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 3 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 3 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 3 families.
1 2ZE9 - PD7 C17 H33 O8 P CCCCCCC(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PD7; Similar ligands found: 111
No: Ligand ECFP6 Tc MDL keys Tc
1 PD7 1 1
2 7P9 0.941176 1
3 6PH 0.921569 1
4 F57 0.921569 1
5 3PH 0.921569 1
6 LPP 0.921569 1
7 7PH 0.921569 1
8 44E 0.88 1
9 M7U 0.783333 1
10 D21 0.783333 0.976744
11 PA8 0.75 0.930233
12 PX8 0.736842 0.930233
13 PX2 0.736842 0.930233
14 TGL 0.673077 0.690476
15 9PE 0.671875 0.788462
16 XP5 0.671875 0.727273
17 CD4 0.666667 0.953488
18 PTY 0.65625 0.788462
19 PEF 0.65625 0.788462
20 3PE 0.65625 0.788462
21 PEV 0.65625 0.788462
22 8PE 0.65625 0.788462
23 PEH 0.65625 0.788462
24 PGT 0.646154 0.911111
25 PEE 0.646154 0.773585
26 LHG 0.646154 0.911111
27 8SP 0.636364 0.803922
28 CDL 0.630769 0.863636
29 PLD 0.626866 0.727273
30 HGP 0.626866 0.727273
31 P5S 0.626866 0.803922
32 HGX 0.626866 0.727273
33 PX4 0.626866 0.727273
34 PC7 0.626866 0.727273
35 LIO 0.626866 0.727273
36 6PL 0.626866 0.727273
37 PG8 0.621212 0.869565
38 PIF 0.614286 0.857143
39 44G 0.609375 0.911111
40 PII 0.608696 0.836735
41 CN3 0.591549 0.953488
42 HXG 0.590909 0.727273
43 PSF 0.590909 0.803922
44 52N 0.589041 0.857143
45 PIO 0.589041 0.857143
46 IP9 0.589041 0.875
47 PIZ 0.581081 0.875
48 AGA 0.57971 0.869565
49 6OU 0.575342 0.773585
50 LOP 0.575342 0.773585
51 L9Q 0.575342 0.773585
52 PC1 0.571429 0.685185
53 PCF 0.571429 0.685185
54 MC3 0.571429 0.685185
55 L2C 0.568965 0.697674
56 1EM 0.568965 0.697674
57 FAW 0.568965 0.697674
58 DDR 0.568965 0.697674
59 DGA 0.568965 0.697674
60 D3D 0.567568 0.891304
61 RXY 0.567568 0.773585
62 PGW 0.567568 0.891304
63 CN6 0.56338 0.953488
64 DR9 0.56 0.891304
65 PGV 0.56 0.891304
66 P6L 0.552632 0.891304
67 PCW 0.552632 0.714286
68 PGK 0.552632 0.854167
69 NKN 0.55 0.953488
70 NKO 0.55 0.953488
71 OZ2 0.545455 0.891304
72 P50 0.545455 0.803922
73 ZPE 0.539474 0.773585
74 B7N 0.538462 0.82
75 PCK 0.538462 0.689655
76 DGG 0.531646 0.854167
77 GP7 0.518519 0.773585
78 PEK 0.5125 0.773585
79 PIE 0.5125 0.764706
80 P3A 0.5125 0.851064
81 LBR 0.507692 0.644444
82 L9R 0.506329 0.672727
83 POV 0.506329 0.672727
84 LBN 0.506329 0.672727
85 PSC 0.506024 0.714286
86 NKP 0.478261 0.931818
87 T7X 0.476744 0.82
88 PDK 0.466667 0.683333
89 G2A 0.464286 0.659091
90 2JT 0.464286 0.659091
91 DLP 0.458824 0.672727
92 SQD 0.45679 0.609375
93 EPH 0.444444 0.773585
94 PC5 0.444444 0.603448
95 BQ9 0.44 0.681818
96 3PC 0.44 0.666667
97 LPX 0.43662 0.769231
98 EKG 0.433333 0.644444
99 1QW 0.433333 0.644444
100 GYM 0.433333 0.644444
101 NTK 0.425926 0.619048
102 DB4 0.424658 0.795918
103 I35 0.424658 0.8125
104 PBU 0.421053 0.795918
105 LPC 0.418919 0.732143
106 K6G 0.418919 0.732143
107 LP3 0.418919 0.732143
108 LAP 0.418919 0.732143
109 PGM 0.408451 0.847826
110 PIB 0.402597 0.795918
111 5P5 0.402597 0.795918
Similar Ligands (3D)
Ligand no: 1; Ligand: PD7; 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 : 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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