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 21 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 20 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 19 families.
1 4MXP Kd = 3.8 nM DB4 C17 H32 O16 P2 CCCC(=O)OC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DB4; Similar ligands found: 37
No: Ligand ECFP6 Tc MDL keys Tc
1 DB4 1 1
2 5P5 0.84127 1
3 PIB 0.84127 1
4 PBU 0.84127 1
5 PIF 0.728571 0.938776
6 PIO 0.631579 0.938776
7 52N 0.631579 0.938776
8 PII 0.608108 0.918367
9 3PI 0.60274 0.957447
10 IP9 0.589744 0.918367
11 PIZ 0.582278 0.918367
12 4PT 0.551282 0.9375
13 B7N 0.542169 0.9
14 T7X 0.5 0.9
15 44E 0.43662 0.795918
16 CN6 0.433735 0.76
17 PSF 0.43038 0.684211
18 PD7 0.424658 0.795918
19 CN3 0.423529 0.76
20 44G 0.423077 0.764706
21 F57 0.413333 0.795918
22 3PH 0.413333 0.795918
23 6PH 0.413333 0.795918
24 7PH 0.413333 0.795918
25 LPP 0.413333 0.795918
26 CD4 0.4125 0.76
27 P5S 0.409639 0.684211
28 7P9 0.407895 0.795918
29 PTY 0.407407 0.644068
30 8PE 0.407407 0.644068
31 PEV 0.407407 0.644068
32 PEH 0.407407 0.644068
33 PEF 0.407407 0.644068
34 9PE 0.402439 0.644068
35 PEE 0.402439 0.633333
36 LHG 0.402439 0.764706
37 PGT 0.402439 0.764706
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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