Receptor
PDB id Resolution Class Description Source Keywords
3DY0 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CLEAVED PCI BOUND TO HEPARIN HOMO SAPIENS SERPIN BLOOD CLOTTING HYDROLASE INHIBITOR
Ref.: THE HEPARIN BINDING SITE OF PROTEIN C INHIBITOR IS PROTEASE-DEPENDENT. J.BIOL.CHEM. V. 283 36039 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:506;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
NO3 A:507;
B:508;
 Invalid;
Invalid;
 none;
none;
 submit data
62.005 N O3 [N+](...
IDS SGN IDS SGN IDS C:1;
 Valid;
 none;
 submit data
1403.06 n/a S(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DY0 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CLEAVED PCI BOUND TO HEPARIN HOMO SAPIENS SERPIN BLOOD CLOTTING HYDROLASE INHIBITOR
Ref.: THE HEPARIN BINDING SITE OF PROTEIN C INHIBITOR IS PROTEASE-DEPENDENT. J.BIOL.CHEM. V. 283 36039 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3DY0 - IDS SGN IDS SGN IDS n/a n/a
2 1LQ8 - MAN MAN MAN n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3DY0 - IDS SGN IDS SGN IDS n/a n/a
2 1LQ8 - MAN MAN MAN n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3DY0 - IDS SGN IDS SGN IDS n/a n/a
2 1LQ8 - MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IDS SGN IDS SGN IDS; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 IDS SGN IDS SGN IDS 1 1
2 IDS SGN IDS SGN IDS SGN 0.733945 0.984375
3 IDS SGN IDS SGN IDS SUS IDS SGN 0.675439 0.96875
4 SGN IDU 0.627451 0.984127
5 SGN IDS SGN IDS 0.627273 0.984127
6 SGN IDS SGN IDS SGN 0.62069 0.984375
7 SGN IDS SGN IDS SGN UAP 0.583333 0.953846
8 SGN IDS SGN UAP 0.583333 0.953846
9 IDS SGN IDS SGN UAP 0.542636 0.924242
10 ZDO IDS SUS BDP SGN 0.51938 0.939394
11 IDY SGN 0.509091 0.924242
12 IDY SUS 0.486486 0.893939
13 IDY GNX 0.415929 0.880597
14 BDP NPO GNS IDS GNS BDP GNS 0.414286 0.826667
Similar Ligands (3D)
Ligand no: 1; Ligand: IDS 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 : 3DY0; Ligand: IDS 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: 3dy0.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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