Receptor
PDB id Resolution Class Description Source Keywords
6H6X 2.25 Å EC: 1.-.-.- STRUCTURE OF AN EVOLVED DIMERIC FORM OF THE UBID-CLASS ENZYM FROM PELOTOMACULUM THERMOPROPIONICUM IN COMPLEX WITH PRFMN PELOTOMACULUM THERMOPROPIONICUM (STRAI13744 / JCM 10971 / SI) PRFMN DECARBOXYLATION THERMOPHILIC UBID HMFF FLAVOPROTE
Ref.: ENZYMATIC CARBOXYLATION OF 2-FUROIC ACID YIELDS 2,5-FURANDICARBOXYLIC ACID (FDCA). ACS CATALYSIS V. 9 2854 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN B:502;
A:502;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
4LU B:503;
A:503;
 Valid;
Valid;
 none;
none;
 submit data
525.469 C22 H30 N4 O9 P Cc1cc...
CA B:504;
A:504;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
K A:501;
B:501;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6H6X 2.25 Å EC: 1.-.-.- STRUCTURE OF AN EVOLVED DIMERIC FORM OF THE UBID-CLASS ENZYM FROM PELOTOMACULUM THERMOPROPIONICUM IN COMPLEX WITH PRFMN PELOTOMACULUM THERMOPROPIONICUM (STRAI13744 / JCM 10971 / SI) PRFMN DECARBOXYLATION THERMOPHILIC UBID HMFF FLAVOPROTE
Ref.: ENZYMATIC CARBOXYLATION OF 2-FUROIC ACID YIELDS 2,5-FURANDICARBOXYLIC ACID (FDCA). ACS CATALYSIS V. 9 2854 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 6H6X - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 6H6X - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 6H6X - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4LU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 4LU 1 1
2 FNR 0.480769 0.903614
3 4MJ 0.460938 0.941176
4 FZZ 0.449153 0.953488
5 4LS 0.433628 0.894118
6 BYN 0.422764 0.987952
7 HJN 0.418033 0.896552
8 9OU 0.415254 0.892857
9 9OC 0.404959 0.904762
Similar Ligands (3D)
Ligand no: 1; Ligand: 4LU; Similar ligands found: 1
No: Ligand Similarity coefficient
1 FMN 0.8884
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6H6X; Ligand: 4LU; 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: 6h6x.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6H6X; Ligand: 4LU; 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: 6h6x.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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