Receptor
PDB id Resolution Class Description Source Keywords
5XJ7 1.77 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF PLSY (YGIH), AN INTEGRAL MEMBRANE GLYCE PHOSPHATE ACYLTRANSFERASE - THE ACYL PHOSPHATE FORM AQUIFEX AEOLICUS 16:0-P ACYLP ACYL PHOSPHATE GLYCERYLPHOSPHATE ACYLTRANSFEGPAT IN MESO LIPID CUBIC PHASE LIPIDIC CUBIC PHASE LIPIMETABOLISM MONOACYLGLYCEROL PHOSPHOLIPID BIOSYNTHESIS SUPALMITOYL PHOSPHATE PLSY YGIH TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO THE COMMITTED STEP OF BACT PHOSPHOLIPID BIOSYNTHESIS. NAT COMMUN V. 8 1691 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
78M A:307;
A:302;
A:306;
A:304;
A:305;
A:301;
A:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
314.46 C18 H34 O4 CCCCC...
PO4 A:312;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
87O A:309;
A:308;
Valid;
Invalid;
none;
none;
submit data
336.404 C16 H33 O5 P CCCCC...
K A:310;
A:311;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XJ7 1.77 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF PLSY (YGIH), AN INTEGRAL MEMBRANE GLYCE PHOSPHATE ACYLTRANSFERASE - THE ACYL PHOSPHATE FORM AQUIFEX AEOLICUS 16:0-P ACYLP ACYL PHOSPHATE GLYCERYLPHOSPHATE ACYLTRANSFEGPAT IN MESO LIPID CUBIC PHASE LIPIDIC CUBIC PHASE LIPIMETABOLISM MONOACYLGLYCEROL PHOSPHOLIPID BIOSYNTHESIS SUPALMITOYL PHOSPHATE PLSY YGIH TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO THE COMMITTED STEP OF BACT PHOSPHOLIPID BIOSYNTHESIS. NAT COMMUN V. 8 1691 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 33 families.
1 5XJ7 - 87O C16 H33 O5 P CCCCCCCCCC....
2 5XJ6 - G3P C3 H9 O6 P C([C@H](CO....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 5XJ7 - 87O C16 H33 O5 P CCCCCCCCCC....
2 5XJ6 - G3P C3 H9 O6 P C([C@H](CO....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 5XJ7 - 87O C16 H33 O5 P CCCCCCCCCC....
2 5XJ6 - G3P C3 H9 O6 P C([C@H](CO....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 87O; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 87O 1 1
2 NKN 0.5 0.813953
3 NKO 0.5 0.813953
4 F57 0.45614 0.813953
5 3PH 0.45614 0.813953
6 LPP 0.45614 0.813953
7 6PH 0.45614 0.813953
8 7PH 0.45614 0.813953
9 7P9 0.448276 0.813953
10 14V 0.434783 0.631579
11 NKP 0.42623 0.795455
12 PX8 0.423729 0.75
13 PX2 0.423729 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5XJ7; Ligand: 87O; 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: 5xj7.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5XJ7; Ligand: 87O; 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: 5xj7.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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