Receptor
PDB id Resolution Class Description Source Keywords
4K85 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN CERAMIDE-1-PHOSPHATE TRANSFER PRO (CPTP) IN COMPLEX WITH 12:0 CERAMIDE-1-PHOSPHATE (12:0-C1P) HOMO SAPIENS LIPID TRANSFER PROTEIN GLTP-FOLD CPTP C1P CERAMIDE-1-PHOPROTEIN-LIPID COMPLEX EICOSANOID LIPID TRANSPORT
Ref.: NON-VESICULAR TRAFFICKING BY A CERAMIDE-1-PHOSPHATE PROTEIN REGULATES EICOSANOIDS. NATURE V. 500 463 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PZ C:301;
A:301;
B:301;
D:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
561.774 C30 H60 N O6 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KBS 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN CERAMIDE-1-PHOSPHATE TRANSFER PRO (CPTP) IN COMPLEX WITH 12:0 PHOSPHATIDIC ACID (12:0 PA) HOMO SAPIENS LIPID TRANSFER PROTEIN GLTP-FOLD CPTP C1P CERAMIDE-1-PHOPROTEIN-LIPID COMPLEX EICOSANOID LIPID TRANSPORT
Ref.: NON-VESICULAR TRAFFICKING BY A CERAMIDE-1-PHOSPHATE PROTEIN REGULATES EICOSANOIDS. NATURE V. 500 463 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4KBS - PX2 C27 H52 O8 P CCCCCCCCCC....
2 4K85 - 1PZ C30 H60 N O6 P CCCCCCCCCC....
3 4K80 - 1PW C20 H40 N O6 P CCCCCCCCCC....
4 4K84 - 1PX C34 H68 N O6 P CCCCCCCCCC....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4KBS - PX2 C27 H52 O8 P CCCCCCCCCC....
2 4K85 - 1PZ C30 H60 N O6 P CCCCCCCCCC....
3 4K80 - 1PW C20 H40 N O6 P CCCCCCCCCC....
4 4K84 - 1PX C34 H68 N O6 P CCCCCCCCCC....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4KBS - PX2 C27 H52 O8 P CCCCCCCCCC....
2 4K85 - 1PZ C30 H60 N O6 P CCCCCCCCCC....
3 4K80 - 1PW C20 H40 N O6 P CCCCCCCCCC....
4 4K84 - 1PX C34 H68 N O6 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1PZ; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 1PX 1 1
2 1PZ 1 1
3 1PW 0.761905 0.980769
4 3XU 0.666667 0.822581
5 16C 0.666667 0.722222
6 SPL 0.666667 0.722222
7 18C 0.666667 0.722222
8 FO4 0.64557 0.822581
9 6CM 0.630769 0.722222
10 03F 0.546512 0.630769
11 S1P 0.529412 0.849057
12 EIS 0.522222 0.675676
13 SLF 0.522222 0.675676
14 2ED 0.507463 0.703704
15 CIS 0.505376 0.675676
16 BGC 18C GAL 0.494737 0.636364
17 0SG 0.484211 0.684932
18 NKP 0.460526 0.727273
19 LGN 0.456311 0.636364
20 IGC 0.456311 0.636364
21 D21 0.414634 0.727273
Similar Ligands (3D)
Ligand no: 1; Ligand: 1PZ; 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 : 4KBS; Ligand: PX2; 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: 4kbs.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4KBS; Ligand: PX2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4kbs.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
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