Receptor
PDB id Resolution Class Description Source Keywords
4P42 2.44 Å NON-ENZYME: OTHER EXTENDED-SYNAPTOTAGMIN 2, SMP - C2A - C2B DOMAINS HOMO SAPIENS ENDOCYTOSIS SIGNAL TRANSDUCTION MEMBRANE CONTACT SITE LIPBINDING
Ref.: STRUCTURE OF A LIPID-BOUND EXTENDED SYNAPTOTAGMIN I A ROLE IN LIPID TRANSFER. NATURE V. 510 552 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EGC B:701;
A:701;
Invalid;
Invalid;
none;
none;
submit data
602.797 C32 H58 O10 CC(C)...
PEE B:702;
A:702;
Valid;
Valid;
none;
none;
submit data
749.073 C41 H83 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P42 2.44 Å NON-ENZYME: OTHER EXTENDED-SYNAPTOTAGMIN 2, SMP - C2A - C2B DOMAINS HOMO SAPIENS ENDOCYTOSIS SIGNAL TRANSDUCTION MEMBRANE CONTACT SITE LIPBINDING
Ref.: STRUCTURE OF A LIPID-BOUND EXTENDED SYNAPTOTAGMIN I A ROLE IN LIPID TRANSFER. NATURE V. 510 552 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4P42 - PEE C41 H83 N O8 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4P42 - PEE C41 H83 N O8 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4P42 - PEE C41 H83 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEE; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 PEE 1 1
2 PEF 0.8 0.980769
3 PEH 0.8 0.980769
4 PTY 0.8 0.980769
5 PEV 0.8 0.980769
6 8PE 0.8 0.980769
7 9PE 0.787879 0.980769
8 LIO 0.764706 0.810345
9 PLD 0.764706 0.810345
10 HGP 0.764706 0.810345
11 6PL 0.764706 0.810345
12 PC7 0.764706 0.810345
13 HGX 0.764706 0.810345
14 CD4 0.757576 0.807692
15 LHG 0.735294 0.811321
16 PGT 0.735294 0.811321
17 P5S 0.714286 0.888889
18 XP5 0.710145 0.810345
19 7PH 0.703125 0.773585
20 LPP 0.703125 0.773585
21 6PH 0.703125 0.773585
22 F57 0.703125 0.773585
23 3PH 0.703125 0.773585
24 LOP 0.702703 0.962264
25 6OU 0.702703 0.962264
26 L9Q 0.702703 0.962264
27 3PE 0.7 0.903846
28 PX2 0.692308 0.788462
29 7P9 0.692308 0.773585
30 PX8 0.692308 0.788462
31 CN3 0.675676 0.807692
32 PCW 0.675325 0.79661
33 ZPE 0.662338 0.962264
34 PCK 0.658228 0.770492
35 PGW 0.649351 0.796296
36 D3D 0.649351 0.796296
37 CN6 0.648649 0.807692
38 PII 0.648649 0.694915
39 PD7 0.646154 0.773585
40 DR9 0.641026 0.796296
41 PGV 0.641026 0.796296
42 GP7 0.634146 0.962264
43 PGK 0.632911 0.767857
44 P6L 0.632911 0.796296
45 PEK 0.62963 0.962264
46 44G 0.628571 0.811321
47 OZ2 0.625 0.796296
48 P50 0.625 0.888889
49 PSC 0.619048 0.79661
50 D21 0.616438 0.759259
51 M7U 0.616438 0.773585
52 PSF 0.611111 0.888889
53 PIF 0.61039 0.683333
54 DGG 0.609756 0.767857
55 CDL 0.60274 0.769231
56 PIZ 0.6 0.694915
57 44E 0.590909 0.773585
58 52N 0.5875 0.683333
59 PIO 0.5875 0.683333
60 IP9 0.5875 0.694915
61 B7N 0.578313 0.683333
62 PC1 0.571429 0.741379
63 PDK 0.571429 0.819672
64 MC3 0.571429 0.741379
65 PCF 0.571429 0.741379
66 8ND 0.557143 0.716981
67 AGA 0.538462 0.811321
68 EPH 0.532609 0.962264
69 PIE 0.517241 0.666667
70 T7X 0.516484 0.683333
71 L9R 0.511628 0.728814
72 POV 0.511628 0.728814
73 LP3 0.506494 0.844828
74 LPC 0.506494 0.844828
75 LAP 0.506494 0.844828
76 P3A 0.5 0.796296
77 CN5 0.481013 0.826923
78 NKN 0.464789 0.773585
79 NKO 0.464789 0.773585
80 42H 0.453488 0.830508
81 DLP 0.451613 0.728814
82 S12 0.425287 0.854545
83 43Y 0.421053 0.775862
84 PC5 0.419753 0.66129
85 NKP 0.4125 0.759259
86 PCJ 0.409091 0.661017
87 PGM 0.405063 0.792453
88 DB4 0.402439 0.633333
89 3PC 0.4 0.724138
90 PBU 0.4 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4P42; Ligand: PEE; 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: 4p42.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4P42; Ligand: PEE; 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: 4p42.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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