Receptor
PDB id Resolution Class Description Source Keywords
5W7E 1.83 Å EC: 3.1.1.77 MURINE ACYLOXYACYL HYDROLASE (AOAH), S262A MUTANT, WITH DIMY PHOSPHATIDYLCHOLINE MUS MUSCULUS LIPOPOLYSACCHARIDE LPS GDSL ESTERASE SAPOSIN HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE MAMMALIAN LIPOPOLYSACCHARI DETOXIFIER. PROC. NATL. ACAD. SCI. V. 115 E896 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:602;
A:602;
A:603;
B:601;
B:603;
A:601;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NAG A:604;
B:605;
B:604;
A:605;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
FAW A:606;
B:606;
Valid;
Valid;
none;
none;
submit data
512.805 C31 H60 O5 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5W7D 1.75 Å EC: 3.1.1.77 MURINE ACYLOXYACYL HYDROLASE (AOAH), S262A MUTANT MUS MUSCULUS LIPOPOLYSACCHARIDE LPS GDSL ESTERASE SAPOSIN HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE MAMMALIAN LIPOPOLYSACCHARI DETOXIFIER. PROC. NATL. ACAD. SCI. V. 115 E896 2018 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5W7D - PX8 C39 H76 O8 P CCCCCCCCCC....
2 5W7E - FAW C31 H60 O5 CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5W7D - PX8 C39 H76 O8 P CCCCCCCCCC....
2 5W7E - FAW C31 H60 O5 CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5W7D - PX8 C39 H76 O8 P CCCCCCCCCC....
2 5W7E - FAW C31 H60 O5 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAW; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 L2C 1 1
2 FAW 1 1
3 DGA 1 1
4 DDR 1 1
5 LBR 0.86 0.909091
6 TGL 0.744681 0.875
7 2JT 0.711111 0.878788
8 G2A 0.711111 0.878788
9 6PH 0.631579 0.697674
10 7PH 0.631579 0.697674
11 3PH 0.631579 0.697674
12 F57 0.631579 0.697674
13 LPP 0.631579 0.697674
14 PX8 0.62069 0.714286
15 7P9 0.62069 0.697674
16 PX2 0.62069 0.714286
17 GYM 0.62 0.852941
18 1QW 0.62 0.852941
19 8ND 0.603448 0.707317
20 LHG 0.59375 0.704545
21 PGT 0.59375 0.704545
22 M7U 0.569231 0.697674
23 PD7 0.568965 0.697674
24 CD4 0.5625 0.697674
25 8PE 0.553846 0.607843
26 PEF 0.553846 0.607843
27 PEH 0.553846 0.607843
28 PTY 0.553846 0.607843
29 CDL 0.553846 0.690476
30 PEV 0.553846 0.607843
31 D21 0.545455 0.681818
32 9PE 0.545455 0.607843
33 PCJ 0.542857 0.638298
34 56S 0.541667 0.606061
35 AGA 0.529412 0.704545
36 OLC 0.525424 0.828571
37 OLB 0.525424 0.828571
38 D3D 0.520548 0.688889
39 PGW 0.520548 0.688889
40 PII 0.514286 0.612245
41 DR9 0.513514 0.688889
42 PGV 0.513514 0.688889
43 44E 0.508475 0.697674
44 P6L 0.506667 0.688889
45 PGK 0.506667 0.659574
46 CN3 0.5 0.697674
47 MVC 0.5 0.828571
48 OZ2 0.5 0.688889
49 NKO 0.491525 0.659091
50 NKN 0.491525 0.659091
51 DGG 0.487179 0.659574
52 P3A 0.487179 0.688889
53 44G 0.484848 0.704545
54 PGM 0.484375 0.681818
55 78N 0.483333 0.828571
56 78M 0.483333 0.828571
57 PIF 0.479452 0.6
58 PVC 0.47541 0.717949
59 DAO FTT 0.474576 0.75
60 PIZ 0.473684 0.612245
61 CN6 0.472222 0.697674
62 CNS 0.461538 0.677419
63 CUY 0.461538 0.677419
64 6UL 0.461538 0.677419
65 IP9 0.460526 0.612245
66 52N 0.460526 0.6
67 PIO 0.460526 0.6
68 1O2 0.45679 0.704545
69 B7N 0.455696 0.6
70 DGD 0.451219 0.688889
71 3TF 0.451219 0.704545
72 NKP 0.426471 0.644444
73 T80 0.416667 0.757576
74 PJZ 0.416667 0.787879
75 1L2 0.41573 0.704545
76 TWN 0.411765 0.657895
77 T7X 0.402299 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5W7D; Ligand: MYR; 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: 5w7d.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5W7D; Ligand: PX8; 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: 5w7d.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback