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 1610 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 1331 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 1144 families.
1 2E2X - PEV C39 H78 N O8 P CCCCCCCCCC....
2 3PG7 - PTY C40 H80 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PEV; Similar ligands found: 106
No: Ligand ECFP6 Tc MDL keys Tc
1 PEF 1 1
2 3PE 1 1
3 PEV 1 1
4 PTY 1 1
5 8PE 1 1
6 PEH 1 1
7 9PE 0.983051 1
8 6OU 0.865672 0.980769
9 L9Q 0.865672 0.980769
10 LOP 0.865672 0.980769
11 RXY 0.852941 0.980769
12 ZPE 0.814286 0.980769
13 PX4 0.80303 0.793103
14 6PL 0.80303 0.793103
15 HGX 0.80303 0.793103
16 PLD 0.80303 0.793103
17 LIO 0.80303 0.793103
18 PC7 0.80303 0.793103
19 HGP 0.80303 0.793103
20 PEE 0.8 0.980769
21 GP7 0.773333 0.980769
22 PEK 0.77027 0.980769
23 CD4 0.769231 0.823529
24 P5S 0.75 0.90566
25 PGT 0.746269 0.826923
26 XP5 0.746269 0.793103
27 LHG 0.746269 0.826923
28 8SP 0.735294 0.90566
29 6PH 0.714286 0.788462
30 3PH 0.714286 0.788462
31 7PH 0.714286 0.788462
32 F57 0.714286 0.788462
33 LPP 0.714286 0.788462
34 PCW 0.706667 0.779661
35 7P9 0.703125 0.788462
36 PX2 0.703125 0.769231
37 PX8 0.703125 0.769231
38 HXG 0.691176 0.793103
39 PCK 0.688312 0.754098
40 PA8 0.6875 0.769231
41 CN3 0.684932 0.823529
42 LPX 0.671642 0.980392
43 D3D 0.657895 0.811321
44 PGW 0.657895 0.811321
45 PII 0.657534 0.706897
46 CN6 0.657534 0.823529
47 PD7 0.65625 0.788462
48 P50 0.653846 0.90566
49 DR9 0.649351 0.811321
50 PGV 0.649351 0.811321
51 EPH 0.647059 0.980769
52 PSC 0.646341 0.779661
53 PSF 0.642857 0.90566
54 P6L 0.641026 0.811321
55 PGK 0.641026 0.781818
56 44G 0.637681 0.826923
57 8ND 0.636364 0.730769
58 CDL 0.633803 0.75
59 OZ2 0.632911 0.811321
60 D21 0.625 0.773585
61 M7U 0.625 0.788462
62 PIF 0.618421 0.694915
63 DGG 0.617284 0.781818
64 PIZ 0.607595 0.706897
65 PG8 0.60274 0.792453
66 MC3 0.6 0.724138
67 PCF 0.6 0.724138
68 44E 0.6 0.788462
69 PC1 0.6 0.724138
70 PIO 0.594937 0.694915
71 52N 0.594937 0.694915
72 IP9 0.594937 0.706897
73 B7N 0.585366 0.694915
74 PDK 0.577778 0.833333
75 AGA 0.565789 0.792453
76 FAW 0.553846 0.607843
77 DDR 0.553846 0.607843
78 L2C 0.553846 0.607843
79 DGA 0.553846 0.607843
80 1EM 0.553846 0.607843
81 PIE 0.541176 0.65
82 T7X 0.539326 0.694915
83 POV 0.535714 0.711864
84 L9R 0.535714 0.711864
85 LBN 0.535714 0.711864
86 LPC 0.533333 0.827586
87 LP3 0.533333 0.827586
88 LAP 0.533333 0.827586
89 K6G 0.533333 0.827586
90 P3A 0.523256 0.777778
91 NKO 0.492754 0.788462
92 NKN 0.492754 0.788462
93 42H 0.47619 0.813559
94 DLP 0.472527 0.711864
95 CN5 0.468354 0.843137
96 S12 0.447059 0.87037
97 43Y 0.445946 0.758621
98 PC5 0.443038 0.645161
99 NKP 0.435897 0.773585
100 GEL 0.421687 0.942308
101 3PC 0.421687 0.706897
102 PCJ 0.413793 0.672414
103 PGM 0.410256 0.773585
104 DB4 0.407407 0.644068
105 I35 0.407407 0.655172
106 PBU 0.404762 0.644068
Similar Ligands (3D)
Ligand no: 1; Ligand: PEV; 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 : 3PG7; Ligand: PTY; 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: 3pg7.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3PG7; Ligand: PTY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3pg7.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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