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
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
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4MAE - 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 1 families.
1 4MAE - 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 1 families.
1 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 : 4MAE; Ligand: PQQ; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 4mae.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PFY PCA 0.005566 0.43658 2.32558
2 4IV9 TSR 0.01513 0.41913 2.51346
3 1X9I G6Q 0.01367 0.40313 2.64901
4 3SK2 GRI 0.02963 0.40044 3.0303
5 5U5G 7VD 0.01839 0.40913 3.38983
6 2CFC KPC 0.01377 0.41565 3.6
7 1MO9 FAD 0.01315 0.43432 3.63289
8 3F8D FAD 0.03281 0.41098 3.71517
9 2PFZ PCA 0.01453 0.4112 3.98671
10 4AQ0 DMJ 0.02702 0.40051 4.15945
11 1H4H XYP XYS XYP 0.009876 0.40232 4.30622
12 1Z45 GAL 0.01473 0.4141 4.33276
13 5A5W GUO 0.01059 0.41445 4.34783
14 5A7V MAN 0.02514 0.40251 4.38144
15 5D3X 4IP 0.008531 0.42162 4.79042
16 3BF8 MLA 0.01398 0.41856 5.4902
17 2FYF PLP 0.002905 0.44482 5.77889
18 5XG5 A2G 0.01004 0.42378 6.2069
19 1W62 PYC 0.02311 0.40401 6.28019
20 1VPD TLA 0.003632 0.45039 7.69231
21 3C8F MT2 0.0002618 0.51347 7.7551
22 3RF4 FUN 0.008294 0.42689 7.75862
23 3A0T ADP 0.004602 0.4022 7.89474
24 2CI5 HCS 0.01707 0.41208 8.4507
25 1Y42 TYR 0.02246 0.40466 9.18367
26 1KJ1 MAN 0.008251 0.42872 20.1835
27 4CVC PQQ 0.000008297 0.54118 40.2098
28 1YIQ PQQ 0.00000000001487 0.7695 49.2201
Pocket No.: 2; Query (leader) PDB : 4MAE; Ligand: PQQ; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4mae.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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