Receptor
PDB id Resolution Class Description Source Keywords
3HLX 1.3 Å EC: 1.3.3.11 CRYSTAL STRUCTURE OF PQQC ACTIVE SITE MUTANT Y175F IN COMPLE KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIAORGANISM_TAXID: 272620 PQQC PQQ BIOSYNTHESIS OXIDASE COMPLEX ALL HELICAL OXIDO
Ref.: STRUCTURAL STUDIES OF MUTANT FORMS OF THE PQQ-FORMI PQQC IN THE PRESENCE OF PRODUCT AND SUBSTRATE PROTEINS V. 78 2554 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:261;
D:261;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
GOL A:259;
A:260;
D:259;
D:260;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PQQ A:500;
D:500;
Valid;
Valid;
none;
none;
submit data
330.206 C14 H6 N2 O8 c1c2c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HLX 1.3 Å EC: 1.3.3.11 CRYSTAL STRUCTURE OF PQQC ACTIVE SITE MUTANT Y175F IN COMPLE KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIAORGANISM_TAXID: 272620 PQQC PQQ BIOSYNTHESIS OXIDASE COMPLEX ALL HELICAL OXIDO
Ref.: STRUCTURAL STUDIES OF MUTANT FORMS OF THE PQQ-FORMI PQQC IN THE PRESENCE OF PRODUCT AND SUBSTRATE PROTEINS V. 78 2554 2010
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HNH - AHQ C14 H14 N2 O8 C1c2c(c3c(....
2 3HML - PQQ C14 H6 N2 O8 c1c2c([nH]....
3 1OTW - PQQ C14 H6 N2 O8 c1c2c([nH]....
4 3HLX - PQQ C14 H6 N2 O8 c1c2c([nH]....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HNH - AHQ C14 H14 N2 O8 C1c2c(c3c(....
2 3HML - PQQ C14 H6 N2 O8 c1c2c([nH]....
3 1OTW - PQQ C14 H6 N2 O8 c1c2c([nH]....
4 3HLX - PQQ C14 H6 N2 O8 c1c2c([nH]....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HNH - AHQ C14 H14 N2 O8 C1c2c(c3c(....
2 3HML - PQQ C14 H6 N2 O8 c1c2c([nH]....
3 1OTW - PQQ C14 H6 N2 O8 c1c2c([nH]....
4 3HLX - PQQ C14 H6 N2 O8 c1c2c([nH]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PQQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PQQ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HLX; Ligand: PQQ; 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: 3hlx.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3HLX; Ligand: PQQ; 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: 3hlx.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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