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 = 0.167;
Atoms found LESS than expected: % Diff = 0.167;
Atoms found LESS than expected: % Diff = 0.167;
 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 (2D)
Ligand no: 1; Ligand: HXG; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 HXG 1 1
2 XP5 0.901639 1
3 HGX 0.873016 1
4 LIO 0.873016 1
5 PC7 0.873016 1
6 PX4 0.873016 1
7 HGP 0.873016 1
8 6PL 0.873016 1
9 PLD 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 PTY 0.691176 0.793103
17 3PE 0.691176 0.793103
18 8PE 0.691176 0.793103
19 PEH 0.691176 0.793103
20 9PE 0.681159 0.793103
21 PSF 0.676471 0.745763
22 44E 0.66129 0.727273
23 PEE 0.657143 0.810345
24 43Y 0.630769 0.962264
25 PC1 0.630137 0.924528
26 MC3 0.630137 0.924528
27 PCF 0.630137 0.924528
28 CD4 0.628571 0.727273
29 LHG 0.611111 0.701754
30 PGT 0.611111 0.701754
31 6OU 0.61039 0.779661
32 LOP 0.61039 0.779661
33 L9Q 0.61039 0.779661
34 8SP 0.60274 0.745763
35 RXY 0.602564 0.779661
36 P5S 0.594595 0.745763
37 PC5 0.591549 0.824561
38 PD7 0.590909 0.727273
39 K6G 0.583333 0.963636
40 LPC 0.583333 0.963636
41 LP3 0.583333 0.963636
42 LAP 0.583333 0.963636
43 3PC 0.581081 0.90566
44 ZPE 0.575 0.779661
45 LPP 0.573529 0.727273
46 6PH 0.573529 0.727273
47 PA8 0.573529 0.773585
48 F57 0.573529 0.727273
49 7PH 0.573529 0.727273
50 3PH 0.573529 0.727273
51 PX8 0.565217 0.773585
52 7P9 0.565217 0.727273
53 PX2 0.565217 0.773585
54 CN3 0.564103 0.727273
55 L9R 0.560976 0.907407
56 POV 0.560976 0.907407
57 LBN 0.560976 0.907407
58 GP7 0.552941 0.779661
59 PEK 0.547619 0.779661
60 PIF 0.544304 0.645161
61 PGW 0.54321 0.689655
62 D3D 0.54321 0.689655
63 CN6 0.538462 0.727273
64 PII 0.538462 0.655738
65 DR9 0.536585 0.689655
66 PGV 0.536585 0.689655
67 PGK 0.53012 0.666667
68 P6L 0.53012 0.689655
69 DLP 0.528736 0.907407
70 PIO 0.52439 0.645161
71 52N 0.52439 0.645161
72 IP9 0.52439 0.655738
73 P50 0.52381 0.745763
74 OZ2 0.52381 0.689655
75 42H 0.518519 0.946429
76 PIZ 0.518072 0.655738
77 CDL 0.513158 0.722222
78 DGG 0.511628 0.666667
79 PG8 0.506494 0.701754
80 M7U 0.506494 0.727273
81 D21 0.506494 0.714286
82 EPH 0.494624 0.779661
83 PDK 0.484211 0.777778
84 B7N 0.482759 0.645161
85 AGA 0.475 0.701754
86 8ND 0.465753 0.614035
87 PIE 0.444444 0.629032
88 LPX 0.441558 0.775862
89 T7X 0.431579 0.645161
90 I35 0.43038 0.606557
91 P3A 0.428571 0.689655
92 HC5 0.42029 0.777778
93 PQJ 0.41791 0.886792
94 LPE 0.415584 0.909091
95 CH5 0.415385 0.789474
Similar Ligands (3D)
Ligand no: 1; Ligand: HXG; 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 : 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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