Receptor
PDB id Resolution Class Description Source Keywords
4MXP 1.83 Å EC: 2.7.7.- STRUCTURAL BASIS FOR PI(4)P-SPECIFIC MEMBRANE RECRUITMENT OF LEGIONELLA PNEUMOPHILA EFFECTOR DRRA/SIDM LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPHORGANISM_TAXID: 272624 PROTEIN-LIPID COMPLEX GUANINE NUCLEOTIDE EXCHANGE FACTOR RBINDING PI(4)P-BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR PI(4)P-SPECIFIC MEMBRANE RECRU THE LEGIONELLA PNEUMOPHILA EFFECTOR DRRA/SIDM. STRUCTURE V. 22 397 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:702;
Part of Protein;
none;
submit data
22.99 Na [Na+]
DB4 A:701;
Valid;
none;
Kd = 3.8 nM
554.374 C17 H32 O16 P2 CCCC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MXP 1.83 Å EC: 2.7.7.- STRUCTURAL BASIS FOR PI(4)P-SPECIFIC MEMBRANE RECRUITMENT OF LEGIONELLA PNEUMOPHILA EFFECTOR DRRA/SIDM LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPHORGANISM_TAXID: 272624 PROTEIN-LIPID COMPLEX GUANINE NUCLEOTIDE EXCHANGE FACTOR RBINDING PI(4)P-BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR PI(4)P-SPECIFIC MEMBRANE RECRU THE LEGIONELLA PNEUMOPHILA EFFECTOR DRRA/SIDM. STRUCTURE V. 22 397 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 4MXP Kd = 3.8 nM DB4 C17 H32 O16 P2 CCCC(=O)OC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 4MXP Kd = 3.8 nM DB4 C17 H32 O16 P2 CCCC(=O)OC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4MXP Kd = 3.8 nM DB4 C17 H32 O16 P2 CCCC(=O)OC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DB4; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 DB4 1 1
2 I35 0.866667 0.978261
3 PBU 0.84127 1
4 5P5 0.84127 1
5 PIB 0.84127 1
6 PIF 0.728571 0.938776
7 52N 0.631579 0.938776
8 PIO 0.631579 0.938776
9 PII 0.608108 0.918367
10 3PI 0.60274 0.957447
11 IP9 0.589744 0.918367
12 PIZ 0.582278 0.918367
13 4PT 0.551282 0.9375
14 B7N 0.542169 0.9
15 T7X 0.5 0.9
16 44E 0.43662 0.795918
17 CN6 0.433735 0.76
18 PSF 0.43038 0.684211
19 PD7 0.424658 0.795918
20 CN3 0.423529 0.76
21 44G 0.423077 0.764706
22 8SP 0.414634 0.684211
23 7PH 0.413333 0.795918
24 3PH 0.413333 0.795918
25 6PH 0.413333 0.795918
26 LPP 0.413333 0.795918
27 F57 0.413333 0.795918
28 CD4 0.4125 0.76
29 P5S 0.409639 0.684211
30 7P9 0.407895 0.795918
31 PEH 0.407407 0.644068
32 PEF 0.407407 0.644068
33 3PE 0.407407 0.644068
34 8PE 0.407407 0.644068
35 PTY 0.407407 0.644068
36 PEV 0.407407 0.644068
37 LHG 0.402439 0.764706
38 9PE 0.402439 0.644068
39 PGT 0.402439 0.764706
40 PEE 0.402439 0.633333
Similar Ligands (3D)
Ligand no: 1; Ligand: DB4; 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 : 4MXP; Ligand: DB4; 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: 4mxp.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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