SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2x86'

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.
1MX1_A_THAA1_1
(LIVER
CARBOXYLESTERASE I)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		5 / 11 LEU A  42
GLY A   7
GLY A   6
LEU A  33
HIS A 177
 None
None
NAP  A 400 (-3.4A)
None
NAP  A 400 (-4.0A)
 0.95A 1mx1A-2x86A:
2.9		 1mx1A-2x86A:
19.31
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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		5 / 12 LEU A  42
GLY A   7
GLY A   6
LEU A  33
HIS A 177
 None
None
NAP  A 400 (-3.4A)
None
NAP  A 400 (-4.0A)
 0.91A 1mx1D-2x86A:
undetectable		 1mx1D-2x86A:
19.31
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.
1T86_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		4 / 8 THR A 250
LEU A 200
VAL A 295
VAL A 299
 None
ADP  A 401 (-4.3A)
None
None
 0.94A 1t86A-2x86A:
undetectable		 1t86A-2x86A:
21.33
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.
1TKQ_B_DVAB8_0
(GRAMICIDIN A)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		4 / 5 VAL A 214
GLY A 215
VAL A 217
TRP A 223
 None
 1.27A 1tkqB-2x86A:
undetectable		 1tkqB-2x86A:
3.77
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.
1X1A_A_SAMA4264_0
(CRTF-RELATED PROTEIN)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		5 / 12 GLY A   9
GLY A   7
ILE A  15
LEU A  33
ASP A  35
 NAP  A 400 (-3.4A)
None
None
None
None
 0.97A 1x1aA-2x86A:
3.6		 1x1aA-2x86A:
24.69
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.
2JC9_A_ADNA1497_1
(CYTOSOLIC PURINE
5'-NUCLEOTIDASE)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		4 / 7 ASP A  31
THR A   5
ILE A  15
ASN A 221
 NAP  A 400 (-2.9A)
NAP  A 400 ( 4.5A)
None
None
 1.26A 2jc9A-2x86A:
2.7		 2jc9A-2x86A:
22.24
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.
3VYW_C_SAMC401_1
(MNMC2)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		4 / 6 GLY A 236
ASP A 216
ASN A 221
GLU A  75
 None
 1.05A 3vywC-2x86A:
3.0		 3vywC-2x86A:
23.66
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.
3W9T_G_W9TG504_1
(HEMOLYTIC LECTIN
CEL-III)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		4 / 5 VAL A 163
GLY A 231
TYR A 113
ASP A 148
 None
 1.43A 3w9tG-2x86A:
undetectable		 3w9tG-2x86A:
21.52
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		5 / 11 TYR A 103
LEU A  19
ILE A   2
PHE A  66
TYR A  96
 None
None
None
None
NAP  A 400 (-3.1A)
 1.41A 4a7aA-2x86A:
2.9		 4a7aA-2x86A:
20.84
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.
4CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		4 / 7 THR A 250
LEU A 200
VAL A 295
VAL A 299
 None
ADP  A 401 (-4.3A)
None
None
 0.97A 4cp4A-2x86A:
undetectable		 4cp4A-2x86A:
21.33
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.
4G19_D_ACTD302_0
(GLUTATHIONE
TRANSFERASE GTE1)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		3 / 3 TYR A 272
PHE A 211
ARG A 209
 ADP  A 401 (-4.3A)
None
ADP  A 401 (-2.7A)
 1.05A 4g19D-2x86A:
undetectable		 4g19D-2x86A:
21.64
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.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		4 / 5 THR A  81
THR A  82
HIS A 187
ASN A 169
 ADP  A 401 ( 3.7A)
None
ADP  A 401 (-4.1A)
ADP  A 401 (-3.9A)
 1.22A 4pgfB-2x86A:
5.7		 4pgfB-2x86A:
22.44
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.
5N0X_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E
(Escherichia
coli) 		3 / 3 SER A 116
ALA A 117
THR A 276
 BMA  A 402 ( 3.2A)
None
None
 0.31A 5n0xB-2x86A:
undetectable		 5n0xB-2x86A:
20.83