Receptor
PDB id Resolution Class Description Source Keywords
5Z9T 1.8 Å EC: 4.-.-.- A NEW PL6 ALGINATE LYASE COMPLEX WITH TRISACCHARIDE VIBRIO SPLENDIDUS COMPELX STRUCTURE LYASE
Ref.: STRUCTURAL INSIGHTS INTO A NOVEL CA2+-INDEPENDENT P ALGINATE LYASE FROM VIBRIO OU02 IDENTIFY THE POSSIB SUBSITES RESPONSIBLE FOR PRODUCT DISTRIBUTION. BIOCHIM BIOPHYS ACTA GEN V.1863 1167 2019 SUBJ
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LGU LGU LGU C:1;
D:1;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.027;
Atoms found LESS than expected: % Diff = 0.027;
submit data
n/a n/a
NA A:601;
B:601;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
MLI B:602;
A:602;
Invalid;
Invalid;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
GOL B:603;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A40 1.8 Å EC: 4.-.-.- COMPLEX STRUCTURE OF ALGINATE LYASE ALYF-OU02 WITH G4 VIBRIO SPLENDIDUS PL6 COMPLEX STRUCTURE CAZY LYASE
Ref.: STRUCTURAL INSIGHTS INTO A NOVEL CA2+-INDEPENDENT P ALGINATE LYASE FROM VIBRIO OU02 IDENTIFY THE POSSIB SUBSITES RESPONSIBLE FOR PRODUCT DISTRIBUTION. BIOCHIM BIOPHYS ACTA GEN V.1863 1167 2019 SUBJ
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 6A40 - LGU LGU LGU LGU n/a n/a
2 5Z9T - LGU LGU LGU n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 59 families.
1 6A40 - LGU LGU LGU LGU n/a n/a
2 5Z9T - LGU LGU LGU n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 47 families.
1 6A40 - LGU LGU LGU LGU n/a n/a
2 5Z9T - LGU LGU LGU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LGU LGU LGU; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: LGU LGU LGU; 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 : 6A40; Ligand: LGU LGU LGU LGU; 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: 6a40.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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