Receptor
PDB id Resolution Class Description Source Keywords
3OV6 2.5 Å NON-ENZYME: TRANSPORT CD1C IN COMPLEX WITH MPM (MANNOSYL-BETA1-PHOSPHOMYCOKETIDE) HOMO SAPIENS MHC IMMUNOGLOBULIN DOMAIN IMMUNE SYSTEM ANTIGEN PRESENTAT
Ref.: THE 2.5 A STRUCTURE OF CD1C IN COMPLEX WITH A MYCOB LIPID REVEALS AN OPEN GROOVE IDEALLY SUITED FOR DIV ANTIGEN PRESENTATION IMMUNITY V. 33 853 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D12 A:1104;
 Invalid;
 none;
 submit data
170.335 C12 H26 CCCCC...
MK0 A:1105;
 Valid;
 none;
 submit data
708.986 C38 H77 O9 P CCCCC...
NAG A:1;
 Part of Protein;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OV6 2.5 Å NON-ENZYME: TRANSPORT CD1C IN COMPLEX WITH MPM (MANNOSYL-BETA1-PHOSPHOMYCOKETIDE) HOMO SAPIENS MHC IMMUNOGLOBULIN DOMAIN IMMUNE SYSTEM ANTIGEN PRESENTAT
Ref.: THE 2.5 A STRUCTURE OF CD1C IN COMPLEX WITH A MYCOB LIPID REVEALS AN OPEN GROOVE IDEALLY SUITED FOR DIV ANTIGEN PRESENTATION IMMUNITY V. 33 853 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 3OV6 - MK0 C38 H77 O9 P CCCCCCC[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 3OV6 - MK0 C38 H77 O9 P CCCCCCC[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 3OV6 - MK0 C38 H77 O9 P CCCCCCC[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MK0; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 MK0 1 1
2 B7G 0.426667 0.784314
3 KGM 0.426667 0.784314
4 HSJ 0.421053 0.784314
5 BOG 0.421053 0.784314
6 BNG 0.421053 0.784314
7 G1P 0.42029 0.75
8 M1P 0.42029 0.75
9 GL1 0.42029 0.75
10 XGP 0.42029 0.75
11 Z69 0.417391 0.962264
12 HEX GLC 0.413333 0.764706
13 JZR 0.413333 0.764706
14 BHG 0.413333 0.764706
15 L6T 0.4 0.773585
Similar Ligands (3D)
Ligand no: 1; Ligand: MK0; 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 : 3OV6; Ligand: MK0; 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: 3ov6.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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