Receptor
PDB id Resolution Class Description Source Keywords
2ZE9 2.3 Å EC: 3.1.4.4 CRYSTAL STRUCTURE OF H168A MUTANT OF PHOSPHOLIPASE D FROM STREPTOMYCES ANTIBIOTICUS, AS A COMPLEX WITH P HOSPHATIDYLCHOLINE STREPTOMYCES ANTIBIOTICUS ALPHA-BETA-BETA-ALPHA SANDWICH HYDROLASE LIPID DEGRADATION SECRETED
Ref.: CRYSTAL STRUCTURE OF PHOSPHOLIPASE D FROM STREPTOMYCES ANTIBIOTICUS TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MES A:510;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
PD7 A:511;
Valid;
none;
submit data
396.413 C17 H33 O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZE9 2.3 Å EC: 3.1.4.4 CRYSTAL STRUCTURE OF H168A MUTANT OF PHOSPHOLIPASE D FROM STREPTOMYCES ANTIBIOTICUS, AS A COMPLEX WITH P HOSPHATIDYLCHOLINE STREPTOMYCES ANTIBIOTICUS ALPHA-BETA-BETA-ALPHA SANDWICH HYDROLASE LIPID DEGRADATION SECRETED
Ref.: CRYSTAL STRUCTURE OF PHOSPHOLIPASE D FROM STREPTOMYCES ANTIBIOTICUS TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZE9 - PD7 C17 H33 O8 P CCCCCCC(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZE9 - PD7 C17 H33 O8 P CCCCCCC(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZE9 - PD7 C17 H33 O8 P CCCCCCC(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PD7; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 PD7 1 1
2 7P9 0.941176 1
3 7PH 0.921569 1
4 3PH 0.921569 1
5 F57 0.921569 1
6 6PH 0.921569 1
7 LPP 0.921569 1
8 44E 0.88 1
9 M7U 0.783333 1
10 D21 0.783333 0.976744
11 PX2 0.736842 0.930233
12 PX8 0.736842 0.930233
13 TGL 0.673077 0.690476
14 9PE 0.671875 0.788462
15 XP5 0.671875 0.727273
16 CD4 0.666667 0.953488
17 PEV 0.65625 0.788462
18 PTY 0.65625 0.788462
19 PEH 0.65625 0.788462
20 PEF 0.65625 0.788462
21 8PE 0.65625 0.788462
22 LHG 0.646154 0.911111
23 PEE 0.646154 0.773585
24 PGT 0.646154 0.911111
25 CDL 0.630769 0.863636
26 LIO 0.626866 0.727273
27 6PL 0.626866 0.727273
28 PC7 0.626866 0.727273
29 HGP 0.626866 0.727273
30 PLD 0.626866 0.727273
31 HGX 0.626866 0.727273
32 P5S 0.626866 0.803922
33 PIF 0.614286 0.857143
34 44G 0.609375 0.911111
35 PII 0.608696 0.836735
36 CN3 0.591549 0.953488
37 PSF 0.590909 0.803922
38 52N 0.589041 0.857143
39 IP9 0.589041 0.875
40 PIO 0.589041 0.857143
41 3PE 0.588235 0.711538
42 PIZ 0.581081 0.875
43 AGA 0.57971 0.869565
44 LOP 0.575342 0.773585
45 L9Q 0.575342 0.773585
46 6OU 0.575342 0.773585
47 PCF 0.571429 0.685185
48 MC3 0.571429 0.685185
49 PC1 0.571429 0.685185
50 DGA 0.568965 0.697674
51 DDR 0.568965 0.697674
52 FAW 0.568965 0.697674
53 L2C 0.568965 0.697674
54 PGW 0.567568 0.891304
55 D3D 0.567568 0.891304
56 CN6 0.56338 0.953488
57 DR9 0.56 0.891304
58 PGV 0.56 0.891304
59 PGK 0.552632 0.854167
60 P6L 0.552632 0.891304
61 PCW 0.552632 0.714286
62 NKN 0.55 0.953488
63 NKO 0.55 0.953488
64 OZ2 0.545455 0.891304
65 P50 0.545455 0.803922
66 ZPE 0.539474 0.773585
67 B7N 0.538462 0.82
68 PCK 0.538462 0.689655
69 DGG 0.531646 0.854167
70 GP7 0.518519 0.773585
71 PIE 0.5125 0.764706
72 PEK 0.5125 0.773585
73 P3A 0.5125 0.851064
74 LBR 0.507692 0.644444
75 L9R 0.506329 0.672727
76 POV 0.506329 0.672727
77 PSC 0.506024 0.714286
78 NKP 0.478261 0.931818
79 T7X 0.476744 0.82
80 PDK 0.466667 0.683333
81 G2A 0.464286 0.659091
82 2JT 0.464286 0.659091
83 DLP 0.458824 0.672727
84 SQD 0.45679 0.609375
85 PC5 0.444444 0.603448
86 EPH 0.444444 0.773585
87 3PC 0.44 0.666667
88 1QW 0.433333 0.644444
89 GYM 0.433333 0.644444
90 DB4 0.424658 0.795918
91 PBU 0.421053 0.795918
92 LAP 0.418919 0.732143
93 LP3 0.418919 0.732143
94 LPC 0.418919 0.732143
95 PGM 0.408451 0.847826
96 5P5 0.402597 0.795918
97 PIB 0.402597 0.795918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZE9; Ligand: PD7; 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: 2ze9.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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