Receptor
PDB id Resolution Class Description Source Keywords
4CVC 1.83 Å EC: 1.1.2.8 CRYSTAL STRUCTURE OF QUINONE-DEPENDENT ALCOHOL DEHYDROGENASE PSEUDOGLUCONOBACTER SACCHAROKETOGENENES WITH ZINC IN THE AC PSEUDOGLUCONOBACTER SACCHAROKETOGENES OXIDOREDUCTASE CARBOHYDRATE OXIDATION QUINOPROTEIN
Ref.: CRYSTAL STRUCTURE OF QUINONE-DEPENDENT ALCOHOL DEHY FROM PSEUDOGLUCONOBACTER SACCHAROKETOGENES. A VERSA DEHYDROGENASE OXIDIZING ALCOHOLS AND CARBOHYDRATES. PROTEIN SCI. V. 24 2044 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1614;
A:1612;
A:1615;
A:1611;
A:1610;
A:1609;
A:1613;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
PQQ A:1608;
Valid;
none;
submit data
330.206 C14 H6 N2 O8 c1c2c...
CL A:1616;
Invalid;
none;
submit data
35.453 Cl [Cl-]
PPI A:1617;
Invalid;
none;
submit data
74.079 C3 H6 O2 CCC(=...
PEG A:1607;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CVC 1.83 Å EC: 1.1.2.8 CRYSTAL STRUCTURE OF QUINONE-DEPENDENT ALCOHOL DEHYDROGENASE PSEUDOGLUCONOBACTER SACCHAROKETOGENENES WITH ZINC IN THE AC PSEUDOGLUCONOBACTER SACCHAROKETOGENES OXIDOREDUCTASE CARBOHYDRATE OXIDATION QUINOPROTEIN
Ref.: CRYSTAL STRUCTURE OF QUINONE-DEPENDENT ALCOHOL DEHY FROM PSEUDOGLUCONOBACTER SACCHAROKETOGENES. A VERSA DEHYDROGENASE OXIDIZING ALCOHOLS AND CARBOHYDRATES. PROTEIN SCI. V. 24 2044 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4CVB - PQQ C14 H6 N2 O8 c1c2c([nH]....
2 4CVC - 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 1 families.
1 4CVB - PQQ C14 H6 N2 O8 c1c2c([nH]....
2 4CVC - PQQ C14 H6 N2 O8 c1c2c([nH]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4CVB - PQQ C14 H6 N2 O8 c1c2c([nH]....
2 4CVC - PQQ C14 H6 N2 O8 c1c2c([nH]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PQQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PQQ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: PQQ; Similar ligands found: 27
No: Ligand Similarity coefficient
1 AHQ 0.9834
2 REF 0.9063
3 UCM 0.9044
4 RHN 0.9020
5 ARH 0.8975
6 8SK 0.8901
7 IXM 0.8867
8 AZN 0.8851
9 465 0.8844
10 FXB 0.8836
11 IQA 0.8795
12 19E 0.8791
13 DFW 0.8769
14 M3F 0.8721
15 K2C 0.8720
16 NOM 0.8709
17 609 0.8699
18 UXH 0.8669
19 2AN 0.8667
20 AQN 0.8648
21 CLI 0.8625
22 9YE 0.8625
23 1TJ 0.8617
24 SAU 0.8577
25 2V4 0.8553
26 XP0 0.8551
27 DX2 0.8546
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CVC; 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: 4cvc.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4CVC; 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: 4cvc.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4CVC; 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: 4cvc.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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