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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(...
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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: 89
This union binding pocket(no: 1) in the query (biounit: 4mxp.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1XXA ARG None
2 1Z2I NAD 0.609756
3 2AWN ADP 1.52439
4 3EYA FAD 1.82927
5 2RHO GSP 1.84615
6 2PW0 TRC 2.13415
7 5NM7 GLY 2.25564
8 4GN8 ASO 2.34114
9 1RQ2 CIT 2.35602
10 2O0J ADP 2.43902
11 3CV2 OXL 2.43902
12 1Q19 SSC 2.43902
13 6F97 FAD 2.43902
14 4D52 GXL 2.53968
15 5WBF LAC 2.59259
16 6BE0 COA 2.64901
17 2ZAT NAP 2.69231
18 4B5W PYR 2.73438
19 4L80 OXL 2.7439
20 4REP FAD 3.04878
21 5K8B PDG 3.04878
22 1IZC PYR 3.04878
23 5N53 8NB 3.07692
24 1XF1 CIT 3.35366
25 1OFU GDP 3.36134
26 6APL C5P 3.47594
27 5XDT MB3 3.57143
28 4ZOH MCN 3.59712
29 1RRC ADP 3.65448
30 2VAP GDP 3.65854
31 2GZ3 NAP 3.65854
32 1R27 MGD 3.65854
33 1FFU CDP 3.68098
34 2DHC DCE 3.87097
35 3WCA FPS 3.96341
36 3B4Y F42 4.26829
37 1SKQ GDP 4.26829
38 1QO8 FAD 4.26829
39 5T2U NAP 4.43548
40 1FWV SGA MAG FUC 4.47761
41 2PYW ADP 4.57317
42 3FC4 EDO 4.57317
43 3NOJ PYR 4.62185
44 3NHB ADP 4.87805
45 4EUE NAI 4.87805
46 1MJT ITU 4.87805
47 1RM6 PCD 4.96894
48 6F9G PUT 4.98442
49 5XVG 8FX 5.11945
50 4CSD MFU 5.14706
51 1RHC F42 ACN 5.18293
52 1RP0 AHZ 5.28169
53 4NTO 1PW 5.31401
54 2GNK ATP 5.35714
55 1HSL HIS 5.46218
56 6FU4 HSM 5.4878
57 1T3Q MCN 5.55556
58 2V5K OXM 5.57491
59 2VWT PYR 5.61798
60 5ZI9 FLC 5.76923
61 5CDH TLA 5.79268
62 1D8C GLV 6.09756
63 4K26 SFF 6.09756
64 2CFC NAD 6.4
65 1P7T PYR 6.40244
66 1VBO MAN MAN MAN 6.71141
67 3HRD MCN 6.75676
68 1N62 MCN 7.0122
69 5FJJ MAN 7.0122
70 6C90 ADP 7.0122
71 1W0J ADP BEF 7.0122
72 5NXX 3Q7 7.31707
73 1TD2 PXL 8.01394
74 5OJI ISN 8.07692
75 5OJI NAP 8.07692
76 2AF6 BRU 8.52713
77 4Z7X 3CX 8.82353
78 2V92 ATP 9.1954
79 1W1G 4PT 9.27152
80 1D6H COA 9.45122
81 4HZ0 1AV 9.85915
82 1GXU 2HP 9.89011
83 5E5U MLI 10.5528
84 2D2F ADP 11.2
85 5WHU SIA GAL GLC 11.4094
86 5WHU SIA 11.4094
87 2WJG GDP 14.3617
88 3ZIA ADP 17.4603
89 2V7Q ADP 18.1818
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