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 C:1;
 Valid;
 none;
 submit data
1164.89 n/a S(=O)...
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 1610 families.
1 3Q7G - GU4 YYJ n/a n/a
2 4RDA - IDS SGN IDS SGN UAP 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 1331 families.
1 3Q7G - GU4 YYJ n/a n/a
2 4RDA - IDS SGN IDS SGN UAP 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 1144 families.
1 3Q7G - GU4 YYJ n/a n/a
2 4RDA - IDS SGN IDS SGN UAP n/a n/a
3 3QMK - SGN IDS SGN IDS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SGN IDS SGN IDS; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SGN IDS SGN IDS 1 1
2 SGN IDS SGN UAP 0.757282 0.96875
3 SGN IDS SGN IDS SGN UAP 0.757282 0.96875
4 SGN IDS SGN IDS SGN 0.754902 0.96875
5 IDS SGN IDS SGN IDS SGN 0.636364 0.96875
6 IDS SGN IDS SGN IDS 0.627273 0.984127
7 IDS SGN IDS SGN IDS SUS IDS SGN 0.625 0.984127
8 IDS SGN IDS SGN UAP 0.596639 0.938462
9 ZDO IDS SUS BDP SGN 0.584746 0.953846
10 IDY SGN 0.539216 0.938462
11 SGN IDU 0.539216 0.968254
12 GNS IDR GNS IDR GNS IDR GNS IDR 0.528302 0.984127
13 IDY SUS 0.514563 0.907692
14 SGN UAP 0.476636 0.895522
15 BDP NPO GNS IDS GNS BDP GNS 0.453846 0.837838
16 IDY GNX 0.451923 0.893939
17 BDP GNS BDP GNS BDP GNS BDP 0.4375 0.984127
Similar Ligands (3D)
Ligand no: 1; Ligand: SGN IDS SGN IDS; Similar ligands found: 0
No: Ligand Similarity coefficient
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 with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3qmk.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
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