Receptor
PDB id Resolution Class Description Source Keywords
4YVN 2.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF COTA LACCASE COMPLEXED WITH ABTS AT A N BINDING SITE BACILLUS SUBTILIS (STRAIN 168) SPORE COAT PROTEIN A OXIDOREDUCTASE LACCASE ABTS
Ref.: CRYSTAL STRUCTURE OF COTA LACCASE COMPLEXED WITH 2,2-AZINOBIS-(3-ETHYLBENZOTHIAZOLINE-6-SULFONATE) A BINDING SITE ACTA CRYSTALLOGR.,SECT.F V. 72 328 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:606;
A:607;
A:608;
A:609;
A:605;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
EBS A:604;
 Valid;
 none;
 submit data
514.619 C18 H18 N4 O6 S4 CCN1c...
GOL A:610;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
CU A:603;
A:602;
A:601;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
63.546 Cu [Cu+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YVN 2.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF COTA LACCASE COMPLEXED WITH ABTS AT A N BINDING SITE BACILLUS SUBTILIS (STRAIN 168) SPORE COAT PROTEIN A OXIDOREDUCTASE LACCASE ABTS
Ref.: CRYSTAL STRUCTURE OF COTA LACCASE COMPLEXED WITH 2,2-AZINOBIS-(3-ETHYLBENZOTHIAZOLINE-6-SULFONATE) A BINDING SITE ACTA CRYSTALLOGR.,SECT.F V. 72 328 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 1OF0 - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
2 3ZDW - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
3 4YVN - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 1OF0 - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
2 3ZDW - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
3 4YVN - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1OF0 - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
2 3ZDW - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
3 4YVN - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EBS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EBS 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: EBS; 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 : 4YVN; Ligand: EBS; 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: 4yvn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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