Receptor
PDB id Resolution Class Description Source Keywords
4MAE 1.6 Å EC: 1.1.2.7 METHANOL DEHYDROGENASE FROM METHYLACIDIPHILUM FUMARIOLICUM S METHYLACIDIPHILUM FUMARIOLICUM SOLV DEHYDROGENASE PQQ LANTHANIDE ION CERIUM ION OXIDOREDUCTA
Ref.: RARE EARTH METALS ARE ESSENTIAL FOR METHANOTROPHIC VOLCANIC MUDPOTS. ENVIRON.MICROBIOL. V. 16 255 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PQQ A:602;
B:602;
Valid;
Valid;
none;
none;
submit data
330.206 C14 H6 N2 O8 c1c2c...
CE B:601;
A:601;
Invalid;
Invalid;
none;
none;
submit data
140.116 Ce [Ce+3...
15P B:603;
A:603;
Invalid;
Invalid;
none;
none;
submit data
1529.83 C69 H140 O35 COCCO...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FKW 1.4 Å EC: 1.1.2.7 EUROPIUM-CONTAINING METHANOL DEHYDROGENASE METHYLACIDIPHILUM FUMARIOLICUM SOLV RARE EARTH ELEMENT METHANOL DEHYDROGENASE PQQ OXIDOREDUCT
Ref.: SIMILAR BUT NOT THE SAME: FIRST KINETIC AND STRUCTU ANALYSES OF A METHANOL DEHYDROGENASE CONTAINING A E ION IN THE ACTIVE SITE. CHEMBIOCHEM 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6FKW - PQQ C14 H6 N2 O8 c1c2c([nH]....
2 4MAE - PQQ C14 H6 N2 O8 c1c2c([nH]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6FKW - PQQ C14 H6 N2 O8 c1c2c([nH]....
2 4MAE - PQQ C14 H6 N2 O8 c1c2c([nH]....
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 6DAM - PQQ C14 H6 N2 O8 c1c2c([nH]....
2 6FKW - PQQ C14 H6 N2 O8 c1c2c([nH]....
3 4MAE - 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 : 6FKW; Ligand: PQQ; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6fkw.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1YIQ PQQ 49.2201
Pocket No.: 2; Query (leader) PDB : 6FKW; 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: 6fkw.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6FKW; 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: 3) in the query (biounit: 6fkw.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6FKW; 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: 4) in the query (biounit: 6fkw.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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