Receptor
PDB id Resolution Class Description Source Keywords
5W7C 2.23 Å EC: 3.1.1.77 HUMAN ACYLOXYACYL HYDROLASE (AOAH), PROTEOLYTICALLY PROCESSE MUTANT, WITH LPS HOMO SAPIENS 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
FTT B:202;
C:611;
D:611;
A:202;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
244.37 C14 H28 O3 CCCCC...
CA D:601;
D:602;
C:602;
C:601;
C:603;
D:603;
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 B:201;
A:201;
D:608;
C:608;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
DAO FTT D:609;
C:609;
Valid;
Valid;
none;
none;
submit data
425.674 n/a O=C(O...
NAG NAG D:606;
C:606;
C:604;
D:604;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5W7C 2.23 Å EC: 3.1.1.77 HUMAN ACYLOXYACYL HYDROLASE (AOAH), PROTEOLYTICALLY PROCESSE MUTANT, WITH LPS HOMO SAPIENS 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 5W78 - MYR C14 H28 O2 CCCCCCCCCC....
2 5W7C - DAO FTT n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5W78 - MYR C14 H28 O2 CCCCCCCCCC....
2 5W7C - DAO FTT n/a n/a
3 5W7B - MYR C14 H28 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5W78 - MYR C14 H28 O2 CCCCCCCCCC....
2 5W7C - DAO FTT n/a n/a
3 5W7B - MYR C14 H28 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DAO FTT; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 DAO FTT 1 1
2 2JT 0.56 0.647059
3 G2A 0.56 0.647059
4 TGL 0.509091 0.8
5 56S 0.5 0.740741
6 L2C 0.474576 0.75
7 FAW 0.474576 0.75
8 DGA 0.474576 0.75
9 DDR 0.474576 0.75
10 PX8 0.439394 0.609756
11 PX2 0.439394 0.609756
12 LBR 0.424242 0.676471
13 8ND 0.424242 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5W7C; Ligand: DAO FTT; 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: 5w7c.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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