Receptor
PDB id Resolution Class Description Source Keywords
1EWF 1.7 Å NON-ENZYME: OTHER THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI HOMO SAPIENS BACTERICIDAL PERMEABILITY-INCREASING LIPID-BINDING LIPOPOLYSACCHARIDE-BINDING ANTIBIOTIC
Ref.: THE 1.7 A CRYSTAL STRUCTURE OF BPI: A STUDY OF HOW DISSIMILAR AMINO ACID SEQUENCES CAN ADOPT THE SAME J.MOL.BIOL. V. 299 1019 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PC1 A:577;
A:578;
Valid;
Valid;
none;
none;
submit data
790.145 C44 H88 N O8 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EWF 1.7 Å NON-ENZYME: OTHER THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI HOMO SAPIENS BACTERICIDAL PERMEABILITY-INCREASING LIPID-BINDING LIPOPOLYSACCHARIDE-BINDING ANTIBIOTIC
Ref.: THE 1.7 A CRYSTAL STRUCTURE OF BPI: A STUDY OF HOW DISSIMILAR AMINO ACID SEQUENCES CAN ADOPT THE SAME J.MOL.BIOL. V. 299 1019 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 1EWF - PC1 C44 H88 N O8 P CCCCCCCCCC....
2 1BP1 - PC1 C44 H88 N O8 P CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 1EWF - PC1 C44 H88 N O8 P CCCCCCCCCC....
2 1BP1 - PC1 C44 H88 N O8 P CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 1EWF - PC1 C44 H88 N O8 P CCCCCCCCCC....
2 1BP1 - PC1 C44 H88 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PC1; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 PC1 1 1
2 PCF 1 1
3 MC3 1 1
4 L9R 0.873239 0.98
5 LBN 0.873239 0.98
6 POV 0.873239 0.98
7 DLP 0.769231 0.98
8 6PL 0.732394 0.924528
9 LIO 0.732394 0.924528
10 HGX 0.732394 0.924528
11 PLD 0.732394 0.924528
12 PC7 0.732394 0.924528
13 PX4 0.732394 0.924528
14 HGP 0.732394 0.924528
15 CDL 0.714286 0.745098
16 XP5 0.680556 0.924528
17 PG8 0.680556 0.690909
18 PX8 0.661765 0.730769
19 PX2 0.661765 0.730769
20 PCW 0.65 0.907407
21 PA8 0.647059 0.730769
22 AGA 0.64 0.690909
23 PCK 0.634146 0.875
24 HXG 0.630137 0.924528
25 F57 0.623188 0.685185
26 3PH 0.623188 0.685185
27 6PH 0.623188 0.685185
28 7PH 0.623188 0.685185
29 LPP 0.623188 0.685185
30 7P9 0.614286 0.685185
31 PEH 0.6 0.724138
32 8PE 0.6 0.724138
33 PTY 0.6 0.724138
34 3PE 0.6 0.724138
35 PEF 0.6 0.724138
36 PEV 0.6 0.724138
37 PSC 0.597701 0.907407
38 9PE 0.592105 0.724138
39 P3A 0.588235 0.678571
40 PEE 0.571429 0.741379
41 PD7 0.571429 0.685185
42 CD4 0.565789 0.685185
43 3PC 0.564103 0.979592
44 8ND 0.555556 0.62963
45 PIE 0.551724 0.644068
46 PFS 0.551282 1
47 PGT 0.551282 0.660714
48 LHG 0.551282 0.660714
49 M7U 0.551282 0.685185
50 D21 0.551282 0.672727
51 P5S 0.5375 0.706897
52 LOP 0.535714 0.711864
53 6OU 0.535714 0.711864
54 L9Q 0.535714 0.711864
55 PC5 0.532468 0.886792
56 RXY 0.529412 0.711864
57 LP3 0.525641 0.890909
58 LPC 0.525641 0.890909
59 K6G 0.525641 0.890909
60 LAP 0.525641 0.890909
61 8SP 0.525 0.706897
62 PII 0.52439 0.616667
63 PIZ 0.523256 0.616667
64 44E 0.521127 0.685185
65 CN3 0.511905 0.685185
66 PIF 0.511905 0.606557
67 IP9 0.511628 0.616667
68 ZPE 0.505747 0.711864
69 GP7 0.505495 0.711864
70 PIO 0.494253 0.606557
71 PGW 0.494253 0.649123
72 52N 0.494253 0.606557
73 D3D 0.494253 0.649123
74 DR9 0.488636 0.649123
75 PGV 0.488636 0.649123
76 CN6 0.488095 0.685185
77 PEK 0.483516 0.711864
78 PGK 0.483146 0.627119
79 P6L 0.483146 0.649123
80 P50 0.477778 0.706897
81 OZ2 0.477778 0.649123
82 B7N 0.472527 0.606557
83 42H 0.471264 0.875
84 DPV 0.470588 0.877551
85 P42 0.470588 0.87037
86 DGG 0.467391 0.627119
87 44G 0.4625 0.660714
88 PGM 0.461538 0.672727
89 PSF 0.451219 0.706897
90 EPH 0.44 0.711864
91 PDK 0.431373 0.714286
92 T7X 0.424242 0.606557
93 LPX 0.414634 0.706897
94 OCB 0.413333 0.788462
95 NKO 0.407895 0.654545
96 NKN 0.407895 0.654545
97 43Y 0.405063 0.886792
Similar Ligands (3D)
Ligand no: 1; Ligand: PC1; 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 : 1EWF; Ligand: PC1; 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: 1ewf.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1EWF; Ligand: PC1; 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: 1ewf.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
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