Receptor
PDB id Resolution Class Description Source Keywords
1YIQ 2.2 Å EC: 1.1.99.- MOLECULAR CLONING AND STRUCTURAL ANALYSIS OF QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADHIIG FROM P SEUDOMONAS PUTIDA HK5. COMPARIISON TO THE OTHER QU INOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADHIIB FOUND IN THE SAM E MICROORGANISM. PSEUDOMONAS PUTIDA QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ELECTRON TRANSFER OXIDOREDUCTASE
Ref.: MOLECULAR CLONING AND STRUCTURAL ANALYSIS OF QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADH-IIG FROM PSEUDOMONAS PUTIDA HK5 J.MOL.BIOL. V. 352 91 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:802;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
HEM A:901;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PGR A:803;
A:804;
A:805;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
76.094 C3 H8 O2 C[C@H...
PQQ A:801;
 Valid;
 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
1YIQ 2.2 Å EC: 1.1.99.- MOLECULAR CLONING AND STRUCTURAL ANALYSIS OF QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADHIIG FROM P SEUDOMONAS PUTIDA HK5. COMPARIISON TO THE OTHER QU INOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADHIIB FOUND IN THE SAM E MICROORGANISM. PSEUDOMONAS PUTIDA QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ELECTRON TRANSFER OXIDOREDUCTASE
Ref.: MOLECULAR CLONING AND STRUCTURAL ANALYSIS OF QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADH-IIG FROM PSEUDOMONAS PUTIDA HK5 J.MOL.BIOL. V. 352 91 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1YIQ - PQQ C14 H6 N2 O8 c1c2c([nH]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1YIQ - PQQ C14 H6 N2 O8 c1c2c([nH]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1YIQ - 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 : 1YIQ; Ligand: PQQ; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 1yiq.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5XM3 PQQ 45.7735
2 5XM3 PQQ 45.7735
3 1G72 PQQ 47.1204
4 1G72 PQQ 47.1204
5 6DAM PQQ 47.1637
6 2D0V PQQ 48.5762
7 2D0V PQQ 48.5762
8 2D0V PQQ 48.5762
9 1W6S PQQ 48.581
10 1W6S PQQ 48.581
11 1LRW PQQ 49.1667
12 1LRW PQQ 49.1667
13 6FKW PQQ 49.2201
14 6FKW PQQ 49.2201
15 6FKW PQQ 49.2201
16 6FKW PQQ 49.2201
APoc FAQ
Feedback