNLD4001_1
(MINERALOCORTICOID
RECEPTOR)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		5 / 12 LEU A 125
LEU A 108
ALA A 109
TRP A 162
LEU A  71
 None
 1.30A 2oaxD-1x1eA:
undetectable		 2oaxD-1x1eA:
21.79
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.
2VCV_P_ASDP1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		4 / 8 LEU A 172
LEU A 217
LEU A  22
ALA A  21
 None
 0.84A 2vcvP-1x1eA:
undetectable		 2vcvP-1x1eA:
22.62
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.
2VQ5_B_LDPB1197_1
(S-NORCOCLAURINE
SYNTHASE)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		4 / 7 LEU A 154
LEU A 158
PHE A 126
LEU A 102
 None
 1.00A 2vq5B-1x1eA:
undetectable		 2vq5B-1x1eA:
20.16
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.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		3 / 3 LEU A 185
LEU A 191
ARG A 198
 None
 0.76A 3hcnB-1x1eA:
2.8		 3hcnB-1x1eA:
18.99
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		4 / 5 SER A 129
ILE A  14
TYR A 144
GLY A 175
 None
 0.90A 3uboB-1x1eA:
7.0		 3uboB-1x1eA:
21.11
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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		5 / 12 GLY A  15
GLY A  10
GLY A   9
ALA A 211
VAL A 177
 None
 0.97A 4htfA-1x1eA:
6.6		 4htfA-1x1eA:
20.61
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.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE
(Thermus
thermophilus) 		5 / 12 ILE A 195
ASP A 233
GLY A 175
THR A 145
ALA A 238
 None
 0.86A 5x66F-1x1eA:
undetectable		 5x66F-1x1eA:
20.92