Receptor
PDB id Resolution Class Description Source Keywords
6XLP 2 Å NON-ENZYME: BINDING STRUCTURE OF THE ESSENTIAL INNER MEMBRANE LIPOPOLYSACCHARIDE COMPLEX ESCHERICHIA COLI LIPOPOLYSACCHARIDE LPS; MEMBRANE PROTEIN LIPID BINDING PRO
Ref.: STRUCTURE OF THE ESSENTIAL INNER MEMBRANE LIPOPOLYSACCHARIDE-PBGA COMPLEX. NATURE V. 584 479 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLB A:614;
A:613;
A:612;
A:610;
A:609;
A:615;
A:611;
A:616;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
356.54 C21 H40 O4 CCCCC...
PG4 A:617;
A:619;
A:618;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
194.226 C8 H18 O5 C(COC...
SO4 A:601;
A:607;
A:605;
A:608;
A:606;
A:602;
A:604;
A:603;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
VJ4 KDO VJ1 B:1;
 Valid;
 none;
 submit data
n/a n/a
3PE A:620;
 Invalid;
 none;
 submit data
748.065 C41 H82 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6XLP 2 Å NON-ENZYME: BINDING STRUCTURE OF THE ESSENTIAL INNER MEMBRANE LIPOPOLYSACCHARIDE COMPLEX ESCHERICHIA COLI LIPOPOLYSACCHARIDE LPS; MEMBRANE PROTEIN LIPID BINDING PRO
Ref.: STRUCTURE OF THE ESSENTIAL INNER MEMBRANE LIPOPOLYSACCHARIDE-PBGA COMPLEX. NATURE V. 584 479 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6XLP - VJ4 KDO VJ1 n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6XLP - VJ4 KDO VJ1 n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6VDF - PSE C3 H10 N O5 P C([C@H](CO....
2 6XLP - VJ4 KDO VJ1 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: VJ4 KDO VJ1; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: VJ4 KDO VJ1; 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 : 6XLP; Ligand: VJ4 KDO VJ1; 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: 6xlp.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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