Receptor
PDB id Resolution Class Description Source Keywords
3ZDW 2.4 Å EC: 1.-.-.- SUBSTRATE AND DIOXYGEN BINDING TO THE ENDOSPORE COAT LACCASE COTA FROM BACILLUS SUBTILIS BACILLUS SUBTILIS HYDROLASE ABTS
Ref.: SUBSTRATE AND DIOXYGEN BINDING TO THE ENDOSPORE COA LACCASE FROM BACILLUS SUBTILIS. J.BIOL.CHEM. V. 279 23472 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CU1 A:1511;
A:1512;
A:1513;
A:1514;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
63.546 Cu [Cu+]
EBS A:1516;
 Valid;
 none;
 submit data
514.619 C18 H18 N4 O6 S4 CCN1c...
GOL A:1519;
A:1520;
A:1522;
A:1523;
A:1525;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
GOL GOL A:1521;
 Invalid;
 none;
 submit data
n/a n/a
OXY A:1515;
 Invalid;
 none;
 submit data
31.999 O2 O=O
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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