Receptor
PDB id Resolution Class Description Source Keywords
6KZ8 2.29 Å EC: 3.1.4.4 CRYSTAL STRUCTURE OF PLANT PHOSPHOLIPASE D ALPHA COMPLEX WIT 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. V. 30 61 2020
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 COMPLEX WIT 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. V. 30 61 2020
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 (2D)
Ligand no: 1; Ligand: PA8; Similar ligands found: 114
No: Ligand ECFP6 Tc MDL keys Tc
1 PA8 1 1
2 PX2 0.980392 1
3 PX8 0.980392 1
4 LPP 0.785714 0.930233
5 7PH 0.785714 0.930233
6 F57 0.785714 0.930233
7 3PH 0.785714 0.930233
8 6PH 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 PG8 0.703125 0.888889
15 3PE 0.6875 0.769231
16 PEV 0.6875 0.769231
17 8PE 0.6875 0.769231
18 PEH 0.6875 0.769231
19 PTY 0.6875 0.769231
20 PEF 0.6875 0.769231
21 44E 0.684211 0.930233
22 PGT 0.676923 0.888889
23 9PE 0.676923 0.769231
24 LHG 0.676923 0.888889
25 M7U 0.676923 0.930233
26 PEE 0.676923 0.788462
27 D21 0.676923 0.909091
28 8SP 0.666667 0.784314
29 PC7 0.656716 0.773585
30 LIO 0.656716 0.773585
31 PX4 0.656716 0.773585
32 AGA 0.656716 0.888889
33 P5S 0.656716 0.784314
34 HGP 0.656716 0.773585
35 HGX 0.656716 0.773585
36 6PL 0.656716 0.773585
37 PLD 0.656716 0.773585
38 MC3 0.647059 0.730769
39 PCF 0.647059 0.730769
40 PC1 0.647059 0.730769
41 CN3 0.642857 0.930233
42 PII 0.637681 0.816327
43 XP5 0.626866 0.773585
44 PIF 0.619718 0.8
45 CN6 0.614286 0.930233
46 FAW 0.603448 0.714286
47 DGA 0.603448 0.714286
48 L2C 0.603448 0.714286
49 1EM 0.603448 0.714286
50 DDR 0.603448 0.714286
51 6OU 0.60274 0.754717
52 L9Q 0.60274 0.754717
53 LOP 0.60274 0.754717
54 IP9 0.594595 0.816327
55 D3D 0.594595 0.869565
56 PGW 0.594595 0.869565
57 RXY 0.594595 0.754717
58 52N 0.594595 0.8
59 PIO 0.594595 0.8
60 44G 0.590909 0.888889
61 DR9 0.586667 0.869565
62 PIZ 0.586667 0.816327
63 PGV 0.586667 0.869565
64 P6L 0.578947 0.869565
65 PCW 0.578947 0.759259
66 PGK 0.578947 0.833333
67 P3A 0.576923 0.869565
68 PIE 0.576923 0.78
69 HXG 0.573529 0.773585
70 PSF 0.573529 0.784314
71 POV 0.571429 0.716981
72 L9R 0.571429 0.716981
73 OZ2 0.571429 0.869565
74 P50 0.571429 0.784314
75 LBN 0.571429 0.716981
76 ZPE 0.565789 0.754717
77 PCK 0.564103 0.732143
78 B7N 0.564103 0.8
79 DGG 0.556962 0.833333
80 GP7 0.54321 0.754717
81 LBR 0.538462 0.659091
82 PEK 0.5375 0.754717
83 PSC 0.53012 0.759259
84 NKO 0.507937 0.886364
85 NKN 0.507937 0.886364
86 PDK 0.505618 0.666667
87 T7X 0.5 0.8
88 G2A 0.5 0.636364
89 DLP 0.5 0.716981
90 2JT 0.5 0.636364
91 LPX 0.485714 0.75
92 PGM 0.478261 0.866667
93 3PC 0.466667 0.711538
94 1QW 0.466667 0.622222
95 BQ9 0.466667 0.697674
96 GYM 0.466667 0.622222
97 EKG 0.466667 0.622222
98 K6G 0.465753 0.745455
99 LAP 0.465753 0.745455
100 LPC 0.465753 0.745455
101 LP3 0.465753 0.745455
102 EPH 0.450549 0.754717
103 NKP 0.444444 0.866667
104 PC5 0.432432 0.642857
105 OCB 0.424242 0.603774
106 DAO FTT 0.424242 0.609756
107 CN5 0.421053 0.909091
108 42H 0.414634 0.732143
109 NTK 0.410714 0.634146
110 87O 0.40678 0.75
111 PVC 0.405797 0.604167
112 OLC 0.405797 0.608696
113 OLB 0.405797 0.608696
114 S12 0.402439 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: PA8; 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 : 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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