Receptor
PDB id Resolution Class Description Source Keywords
3QMK 2.21 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE E2 DOMAIN OF APLP1 IN COMPLEX WITH HEXASACCHARIDE HOMO SAPIENS APP ALZHEIMER-prime S DISEASE CELLULAR ADHESION HEPARIN BRAINADHESION
Ref.: CRYSTAL STRUCTURE OF AMYLOID PRECURSOR-LIKE PROTEIN HEPARIN COMPLEX SUGGESTS A DUAL ROLE OF HEPARIN IN DIMERIZATION. PROC.NATL.ACAD.SCI.USA V. 108 16229 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SGN IDS SGN IDS A:4;
Valid;
none;
submit data
1164.89 n/a [S+2]...
SO4 B:1;
B:2;
B:3;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QMK 2.21 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE E2 DOMAIN OF APLP1 IN COMPLEX WITH HEXASACCHARIDE HOMO SAPIENS APP ALZHEIMER-prime S DISEASE CELLULAR ADHESION HEPARIN BRAINADHESION
Ref.: CRYSTAL STRUCTURE OF AMYLOID PRECURSOR-LIKE PROTEIN HEPARIN COMPLEX SUGGESTS A DUAL ROLE OF HEPARIN IN DIMERIZATION. PROC.NATL.ACAD.SCI.USA V. 108 16229 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3Q7G - SCR C12 H22 O35 S8 C([C@@H]1[....
2 4RDA - SGN IDS SGN IDS SGN IDS n/a n/a
3 3QMK - SGN IDS SGN IDS n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3Q7G - SCR C12 H22 O35 S8 C([C@@H]1[....
2 4RDA - SGN IDS SGN IDS SGN IDS n/a n/a
3 3QMK - SGN IDS SGN IDS n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3Q7G - SCR C12 H22 O35 S8 C([C@@H]1[....
2 4RDA - SGN IDS SGN IDS SGN IDS n/a n/a
3 3QMK - SGN IDS SGN IDS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SGN IDS SGN IDS; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 SGN IDS SGN IDS 1 1
2 SGN IDS SGN IDS SGN 0.745098 0.967742
3 SGN IDS UAP SGN 0.72381 0.967742
4 UAP SGN IDS SGN 0.72381 0.967742
5 SGN IDS UAP SGN IDS SGN 0.72381 0.967742
6 UAP SGN IDS SGN IDS SGN 0.72381 0.967742
7 SGN IDS SGN IDS SGN IDS 0.68 0.983607
8 IDS SGN IDS SGN IDS 0.62963 0.983607
9 IDS SGN IDS SGN IDS IDS 0.627273 0.967742
10 IDS SGN IDS SGN IDS SUS IDS SGN 0.612613 0.983607
11 UAP SGN IDS SGN IDS 0.596491 0.967742
12 SGN IXD 0.555556 0.934426
13 IDU SGN 0.555556 0.934426
14 NGY BDP SGN IDS SGN BDP 0.548387 0.923077
15 SGN IDY 0.545455 0.904762
16 SUS IDY 0.490385 0.873016
17 GNS BDP GNS IDS GNS BDP NPO 0.464567 0.833333
18 GNX IDY 0.438095 0.859375
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QMK; Ligand: SGN IDS SGN IDS; Similar sites found: 2
This union binding pocket(no: 1) in the query (biounit: 3qmk.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TV5 N8E 0.01924 0.43952 3.27103
2 4A7W GTP 0.04101 0.41691 4.6729
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