Receptor
PDB id Resolution Class Description Source Keywords
2D0V 2.49 Å EC: 1.1.99.8 CRYSTAL STRUCTURE OF METHANOL DEHYDROGENASE FROM HYPHOMICROBIUM DENITRIFICANS HYPHOMICROBIUM DENITRIFICANS ELECTRON TRANSFER OXIDOREDUCTASE CALCIUM BINDING METHANOL PQQ
Ref.: CRYSTAL STRUCTURES OF CYTOCHROME C(L) AND METHANOL DEHYDROGENASE FROM HYPHOMICROBIUM DENITRIFICANS: STRUCTURAL AND MECHANISTIC INSIGHTS INTO INTERACTIONS BETWEEN THE TWO PROTEINS BIOCHEMISTRY V. 45 3481 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:775;
D:775;
I:775;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
PQQ A:601;
D:601;
I:601;
Valid;
Valid;
Valid;
none;
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
2D0V 2.49 Å EC: 1.1.99.8 CRYSTAL STRUCTURE OF METHANOL DEHYDROGENASE FROM HYPHOMICROBIUM DENITRIFICANS HYPHOMICROBIUM DENITRIFICANS ELECTRON TRANSFER OXIDOREDUCTASE CALCIUM BINDING METHANOL PQQ
Ref.: CRYSTAL STRUCTURES OF CYTOCHROME C(L) AND METHANOL DEHYDROGENASE FROM HYPHOMICROBIUM DENITRIFICANS: STRUCTURAL AND MECHANISTIC INSIGHTS INTO INTERACTIONS BETWEEN THE TWO PROTEINS BIOCHEMISTRY V. 45 3481 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2D0V - PQQ C14 H6 N2 O8 c1c2c([nH]....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1G72 - PQQ C14 H6 N2 O8 c1c2c([nH]....
2 4AAH - PQQ C14 H6 N2 O8 c1c2c([nH]....
3 1W6S - PQQ C14 H6 N2 O8 c1c2c([nH]....
4 1H4I - PQQ C14 H6 N2 O8 c1c2c([nH]....
5 2D0V - PQQ C14 H6 N2 O8 c1c2c([nH]....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1G72 - PQQ C14 H6 N2 O8 c1c2c([nH]....
2 4AAH - PQQ C14 H6 N2 O8 c1c2c([nH]....
3 5XM3 - PQQ C14 H6 N2 O8 c1c2c([nH]....
4 1W6S - PQQ C14 H6 N2 O8 c1c2c([nH]....
5 1H4I - PQQ C14 H6 N2 O8 c1c2c([nH]....
6 2D0V - PQQ C14 H6 N2 O8 c1c2c([nH]....
7 1LRW - 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 : 2D0V; Ligand: PQQ; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2d0v.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1YIQ PQQ 48.5762
Pocket No.: 2; Query (leader) PDB : 2D0V; Ligand: PQQ; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 2d0v.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1YIQ PQQ 48.5762
Pocket No.: 3; Query (leader) PDB : 2D0V; Ligand: PQQ; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 2d0v.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1YIQ PQQ 48.5762
Pocket No.: 4; Query (leader) PDB : 2D0V; 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: 2d0v.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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