SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ayd'

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.
1Q23_G_FUAG708_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3ayd GALECTIN-3
(Homo
sapiens) 		3 / 3 VAL A 155
ALA A 156
HIS A 223
 None
 0.69A 1q23H-3aydA:
undetectable		 1q23H-3aydA:
20.70
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.
1Q23_L_FUAL710_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3ayd GALECTIN-3
(Homo
sapiens) 		3 / 3 VAL A 155
ALA A 156
HIS A 223
 None
 0.64A 1q23J-3aydA:
undetectable		 1q23J-3aydA:
20.70
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 3ayd GALECTIN-3
(Homo
sapiens) 		4 / 7 ASN A 214
ASP A 215
THR A 243
GLY A 136
 None
 1.00A 2f6dA-3aydA:
undetectable		 2f6dA-3aydA:
12.32
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.
2PLW_A_SAMA203_1
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 3ayd GALECTIN-3
(Homo
sapiens) 		3 / 3 SER A 194
ASP A 241
ASP A 239
 None
 0.67A 2plwA-3aydA:
undetectable		 2plwA-3aydA:
18.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3ayd GALECTIN-3
(Homo
sapiens) 		6 / 6 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
 0.22A 3galA-3aydA:
22.4		 3galA-3aydA:
35.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3ayd GALECTIN-3
(Homo
sapiens) 		6 / 6 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
 0.34A 3galB-3aydA:
22.7		 3galB-3aydA:
35.25
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.
4F4D_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ayd GALECTIN-3
(Homo
sapiens) 		5 / 12 LEU A 147
LEU A 234
ILE A 171
GLN A 187
THR A 133
 None
None
None
SO4  A   4 (-3.8A)
None
 1.22A 4f4dA-3aydA:
undetectable		 4f4dA-3aydA:
17.22
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3ayd GALECTIN-3
(Homo
sapiens) 		5 / 11 GLY A 125
MET A 130
GLY A 152
GLN A 150
PHE A 149
 None
 1.15A 4qoiA-3aydA:
undetectable
4qoiB-3aydA:
undetectable		 4qoiA-3aydA:
16.32
4qoiB-3aydA:
16.32
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3ayd GALECTIN-3
(Homo
sapiens) 		5 / 12 ASP A 215
ILE A 200
PHE A 192
LEU A 219
GLY A 136
 None
 1.12A 5i71A-3aydA:
undetectable		 5i71A-3aydA:
11.62
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3ayd GALECTIN-3
(Homo
sapiens) 		5 / 12 ASP A 215
ILE A 200
PHE A 192
LEU A 219
GLY A 136
 None
 1.12A 5i75A-3aydA:
undetectable		 5i75A-3aydA:
11.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3ayd GALECTIN-3
(Homo
sapiens) 		7 / 7 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
 0.21A 6b8kA-3aydA:
27.3		 6b8kA-3aydA:
93.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3ayd GALECTIN-3
(Homo
sapiens) 		7 / 8 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
 0.43A 6b94A-3aydA:
19.4		 6b94A-3aydA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3ayd GALECTIN-3
(Homo
sapiens) 		7 / 10 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
 0.41A 6b94A-3aydA:
19.4
6b94B-3aydA:
19.1		 6b94A-3aydA:
34.78
6b94B-3aydA:
34.78
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.
6DEB_B_MTXB302_1
(BIFUNCTIONAL PROTEIN
FOLD)		 3ayd GALECTIN-3
(Homo
sapiens) 		5 / 12 LEU A 242
LEU A 120
PRO A 121
ILE A 132
VAL A 202
 None
 1.18A 6debB-3aydA:
undetectable		 6debB-3aydA:
18.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FK2_A_SORA302_0
(GALECTIN-3)		 3ayd GALECTIN-3
(Homo
sapiens) 		4 / 4 ARG A 162
GLU A 165
GLU A 184
ARG A 186
 A2G  A 252 ( 3.1A)
None
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
 0.31A 6fk2A-3aydA:
27.4		 6fk2A-3aydA:
97.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FK2_A_SORA302_0
(GALECTIN-3)		 3ayd GALECTIN-3
(Homo
sapiens) 		4 / 4 ARG A 186
GLU A 184
GLU A 165
ARG A 162
 GAL  A 256 ( 3.8A)
A2G  A 252 (-3.0A)
None
A2G  A 252 ( 3.1A)
 0.96A 6fk2A-3aydA:
27.4		 6fk2A-3aydA:
97.10