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 18 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 17 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 17 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: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 DB4 1 1
2 PBU 0.84127 1
3 5P5 0.84127 1
4 PIB 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 7PH 0.413333 0.795918
22 3PH 0.413333 0.795918
23 6PH 0.413333 0.795918
24 LPP 0.413333 0.795918
25 CD4 0.4125 0.76
26 P5S 0.409639 0.684211
27 7P9 0.407895 0.795918
28 8PE 0.407407 0.644068
29 PEH 0.407407 0.644068
30 PEV 0.407407 0.644068
31 PEF 0.407407 0.644068
32 PTY 0.407407 0.644068
33 PGT 0.402439 0.764706
34 9PE 0.402439 0.644068
35 PEE 0.402439 0.633333
36 LHG 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: 35
This union binding pocket(no: 1) in the query (biounit: 4mxp.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2AWN ADP 0.006186 0.42971 1.52439
2 3EYA FAD 0.01831 0.41208 1.82927
3 2RHO GSP 0.01457 0.40452 1.84615
4 2PW0 TRC 0.02527 0.40013 2.13415
5 1RQ2 CIT 0.008248 0.41306 2.35602
6 3CV2 OXL 0.02391 0.40638 2.43902
7 4D52 GXL 0.01194 0.408 2.53968
8 2ZAT NAP 0.015 0.41064 2.69231
9 4L80 OXL 0.02145 0.40798 2.7439
10 5K8B PDG 0.006986 0.41644 3.04878
11 5N53 8NB 0.008691 0.42033 3.07692
12 1OFU GDP 0.01123 0.4034 3.36134
13 5XDT MB3 0.02579 0.4026 3.57143
14 2VAP GDP 0.009888 0.41812 3.65854
15 2DHC DCE 0.005968 0.43078 3.87097
16 3B4Y F42 0.004609 0.42489 4.26829
17 1SKQ GDP 0.009262 0.41182 4.26829
18 1QO8 FAD 0.02741 0.4099 4.26829
19 3FC4 EDO 0.04884 0.40447 4.57317
20 3NOJ PYR 0.01558 0.40591 4.62185
21 3NHB ADP 0.01304 0.41205 4.87805
22 4EUE NAI 0.02194 0.40494 4.87805
23 5CDH TLA 0.02804 0.40289 5.79268
24 1D8C GLV 0.006066 0.44015 6.09756
25 1P7T PYR 0.01038 0.42787 6.40244
26 1VBO MAN MAN MAN 0.01711 0.40032 6.71141
27 3HRD MCN 0.0156 0.41443 6.75676
28 1N62 MCN 0.004253 0.44442 7.0122
29 5FJJ MAN 0.01168 0.41455 7.0122
30 1W0J ADP BEF 0.011 0.4038 7.0122
31 1W1G 4PT 0.03809 0.4064 9.27152
32 1GXU 2HP 0.04613 0.4018 9.89011
33 5E5U MLI 0.01804 0.42936 10.5528
34 2WJG GDP 0.01377 0.40341 14.3617
35 2V7Q ADP 0.003665 0.40486 18.1818
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