Receptor
PDB id Resolution Class Description Source Keywords
1NL2 2.3 Å EC: 3.4.21.5 BOVINE PROTHROMBIN FRAGMENT 1 IN COMPLEX WITH CALCIUM AND LYSOPHOSPHOTIDYLSERINE BOS TAURUS HYDROLASE
Ref.: STRUCTURAL BASIS OF MEMBRANE BINDING BY GLA DOMAINS VITAMIN K-DEPENDENT PROTEINS. NAT.STRUCT.BIOL. V. 10 751 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:201;
A:202;
A:203;
A:204;
A:205;
A:206;
A:207;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL A:250;
A:251;
A:252;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
LPS A:451;
Valid;
none;
submit data
485.549 C21 H44 N O9 P CCCCC...
NAG A:303;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG B:1;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NL2 2.3 Å EC: 3.4.21.5 BOVINE PROTHROMBIN FRAGMENT 1 IN COMPLEX WITH CALCIUM AND LYSOPHOSPHOTIDYLSERINE BOS TAURUS HYDROLASE
Ref.: STRUCTURAL BASIS OF MEMBRANE BINDING BY GLA DOMAINS VITAMIN K-DEPENDENT PROTEINS. NAT.STRUCT.BIOL. V. 10 751 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1NL2 - LPS C21 H44 N O9 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1NL2 - LPS C21 H44 N O9 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1NL2 - LPS C21 H44 N O9 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LPS; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 LPS 1 1
2 S12 0.538462 0.960784
3 GSE 0.516667 0.784314
4 P5S 0.487179 0.960784
5 8SP 0.474359 0.960784
6 PSF 0.417722 0.960784
7 CD4 0.417722 0.803922
8 LPX 0.415584 0.923077
Similar Ligands (3D)
Ligand no: 1; Ligand: LPS; 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 : 1NL2; Ligand: LPS; 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: 1nl2.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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