Receptor
PDB id Resolution Class Description Source Keywords
2E2X 2.5 Å NON-ENZYME: OTHER SEC14 HOMOLOGY MODULE OF NEUROFIBROMIN IN COMPLEX WITH PHOSPHATITYLETHANOLAMINE HOMO SAPIENS SEC14 PH SUPERFOLD PE CRAL-TRIO DOMAIN SIGNALING PROTEIN
Ref.: THE SEC14 HOMOLOGY MODULE OF NEUROFIBROMIN BINDS CELLULAR GLYCEROPHOSPHOLIPIDS: MASS SPECTROMETRY AND STRUCTURE OF A LIPID COMPLEX J.MOL.BIOL. V. 366 551 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEV A:400;
B:500;
Valid;
Valid;
none;
none;
submit data
720.012 C39 H78 N O8 P CCCCC...
POP B:601;
B:602;
Invalid;
Invalid;
none;
none;
submit data
175.959 H2 O7 P2 O[P@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PG7 2.19 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE H. SAPIENS NF1 SEC-PH DOMAIN (DEL17 HOMO SAPIENS SEC LIPID BINDING DOMAIN PH DOMAIN LIPID BINDING PROTEIN
Ref.: STRUCTURAL AND BIOCHEMICAL CONSEQUENCES OF NF1 ASSO NONTRUNCATING MUTATIONS IN THE SEC14-PH MODULE OF NEUROFIBROMIN. HUM.MUTAT. V. 32 191 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2E2X - PEV C39 H78 N O8 P CCCCCCCCCC....
2 3PG7 - PTY C40 H80 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 1068 families.
1 2E2X - PEV C39 H78 N O8 P CCCCCCCCCC....
2 3PG7 - PTY C40 H80 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 922 families.
1 2E2X - PEV C39 H78 N O8 P CCCCCCCCCC....
2 3PG7 - PTY C40 H80 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEV; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 PEV 1 1
2 PEF 1 1
3 8PE 1 1
4 PTY 1 1
5 PEH 1 1
6 9PE 0.983051 1
7 L9Q 0.865672 0.980769
8 LOP 0.865672 0.980769
9 ZPE 0.814286 0.980769
10 HGX 0.80303 0.793103
11 PLD 0.80303 0.793103
12 LIO 0.80303 0.793103
13 HGP 0.80303 0.793103
14 6PL 0.80303 0.793103
15 PC7 0.80303 0.793103
16 PEE 0.8 0.980769
17 GP7 0.773333 0.980769
18 PEK 0.77027 0.980769
19 CD4 0.769231 0.823529
20 P5S 0.75 0.90566
21 LHG 0.746269 0.826923
22 XP5 0.746269 0.793103
23 PGT 0.746269 0.826923
24 3PH 0.714286 0.788462
25 LPP 0.714286 0.788462
26 6PH 0.714286 0.788462
27 7PH 0.714286 0.788462
28 PCW 0.706667 0.779661
29 PX2 0.703125 0.769231
30 7P9 0.703125 0.788462
31 PCK 0.688312 0.754098
32 CN3 0.684932 0.823529
33 PGW 0.657895 0.811321
34 CN6 0.657534 0.823529
35 PII 0.657534 0.706897
36 PD7 0.65625 0.788462
37 PGV 0.649351 0.811321
38 DR9 0.649351 0.811321
39 EPH 0.647059 0.980769
40 PSC 0.646341 0.779661
41 PSF 0.642857 0.90566
42 P6L 0.641026 0.811321
43 PGK 0.641026 0.781818
44 44G 0.637681 0.826923
45 8ND 0.636364 0.730769
46 CDL 0.633803 0.75
47 OZ2 0.632911 0.811321
48 M7U 0.625 0.788462
49 PIF 0.618421 0.694915
50 DGG 0.617284 0.781818
51 3PE 0.616438 0.884615
52 PIZ 0.607595 0.706897
53 MC3 0.6 0.724138
54 44E 0.6 0.788462
55 PC1 0.6 0.724138
56 PCF 0.6 0.724138
57 52N 0.594937 0.694915
58 IP9 0.594937 0.706897
59 PIO 0.594937 0.694915
60 B7N 0.585366 0.694915
61 PDK 0.577778 0.833333
62 AGA 0.565789 0.792453
63 DGA 0.553846 0.607843
64 DDR 0.553846 0.607843
65 L2C 0.553846 0.607843
66 PIE 0.541176 0.65
67 T7X 0.539326 0.694915
68 L9R 0.535714 0.711864
69 LAP 0.533333 0.827586
70 LP3 0.533333 0.827586
71 LPC 0.533333 0.827586
72 P3A 0.523256 0.777778
73 NKN 0.492754 0.788462
74 42H 0.47619 0.813559
75 DLP 0.472527 0.711864
76 CN5 0.468354 0.843137
77 S12 0.447059 0.87037
78 PC5 0.443038 0.645161
79 NKP 0.435897 0.773585
80 3PC 0.421687 0.706897
81 GEL 0.421687 0.942308
82 PCJ 0.413793 0.672414
83 PGM 0.410256 0.773585
84 DB4 0.407407 0.644068
85 PBU 0.404762 0.644068
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PG7; Ligand: PTY; Similar sites found: 11
This union binding pocket(no: 1) in the query (biounit: 3pg7.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1AUA BOG 0.001159 0.48588 2.34375
2 1R5L VIV 0.0001385 0.43194 2.34375
3 1O6U PLM 0.0001362 0.40172 3.90625
4 5UWA 8ND 0.003186 0.40114 3.94089
5 1EPB REA 0.001992 0.4486 6.70732
6 4AMW 5DI 0.04059 0.40437 7.03125
7 1GUI BGC BGC BGC BGC BGC BGC 0.03709 0.40568 7.09677
8 2ZHL NAG GAL GAL NAG 0.0276 0.40113 7.43243
9 1OLM VTQ 0.0002128 0.43362 8.59375
10 4OPC PGT 0.01312 0.42148 8.98438
11 4OPC FDA 0.03038 0.40246 8.98438
Pocket No.: 2; Query (leader) PDB : 3PG7; Ligand: PTY; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 3pg7.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ML3 DL3 0.005178 0.40042 2.68456
2 3VQ2 LP4 LP5 MYR DAO 0.005989 0.40311 3.125
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