Receptor
PDB id Resolution Class Description Source Keywords
6KZ8 2.29 Å EC: 3.1.4.4 CRYSTAL STRUCTURE OF PLANT PHOSPHOLIPASE D ALPHA COMLEX WITH PHOSPHATIDIC ACID ARABIDOPSIS THALIANA PHOSPHOLIPASE D CALCIUM ACTIVATION C2 DOMAIN PHOSPHATIDICINHIBITOR HYDROLASE
Ref.: CRYSTAL STRUCTURE OF PLANT PLD ALPHA 1 REVEALS CATA REGULATORY MECHANISMS OF EUKARYOTIC PHOSPHOLIPASE D CELL RES. 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PA8 B:902;
A:1101;
Valid;
Valid;
none;
none;
submit data
423.458 C19 H36 O8 P CCCCC...
CA B:901;
A:1102;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6KZ8 2.29 Å EC: 3.1.4.4 CRYSTAL STRUCTURE OF PLANT PHOSPHOLIPASE D ALPHA COMLEX WITH PHOSPHATIDIC ACID ARABIDOPSIS THALIANA PHOSPHOLIPASE D CALCIUM ACTIVATION C2 DOMAIN PHOSPHATIDICINHIBITOR HYDROLASE
Ref.: CRYSTAL STRUCTURE OF PLANT PLD ALPHA 1 REVEALS CATA REGULATORY MECHANISMS OF EUKARYOTIC PHOSPHOLIPASE D CELL RES. 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6KZ8 - PA8 C19 H36 O8 P CCCCCCCC(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6KZ8 - PA8 C19 H36 O8 P CCCCCCCC(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6KZ8 - PA8 C19 H36 O8 P CCCCCCCC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PA8; Similar ligands found: 106
No: Ligand ECFP6 Tc MDL keys Tc
1 PA8 1 1
2 PX2 0.980392 1
3 PX8 0.980392 1
4 F57 0.785714 0.930233
5 3PH 0.785714 0.930233
6 6PH 0.785714 0.930233
7 7PH 0.785714 0.930233
8 LPP 0.785714 0.930233
9 7P9 0.77193 0.930233
10 PD7 0.75 0.930233
11 CD4 0.725806 0.930233
12 CDL 0.714286 0.928571
13 TGL 0.711538 0.707317
14 PEV 0.6875 0.769231
15 PEH 0.6875 0.769231
16 PTY 0.6875 0.769231
17 PEF 0.6875 0.769231
18 8PE 0.6875 0.769231
19 44E 0.684211 0.930233
20 D21 0.676923 0.909091
21 M7U 0.676923 0.930233
22 PEE 0.676923 0.788462
23 PGT 0.676923 0.888889
24 LHG 0.676923 0.888889
25 9PE 0.676923 0.769231
26 3PE 0.666667 0.76
27 HGX 0.656716 0.773585
28 PLD 0.656716 0.773585
29 AGA 0.656716 0.888889
30 PX4 0.656716 0.773585
31 P5S 0.656716 0.784314
32 6PL 0.656716 0.773585
33 HGP 0.656716 0.773585
34 PC7 0.656716 0.773585
35 LIO 0.656716 0.773585
36 MC3 0.647059 0.730769
37 PCF 0.647059 0.730769
38 PC1 0.647059 0.730769
39 CN3 0.642857 0.930233
40 PII 0.637681 0.816327
41 XP5 0.626866 0.773585
42 PIF 0.619718 0.8
43 CN6 0.614286 0.930233
44 L2C 0.603448 0.714286
45 FAW 0.603448 0.714286
46 DDR 0.603448 0.714286
47 1EM 0.603448 0.714286
48 DGA 0.603448 0.714286
49 LOP 0.60274 0.754717
50 6OU 0.60274 0.754717
51 L9Q 0.60274 0.754717
52 D3D 0.594595 0.869565
53 PIO 0.594595 0.8
54 IP9 0.594595 0.816327
55 PGW 0.594595 0.869565
56 52N 0.594595 0.8
57 44G 0.590909 0.888889
58 PIZ 0.586667 0.816327
59 DR9 0.586667 0.869565
60 PGV 0.586667 0.869565
61 PGK 0.578947 0.833333
62 PCW 0.578947 0.759259
63 P6L 0.578947 0.869565
64 PIE 0.576923 0.78
65 P3A 0.576923 0.869565
66 HXG 0.573529 0.773585
67 PSF 0.573529 0.784314
68 L9R 0.571429 0.716981
69 POV 0.571429 0.716981
70 P50 0.571429 0.784314
71 OZ2 0.571429 0.869565
72 ZPE 0.565789 0.754717
73 PCK 0.564103 0.732143
74 B7N 0.564103 0.8
75 DGG 0.556962 0.833333
76 GP7 0.54321 0.754717
77 LBR 0.538462 0.659091
78 PEK 0.5375 0.754717
79 PSC 0.53012 0.759259
80 NKN 0.507937 0.886364
81 NKO 0.507937 0.886364
82 PDK 0.505618 0.666667
83 2JT 0.5 0.636364
84 T7X 0.5 0.8
85 DLP 0.5 0.716981
86 G2A 0.5 0.636364
87 PGM 0.478261 0.866667
88 GYM 0.466667 0.622222
89 3PC 0.466667 0.711538
90 BQ9 0.466667 0.697674
91 1QW 0.466667 0.622222
92 LP3 0.465753 0.745455
93 LPC 0.465753 0.745455
94 LAP 0.465753 0.745455
95 EPH 0.450549 0.754717
96 NKP 0.444444 0.866667
97 PC5 0.432432 0.642857
98 DAO FTT 0.424242 0.609756
99 OCB 0.424242 0.603774
100 CN5 0.421053 0.909091
101 42H 0.414634 0.732143
102 87O 0.40678 0.75
103 OLB 0.405797 0.608696
104 PVC 0.405797 0.604167
105 OLC 0.405797 0.608696
106 S12 0.402439 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6KZ8; Ligand: PA8; 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: 6kz8.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6KZ8; Ligand: PA8; 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: 6kz8.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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