Receptor
PDB id Resolution Class Description Source Keywords
6A6Q 1.67 Å EC: 1.11.1.14 CRYSTAL STRUCTURE OF A LIGNIN PEROXIDASE ISOZYME H8 VARIANT STABLE AT VERY ACIDIC PH PHANEROCHAETE CHRYSOSPORIUM RP-78 PEROXIDASE OXIDOREDUCTASE HEME BINDING DOMAIN
Ref.: IN SILICO-DESIGNED LIGNIN PEROXIDASE FROMPHANEROCHA CHRYSOSPORIUMSHOWS ENHANCED ACID STABILITY FOR DEPOLYMERIZATION OF LIGNIN. BIOTECHNOL BIOFUELS V. 11 325 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:403;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GOL A:404;
A:406;
A:405;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HEB A:401;
Valid;
none;
submit data
618.503 C34 H34 Fe N4 O4 CCC1=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A6Q 1.67 Å EC: 1.11.1.14 CRYSTAL STRUCTURE OF A LIGNIN PEROXIDASE ISOZYME H8 VARIANT STABLE AT VERY ACIDIC PH PHANEROCHAETE CHRYSOSPORIUM RP-78 PEROXIDASE OXIDOREDUCTASE HEME BINDING DOMAIN
Ref.: IN SILICO-DESIGNED LIGNIN PEROXIDASE FROMPHANEROCHA CHRYSOSPORIUMSHOWS ENHANCED ACID STABILITY FOR DEPOLYMERIZATION OF LIGNIN. BIOTECHNOL BIOFUELS V. 11 325 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6A6Q - HEB C34 H34 Fe N4 O4 CCC1=C(C2=....
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 6A6Q - HEB C34 H34 Fe N4 O4 CCC1=C(C2=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4G05 - JZ3 C7 H8 O2 COc1ccccc1....
2 1HSR - BHO C7 H7 N O2 c1ccc(cc1)....
3 1CK6 - SHA C7 H7 N O3 c1ccc(c(c1....
4 6A6Q - HEB C34 H34 Fe N4 O4 CCC1=C(C2=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HEB; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 HEB 1 1
2 522 0.738318 0.911765
3 HEA 0.507246 0.898551
4 FDE 0.495798 0.968254
5 7HE 0.434783 0.859375
6 HEM 0.403101 0.984127
Similar Ligands (3D)
Ligand no: 1; Ligand: HEB; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6A6Q; Ligand: HEB; 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: 6a6q.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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