SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3wud'

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
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)		 3wud GALECTIN
(Xenopus
laevis) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
 0.17A 3galA-3wudA:
19.6		 3galA-3wudA:
30.77
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)		 3wud GALECTIN
(Xenopus
laevis) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
 0.26A 3galB-3wudA:
19.2		 3galB-3wudA:
30.77
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 3wud GALECTIN
(Xenopus
laevis) 		6 / 11 VAL A  99
PHE A 107
PHE A  31
ILE A  33
LEU A 101
PHE A  80
 None
 1.39A 3t3rA-3wudA:
undetectable		 3t3rA-3wudA:
15.87
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.
5JNC_A_ACTA305_0
(CARBONIC ANHYDRASE 4)		 3wud GALECTIN
(Xenopus
laevis) 		4 / 4 GLN A 105
VAL A  77
GLU A  75
ILE A  59
 None
 1.31A 5jncA-3wudA:
undetectable		 5jncA-3wudA:
17.76
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)		 3wud GALECTIN
(Xenopus
laevis) 		7 / 7 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 0.64A 6b8kA-3wudA:
19.5		 6b8kA-3wudA:
36.90
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)		 3wud GALECTIN
(Xenopus
laevis) 		8 / 8 HIS A  45
ASN A  47
ARG A  49
HIS A  52
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
SO4  A 203 (-3.9A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 1.00A 6b94A-3wudA:
25.3		 6b94A-3wudA:
60.00
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)		 3wud GALECTIN
(Xenopus
laevis) 		9 / 10 HIS A  45
ASN A  47
ARG A  49
HIS A  52
ASP A  55
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
SO4  A 203 (-3.9A)
None
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 1.00A 6b94A-3wudA:
25.3
6b94B-3wudA:
24.9		 6b94A-3wudA:
60.00
6b94B-3wudA:
60.00