Receptor
PDB id Resolution Class Description Source Keywords
4K84 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN CERAMIDE-1-PHOSPHATE TRANSFER PRO (CPTP) IN COMPLEX WITH 16:0 CERAMIDE-1-PHOSPHATE (16:0-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
1PX A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
617.881 C34 H68 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 1256 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 1068 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 922 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
Ligand no: 1; Ligand: 1PX; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 1PZ 1 1
2 1PX 1 1
3 1PW 0.761905 0.980769
4 3XU 0.666667 0.822581
5 SPL 0.666667 0.722222
6 18C 0.666667 0.722222
7 16C 0.666667 0.722222
8 6CM 0.630769 0.722222
9 03F 0.546512 0.630769
10 S1P 0.529412 0.849057
11 EIS 0.522222 0.675676
12 SLF 0.522222 0.675676
13 2ED 0.507463 0.703704
14 CIS 0.505376 0.675676
15 BGC 18C GAL 0.494737 0.636364
16 0SG 0.484211 0.684932
17 NKP 0.460526 0.727273
18 IGC 0.456311 0.636364
19 LGN 0.456311 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KBS; Ligand: PX2; Similar sites found: 3
This union binding pocket(no: 1) in the query (biounit: 4kbs.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EW9 5VC 0.02418 0.40536 1.86047
2 1ZOY UQ1 0.005827 0.45187 9.28571
3 2EVL GAL SPH EIC 0.00000002828 0.6211 35.8852
4 4DK7 0KS 0.006158 0.41957 50
Pocket No.: 2; Query (leader) PDB : 4KBS; Ligand: PX2; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 4kbs.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5N53 8NB 0.01998 0.42521 4.61538
2 4XCP PLM 0.04329 0.40591 5.29412
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