Receptor
PDB id Resolution Class Description Source Keywords
1BP1 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BPI, THE HUMAN BACTERICIDAL PERMEABILITY-INCREASING PROTEIN HOMO SAPIENS BACTERICIDAL PERMEABILITY-INCREASING LIPID-BINDING LIPOPOLYSACCHARIDE-BINDING ANTIBIOTIC
Ref.: CRYSTAL STRUCTURE OF HUMAN BPI AND TWO BOUND PHOSPHOLIPIDS AT 2.4 ANGSTROM RESOLUTION. SCIENCE V. 276 1861 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PC1 A:777;
A:778;
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 1443 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 1205 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 1039 families.
1 1EWF - PC1 C44 H88 N O8 P CCCCCCCCCC....
2 1BP1 - PC1 C44 H88 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PC1; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 PC1 1 1
2 PCF 1 1
3 MC3 1 1
4 POV 0.873239 0.98
5 L9R 0.873239 0.98
6 DLP 0.769231 0.98
7 3PE 0.768116 0.811321
8 PLD 0.732394 0.924528
9 HGP 0.732394 0.924528
10 LIO 0.732394 0.924528
11 HGX 0.732394 0.924528
12 PC7 0.732394 0.924528
13 6PL 0.732394 0.924528
14 CDL 0.714286 0.745098
15 XP5 0.680556 0.924528
16 PX2 0.661765 0.730769
17 PX8 0.661765 0.730769
18 PCW 0.65 0.907407
19 AGA 0.64 0.690909
20 PCK 0.634146 0.875
21 3PH 0.623188 0.685185
22 LPP 0.623188 0.685185
23 F57 0.623188 0.685185
24 7PH 0.623188 0.685185
25 6PH 0.623188 0.685185
26 7P9 0.614286 0.685185
27 PEV 0.6 0.724138
28 8PE 0.6 0.724138
29 PEF 0.6 0.724138
30 PEH 0.6 0.724138
31 PTY 0.6 0.724138
32 PSC 0.597701 0.907407
33 9PE 0.592105 0.724138
34 P3A 0.588235 0.678571
35 PEE 0.571429 0.741379
36 PD7 0.571429 0.685185
37 CD4 0.565789 0.685185
38 3PC 0.564103 0.979592
39 8ND 0.555556 0.62963
40 PIE 0.551724 0.644068
41 PFS 0.551282 1
42 LHG 0.551282 0.660714
43 M7U 0.551282 0.685185
44 D21 0.551282 0.672727
45 PGT 0.551282 0.660714
46 P5S 0.5375 0.706897
47 LOP 0.535714 0.711864
48 L9Q 0.535714 0.711864
49 6OU 0.535714 0.711864
50 PC5 0.532468 0.886792
51 LAP 0.525641 0.890909
52 LP3 0.525641 0.890909
53 LPC 0.525641 0.890909
54 PII 0.52439 0.616667
55 PIZ 0.523256 0.616667
56 44E 0.521127 0.685185
57 CN3 0.511905 0.685185
58 PIF 0.511905 0.606557
59 IP9 0.511628 0.616667
60 ZPE 0.505747 0.711864
61 GP7 0.505495 0.711864
62 PIO 0.494253 0.606557
63 D3D 0.494253 0.649123
64 52N 0.494253 0.606557
65 PGW 0.494253 0.649123
66 DR9 0.488636 0.649123
67 PGV 0.488636 0.649123
68 CN6 0.488095 0.685185
69 PEK 0.483516 0.711864
70 PGK 0.483146 0.627119
71 P6L 0.483146 0.649123
72 OZ2 0.477778 0.649123
73 P50 0.477778 0.706897
74 B7N 0.472527 0.606557
75 42H 0.471264 0.875
76 P42 0.470588 0.87037
77 DPV 0.470588 0.877551
78 DGG 0.467391 0.627119
79 44G 0.4625 0.660714
80 PGM 0.461538 0.672727
81 PSF 0.451219 0.706897
82 EPH 0.44 0.711864
83 PDK 0.431373 0.714286
84 T7X 0.424242 0.606557
85 OCB 0.413333 0.788462
86 NKO 0.407895 0.654545
87 NKN 0.407895 0.654545
88 43Y 0.405063 0.886792
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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