Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PX2 A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
535.671 C27 H52 O8 P CCCCC...
EDO B:303;
B:302;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
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 1579 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 1312 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 1130 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: PX2; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 PX8 1 1
2 PX2 1 1
3 PA8 0.980392 1
4 7PH 0.803571 0.930233
5 LPP 0.803571 0.930233
6 F57 0.803571 0.930233
7 6PH 0.803571 0.930233
8 3PH 0.803571 0.930233
9 7P9 0.789474 0.930233
10 CD4 0.741935 0.930233
11 PD7 0.736842 0.930233
12 TGL 0.730769 0.707317
13 CDL 0.730159 0.928571
14 PEF 0.703125 0.769231
15 PEV 0.703125 0.769231
16 PEH 0.703125 0.769231
17 8PE 0.703125 0.769231
18 PTY 0.703125 0.769231
19 PGT 0.692308 0.888889
20 M7U 0.692308 0.930233
21 LHG 0.692308 0.888889
22 D21 0.692308 0.909091
23 PEE 0.692308 0.788462
24 9PE 0.692308 0.769231
25 3PE 0.681818 0.76
26 44E 0.672414 0.930233
27 HGX 0.671642 0.773585
28 PX4 0.671642 0.773585
29 P5S 0.671642 0.784314
30 HGP 0.671642 0.773585
31 LIO 0.671642 0.773585
32 6PL 0.671642 0.773585
33 PC7 0.671642 0.773585
34 PLD 0.671642 0.773585
35 PC1 0.661765 0.730769
36 PCF 0.661765 0.730769
37 MC3 0.661765 0.730769
38 CN3 0.657143 0.930233
39 PII 0.652174 0.816327
40 AGA 0.647059 0.888889
41 CN6 0.628571 0.930233
42 DDR 0.62069 0.714286
43 L2C 0.62069 0.714286
44 DGA 0.62069 0.714286
45 1EM 0.62069 0.714286
46 FAW 0.62069 0.714286
47 XP5 0.617647 0.773585
48 6OU 0.616438 0.754717
49 L9Q 0.616438 0.754717
50 LOP 0.616438 0.754717
51 PIF 0.611111 0.8
52 PGW 0.608108 0.869565
53 D3D 0.608108 0.869565
54 PGV 0.6 0.869565
55 DR9 0.6 0.869565
56 PIZ 0.6 0.816327
57 P6L 0.592105 0.869565
58 PCW 0.592105 0.759259
59 PGK 0.592105 0.833333
60 PIE 0.589744 0.78
61 P3A 0.589744 0.869565
62 52N 0.586667 0.8
63 IP9 0.586667 0.816327
64 PIO 0.586667 0.8
65 L9R 0.584416 0.716981
66 P50 0.584416 0.784314
67 POV 0.584416 0.716981
68 OZ2 0.584416 0.869565
69 44G 0.58209 0.888889
70 ZPE 0.578947 0.754717
71 PCK 0.576923 0.732143
72 B7N 0.576923 0.8
73 DGG 0.56962 0.833333
74 HXG 0.565217 0.773585
75 PSF 0.565217 0.784314
76 GP7 0.555556 0.754717
77 LBR 0.553846 0.659091
78 PEK 0.55 0.754717
79 PSC 0.542169 0.759259
80 NKN 0.52381 0.886364
81 NKO 0.52381 0.886364
82 G2A 0.517857 0.636364
83 2JT 0.517857 0.636364
84 PDK 0.516854 0.666667
85 DLP 0.511905 0.716981
86 T7X 0.511628 0.8
87 PGM 0.492754 0.866667
88 1QW 0.483333 0.622222
89 GYM 0.483333 0.622222
90 BQ9 0.48 0.697674
91 LPC 0.479452 0.745455
92 LAP 0.479452 0.745455
93 LP3 0.479452 0.745455
94 EPH 0.461538 0.754717
95 3PC 0.460526 0.711538
96 NKP 0.458333 0.866667
97 DAO FTT 0.439394 0.609756
98 CN5 0.434211 0.909091
99 42H 0.426829 0.732143
100 PC5 0.426667 0.642857
101 87O 0.423729 0.75
102 PVC 0.42029 0.604167
103 OLB 0.42029 0.608696
104 OLC 0.42029 0.608696
105 OCB 0.41791 0.603774
106 S12 0.414634 0.75
107 MVC 0.4 0.608696
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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