Receptor
PDB id Resolution Class Description Source Keywords
4RDA 2.5 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF THE AMYLOID PRECURSOR PROTEIN-LIKE PROTEI (APLP1) E2 DOMAIN IN COMPLEX WITH A HEPARIN DODECASACCHARID HOMO SAPIENS HEPARAN SULFATE BINDING SUGAR BINDING PROTEIN
Ref.: INTERACTION OF THE AMYLOID PRECURSOR PROTEIN-LIKE P (APLP1) E2 DOMAIN WITH HEPARAN SULFATE INVOLVES TWO BINDING MODES. ACTA CRYSTALLOGR.,SECT.D V. 71 494 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:506;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
IDS SGN IDS SGN UAP C:1;
 Valid;
 none;
 submit data
1385.05 n/a S(=O)...
IDS SGN IDS SGN IDS SGN D:1;
 Valid;
 none;
 submit data
1722.33 n/a S(=O)...
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: IDS SGN IDS SGN UAP; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 IDS SGN IDS SGN UAP 1 1
2 SGN IDS SGN IDS SGN UAP 0.794643 0.969231
3 SGN IDS SGN UAP 0.794643 0.969231
4 SGN IDS SGN IDS 0.596639 0.938462
5 SGN IDS SGN IDS SGN 0.554688 0.939394
6 IDS SGN IDS SGN IDS 0.542636 0.924242
7 IDS SGN IDS SGN IDS SGN 0.526718 0.939394
8 IDS SGN IDS SGN IDS SUS IDS SGN 0.507463 0.953846
9 ZDO IDS SUS BDP SGN 0.5 0.925373
10 GNS UAP 0.470085 0.939394
11 IDY SGN 0.46281 0.910448
12 IDY SUS 0.430894 0.880597
13 BDP NPO GNS IDS GNS BDP GNS 0.412162 0.815789
Ligand no: 2; Ligand: IDS SGN IDS SGN IDS SGN; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 IDS SGN IDS SGN IDS SGN 1 1
2 SGN IDS SGN IDS SGN 0.852941 1
3 IDS SGN IDS SGN IDS 0.733945 0.984375
4 IDS SGN IDS SGN IDS SUS IDS SGN 0.684211 0.984375
5 SGN IDS SGN IDS 0.636364 0.96875
6 SGN IDS SGN IDS SGN UAP 0.578512 0.939394
7 SGN IDS SGN UAP 0.578512 0.939394
8 ZDO IDS SUS BDP SGN 0.539062 0.954545
9 IDS SGN IDS SGN UAP 0.526718 0.939394
10 IDY SGN 0.518182 0.939394
11 IDY SUS 0.482143 0.909091
12 SGN IDU 0.439655 0.96875
13 IDY GNX 0.4375 0.895522
14 BDP NPO GNS IDS GNS BDP GNS 0.411348 0.84
Similar Ligands (3D)
Ligand no: 1; Ligand: IDS SGN IDS SGN UAP; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: IDS SGN IDS SGN IDS SGN; 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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