Receptor
PDB id Resolution Class Description Source Keywords
5B4B 1.6 Å EC: 3.6.1.54 CRYSTAL STRUCTURE OF LPXH WITH LIPID X IN SPACEGROUP C2 PSEUDOMONAS AERUGINOSA PAO1 LPXH LIPID A LIPID X UDP-2 3-DIACYLGLUCOSAMINE HYDROLAS
Ref.: CRYSTAL STRUCTURES OF THE UDP-DIACYLGLUCOSAMINE PYROPHOSPHOHYDRASE LPXH FROM PSEUDOMONAS AERUGINOSA SCI REP V. 6 32822 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LP5 B:301;
A:301;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0;
submit data
711.861 C34 H66 N O12 P CCCCC...
GOL A:302;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5B4B 1.6 Å EC: 3.6.1.54 CRYSTAL STRUCTURE OF LPXH WITH LIPID X IN SPACEGROUP C2 PSEUDOMONAS AERUGINOSA PAO1 LPXH LIPID A LIPID X UDP-2 3-DIACYLGLUCOSAMINE HYDROLAS
Ref.: CRYSTAL STRUCTURES OF THE UDP-DIACYLGLUCOSAMINE PYROPHOSPHOHYDRASE LPXH FROM PSEUDOMONAS AERUGINOSA SCI REP V. 6 32822 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5B4A - LP5 C34 H66 N O12 P CCCCCCCCCC....
2 5B49 - LP5 C34 H66 N O12 P CCCCCCCCCC....
3 5B4B - LP5 C34 H66 N O12 P CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5B4A - LP5 C34 H66 N O12 P CCCCCCCCCC....
2 5B49 - LP5 C34 H66 N O12 P CCCCCCCCCC....
3 5B4B - LP5 C34 H66 N O12 P CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5B4A - LP5 C34 H66 N O12 P CCCCCCCCCC....
2 5B49 - LP5 C34 H66 N O12 P CCCCCCCCCC....
3 5B4B - LP5 C34 H66 N O12 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LP5; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 LP5 1 1
2 LP4 LP5 0.663366 0.911765
3 LP5 LP4 0.663366 0.911765
4 LP4 LP5 MYR DAO 0.51145 0.911765
5 U21 0.495935 0.775
6 U20 0.495935 0.775
7 PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR 0.44 0.898551
8 U22 0.415385 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5B4B; Ligand: LP5; 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: 5b4b.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5B4B; Ligand: LP5; 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: 5b4b.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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