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: 87
No: Ligand ECFP6 Tc MDL keys Tc
1 PD7 1 1
2 7P9 0.941176 1
3 LPP 0.921569 1
4 7PH 0.921569 1
5 6PH 0.921569 1
6 3PH 0.921569 1
7 44E 0.88 1
8 M7U 0.783333 1
9 PX2 0.736842 0.930233
10 TGL 0.673077 0.690476
11 9PE 0.671875 0.788462
12 XP5 0.671875 0.727273
13 CD4 0.666667 0.953488
14 PEH 0.65625 0.788462
15 8PE 0.65625 0.788462
16 PEV 0.65625 0.788462
17 PEF 0.65625 0.788462
18 PTY 0.65625 0.788462
19 PGT 0.646154 0.911111
20 LHG 0.646154 0.911111
21 PEE 0.646154 0.773585
22 CDL 0.630769 0.863636
23 HGP 0.626866 0.727273
24 LIO 0.626866 0.727273
25 P5S 0.626866 0.803922
26 HGX 0.626866 0.727273
27 PLD 0.626866 0.727273
28 PC7 0.626866 0.727273
29 6PL 0.626866 0.727273
30 PIF 0.614286 0.857143
31 44G 0.609375 0.911111
32 PII 0.608696 0.836735
33 CN3 0.591549 0.953488
34 PSF 0.590909 0.803922
35 52N 0.589041 0.857143
36 PIO 0.589041 0.857143
37 IP9 0.589041 0.875
38 3PE 0.588235 0.711538
39 PIZ 0.581081 0.875
40 AGA 0.57971 0.869565
41 L9Q 0.575342 0.773585
42 LOP 0.575342 0.773585
43 PCF 0.571429 0.685185
44 MC3 0.571429 0.685185
45 PC1 0.571429 0.685185
46 L2C 0.568965 0.697674
47 DGA 0.568965 0.697674
48 DDR 0.568965 0.697674
49 PGW 0.567568 0.891304
50 CN6 0.56338 0.953488
51 DR9 0.56 0.891304
52 PGV 0.56 0.891304
53 PCW 0.552632 0.714286
54 P6L 0.552632 0.891304
55 PGK 0.552632 0.854167
56 NKN 0.55 0.953488
57 OZ2 0.545455 0.891304
58 ZPE 0.539474 0.773585
59 B7N 0.538462 0.82
60 PCK 0.538462 0.689655
61 DGG 0.531646 0.854167
62 GP7 0.518519 0.773585
63 PIE 0.5125 0.764706
64 PEK 0.5125 0.773585
65 P3A 0.5125 0.851064
66 LBR 0.507692 0.644444
67 L9R 0.506329 0.672727
68 PSC 0.506024 0.714286
69 NKP 0.478261 0.931818
70 T7X 0.476744 0.82
71 PDK 0.466667 0.683333
72 2JT 0.464286 0.659091
73 G2A 0.464286 0.659091
74 DLP 0.458824 0.672727
75 SQD 0.45679 0.609375
76 EPH 0.444444 0.773585
77 PC5 0.444444 0.603448
78 3PC 0.44 0.666667
79 GYM 0.433333 0.644444
80 DB4 0.424658 0.795918
81 PBU 0.421053 0.795918
82 LP3 0.418919 0.732143
83 LPC 0.418919 0.732143
84 LAP 0.418919 0.732143
85 PGM 0.408451 0.847826
86 5P5 0.402597 0.795918
87 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: 1
This union binding pocket(no: 1) in the query (biounit: 2ze9.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5H06 MAL 0.0101 0.41839 3.14342
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