Receptor
PDB id Resolution Class Description Source Keywords
2v8k 2.1 Å EC: 4.2.2.2 STRUCTURE OF A FAMILY 2 PECTATE LYASE IN COMPLEX WITH TRIGAL ACID YERSINIA ENTEROCOLITICA LYASE PECTATE LYASE BETA-ELIMINATION PECTIN DEGRADATION
Ref.: A FAMILY 2 PECTATE LYASE DISPLAYS A RARE FOLD AND T METAL-ASSISTED BETA-ELIMINATION. J.BIOL.CHEM. V. 282 35328 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADA ADA GTR B:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6OJL 1.5 Å EC: 4.2.2.2 STRUCTURE OF YEPL2A R194K IN COMPLEX WITH PENTAGALACTURONIC YERSINIA ENTEROCOLITICA LYASE PECTIN (ALPHA/ALPHA)8
Ref.: A SURROGATE STRUCTURAL PLATFORM INFORMED BY ANCESTR RECONSTRUCTION AND RESURRECTION OF A PUTATIVE CARBO BINDING MODULE HYBRID ILLUMINATES THE NEOFUNCTIONAL OF A PECTATE LYASE. J.STRUCT.BIOL. V. 207 279 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6OJK - ADA ADA ADA ADA n/a n/a
2 2V8K - ADA ADA GTR n/a n/a
3 6OJL - GTR ADA ADA ADA ADA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6OJK - ADA ADA ADA ADA n/a n/a
2 2V8K - ADA ADA GTR n/a n/a
3 6OJL - GTR ADA ADA ADA ADA n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6OJK - ADA ADA ADA ADA n/a n/a
2 2V8K - ADA ADA GTR n/a n/a
3 6OJL - GTR ADA ADA ADA ADA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ADA ADA GTR; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: ADA ADA GTR; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ADA ADA GTR 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6OJL; Ligand: GTR ADA ADA ADA ADA; 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: 6ojl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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