Receptor
PDB id Resolution Class Description Source Keywords
6IEJ 2.21 Å EC: 3.1.1.4 THE C2 DOMAIN OF CYTOSOLIC PHOSPHOLIPASE A2 ALPHA BOUND TO PHOSPHATIDYLCHOLINE GALLUS GALLUS LIPID BINDING PHOSPHOLIPASE CALCIUM BINDING C2 DOMAIN HY
Ref.: STRUCTURAL BASIS OF PHOSPHATIDYLCHOLINE RECOGNITION C2-DOMAIN OF CYTOSOLIC PHOSPHOLIPASE A2ALPHA. ELIFE V. 8 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HXG C:205;
A:205;
B:204;
 Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
 submit data
454.515 C20 H41 N O8 P CCCCC...
CA C:203;
C:202;
B:203;
A:203;
A:202;
A:201;
B:202;
B:201;
C:201;
 Invalid;
Part of Protein;
Invalid;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
MG A:204;
C:204;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6IEJ 2.21 Å EC: 3.1.1.4 THE C2 DOMAIN OF CYTOSOLIC PHOSPHOLIPASE A2 ALPHA BOUND TO PHOSPHATIDYLCHOLINE GALLUS GALLUS LIPID BINDING PHOSPHOLIPASE CALCIUM BINDING C2 DOMAIN HY
Ref.: STRUCTURAL BASIS OF PHOSPHATIDYLCHOLINE RECOGNITION C2-DOMAIN OF CYTOSOLIC PHOSPHOLIPASE A2ALPHA. ELIFE V. 8 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 6IEJ - HXG C20 H41 N O8 P CCCCCC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 6IEJ - HXG C20 H41 N O8 P CCCCCC(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 6IEJ - HXG C20 H41 N O8 P CCCCCC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HXG; Similar ligands found: 87
No: Ligand ECFP6 Tc MDL keys Tc
1 HXG 1 1
2 XP5 0.901639 1
3 6PL 0.873016 1
4 PX4 0.873016 1
5 PLD 0.873016 1
6 HGX 0.873016 1
7 PC7 0.873016 1
8 HGP 0.873016 1
9 LIO 0.873016 1
10 PCW 0.763889 0.981481
11 PCK 0.743243 0.946429
12 44G 0.69697 0.701754
13 PSC 0.696203 0.981481
14 PEF 0.691176 0.793103
15 PEV 0.691176 0.793103
16 8PE 0.691176 0.793103
17 PEH 0.691176 0.793103
18 PTY 0.691176 0.793103
19 9PE 0.681159 0.793103
20 PSF 0.676471 0.745763
21 44E 0.66129 0.727273
22 PEE 0.657143 0.810345
23 43Y 0.630769 0.962264
24 MC3 0.630137 0.924528
25 PCF 0.630137 0.924528
26 PC1 0.630137 0.924528
27 CD4 0.628571 0.727273
28 LHG 0.611111 0.701754
29 PGT 0.611111 0.701754
30 6OU 0.61039 0.779661
31 LOP 0.61039 0.779661
32 L9Q 0.61039 0.779661
33 P5S 0.594595 0.745763
34 PC5 0.591549 0.824561
35 PD7 0.590909 0.727273
36 LP3 0.583333 0.963636
37 LPC 0.583333 0.963636
38 LAP 0.583333 0.963636
39 3PC 0.581081 0.90566
40 ZPE 0.575 0.779661
41 3PH 0.573529 0.727273
42 F57 0.573529 0.727273
43 PA8 0.573529 0.773585
44 7PH 0.573529 0.727273
45 LPP 0.573529 0.727273
46 6PH 0.573529 0.727273
47 PX8 0.565217 0.773585
48 7P9 0.565217 0.727273
49 PX2 0.565217 0.773585
50 CN3 0.564103 0.727273
51 L9R 0.560976 0.907407
52 POV 0.560976 0.907407
53 GP7 0.552941 0.779661
54 PEK 0.547619 0.779661
55 PIF 0.544304 0.645161
56 D3D 0.54321 0.689655
57 PGW 0.54321 0.689655
58 PII 0.538462 0.655738
59 CN6 0.538462 0.727273
60 DR9 0.536585 0.689655
61 PGV 0.536585 0.689655
62 PGK 0.53012 0.666667
63 P6L 0.53012 0.689655
64 DLP 0.528736 0.907407
65 PIO 0.52439 0.645161
66 52N 0.52439 0.645161
67 IP9 0.52439 0.655738
68 P50 0.52381 0.745763
69 OZ2 0.52381 0.689655
70 42H 0.518519 0.946429
71 PIZ 0.518072 0.655738
72 CDL 0.513158 0.722222
73 DGG 0.511628 0.666667
74 D21 0.506494 0.714286
75 M7U 0.506494 0.727273
76 3PE 0.5 0.754386
77 EPH 0.494624 0.779661
78 PDK 0.484211 0.777778
79 B7N 0.482759 0.645161
80 AGA 0.475 0.701754
81 8ND 0.465753 0.614035
82 PIE 0.444444 0.629032
83 T7X 0.431579 0.645161
84 P3A 0.428571 0.689655
85 HC5 0.42029 0.777778
86 LPE 0.415584 0.909091
87 CH5 0.415385 0.789474
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6IEJ; Ligand: HXG; 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: 6iej.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6IEJ; Ligand: HXG; 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: 6iej.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6IEJ; Ligand: HXG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6iej.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6IEJ; Ligand: HXG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6iej.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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