Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
POP B:601;
B:602;
Invalid;
Invalid;
none;
none;
submit data
175.959 H2 O7 P2 O[P@@...
PTY A:400;
B:500;
Valid;
Valid;
none;
none;
submit data
734.039 C40 H80 N O8 P CCCCC...
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 1443 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 1205 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 1039 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: PTY; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 8PE 1 1
2 PEH 1 1
3 PEF 1 1
4 PTY 1 1
5 PEV 1 1
6 9PE 0.983051 1
7 LOP 0.865672 0.980769
8 L9Q 0.865672 0.980769
9 6OU 0.865672 0.980769
10 ZPE 0.814286 0.980769
11 HGX 0.80303 0.793103
12 HGP 0.80303 0.793103
13 6PL 0.80303 0.793103
14 PLD 0.80303 0.793103
15 LIO 0.80303 0.793103
16 PC7 0.80303 0.793103
17 PEE 0.8 0.980769
18 GP7 0.773333 0.980769
19 PEK 0.77027 0.980769
20 CD4 0.769231 0.823529
21 P5S 0.75 0.90566
22 PGT 0.746269 0.826923
23 XP5 0.746269 0.793103
24 LHG 0.746269 0.826923
25 3PH 0.714286 0.788462
26 F57 0.714286 0.788462
27 LPP 0.714286 0.788462
28 6PH 0.714286 0.788462
29 7PH 0.714286 0.788462
30 PCW 0.706667 0.779661
31 PX2 0.703125 0.769231
32 7P9 0.703125 0.788462
33 PX8 0.703125 0.769231
34 PCK 0.688312 0.754098
35 CN3 0.684932 0.823529
36 PGW 0.657895 0.811321
37 D3D 0.657895 0.811321
38 PII 0.657534 0.706897
39 CN6 0.657534 0.823529
40 PD7 0.65625 0.788462
41 P50 0.653846 0.90566
42 DR9 0.649351 0.811321
43 PGV 0.649351 0.811321
44 EPH 0.647059 0.980769
45 PSC 0.646341 0.779661
46 PSF 0.642857 0.90566
47 PGK 0.641026 0.781818
48 P6L 0.641026 0.811321
49 44G 0.637681 0.826923
50 8ND 0.636364 0.730769
51 CDL 0.633803 0.75
52 OZ2 0.632911 0.811321
53 D21 0.625 0.773585
54 M7U 0.625 0.788462
55 PIF 0.618421 0.694915
56 DGG 0.617284 0.781818
57 3PE 0.616438 0.884615
58 PIZ 0.607595 0.706897
59 PC1 0.6 0.724138
60 MC3 0.6 0.724138
61 PCF 0.6 0.724138
62 44E 0.6 0.788462
63 PIO 0.594937 0.694915
64 52N 0.594937 0.694915
65 IP9 0.594937 0.706897
66 B7N 0.585366 0.694915
67 PDK 0.577778 0.833333
68 AGA 0.565789 0.792453
69 FAW 0.553846 0.607843
70 L2C 0.553846 0.607843
71 DDR 0.553846 0.607843
72 DGA 0.553846 0.607843
73 PIE 0.541176 0.65
74 T7X 0.539326 0.694915
75 POV 0.535714 0.711864
76 L9R 0.535714 0.711864
77 LP3 0.533333 0.827586
78 LAP 0.533333 0.827586
79 LPC 0.533333 0.827586
80 P3A 0.523256 0.777778
81 NKO 0.492754 0.788462
82 NKN 0.492754 0.788462
83 42H 0.47619 0.813559
84 DLP 0.472527 0.711864
85 CN5 0.468354 0.843137
86 S12 0.447059 0.87037
87 43Y 0.445946 0.758621
88 PC5 0.443038 0.645161
89 NKP 0.435897 0.773585
90 GEL 0.421687 0.942308
91 3PC 0.421687 0.706897
92 PCJ 0.413793 0.672414
93 PGM 0.410256 0.773585
94 DB4 0.407407 0.644068
95 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 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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