Receptor
PDB id Resolution Class Description Source Keywords
6N10 2.3 Å EC: 4.1.1.33 CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA MEVALONATE 5-DIPHO DECARBOXYLASE 1 COMPLEXED WITH (R)-MVAPP ARABIDOPSIS THALIANA LYASE
Ref.: SUBSTRATE SPECIFICITY AND ENGINEERING OF MEVALONATE 5-PHOSPHATE DECARBOXYLASE. ACS CHEM.BIOL. V. 14 1767 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:504;
A:505;
A:502;
A:503;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
DP6 A:501;
Valid;
none;
submit data
308.117 C6 H14 O10 P2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6N10 2.3 Å EC: 4.1.1.33 CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA MEVALONATE 5-DIPHO DECARBOXYLASE 1 COMPLEXED WITH (R)-MVAPP ARABIDOPSIS THALIANA LYASE
Ref.: SUBSTRATE SPECIFICITY AND ENGINEERING OF MEVALONATE 5-PHOSPHATE DECARBOXYLASE. ACS CHEM.BIOL. V. 14 1767 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6N10 - DP6 C6 H14 O10 P2 C[C@@](CCO....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6N10 - DP6 C6 H14 O10 P2 C[C@@](CCO....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6N10 - DP6 C6 H14 O10 P2 C[C@@](CCO....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DP6; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 DP6 1 1
2 PMV 0.731707 1
3 BHI 0.644444 0.878049
4 FM0 0.58 0.853659
5 P23 0.422222 0.794872
6 1CO 0.422222 0.625
7 IPR 0.416667 0.8
8 0CJ 0.411765 0.85
9 IPE 0.408163 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: DP6; Similar ligands found: 3
No: Ligand Similarity coefficient
1 2P0 0.8803
2 BTN 0.8609
3 6KJ 0.8566
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6N10; Ligand: DP6; 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: 6n10.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6N10; Ligand: DP6; 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: 6n10.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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