Receptor
PDB id Resolution Class Description Source Keywords
4OJZ 1.9 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF ALG17C MUTANT Y258A COMPLEXED WITH ALGI TRISACCHARIDE SACCHAROPHAGUS DEGRADANS ALGINATE LYASE LYASE
Ref.: STRUCTURE OF A PL17 FAMILY ALGINATE LYASE DEMONSTRA FUNCTIONAL SIMILARITIES AMONG EXOTYPE DEPOLYMERASES J.BIOL.CHEM. V. 289 8645 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:801;
A:801;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
LGU MAV BEM D:1;
C:1;
Valid;
Valid;
none;
none;
Ka = 9900 M^-1
527.364 n/a O=C([...
EDO A:805;
B:805;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OJZ 1.9 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF ALG17C MUTANT Y258A COMPLEXED WITH ALGI TRISACCHARIDE SACCHAROPHAGUS DEGRADANS ALGINATE LYASE LYASE
Ref.: STRUCTURE OF A PL17 FAMILY ALGINATE LYASE DEMONSTRA FUNCTIONAL SIMILARITIES AMONG EXOTYPE DEPOLYMERASES J.BIOL.CHEM. V. 289 8645 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 4OJZ Ka = 9900 M^-1 LGU MAV BEM n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 59 families.
1 4OJZ Ka = 9900 M^-1 LGU MAV BEM n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 47 families.
1 4OJZ Ka = 9900 M^-1 LGU MAV BEM n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LGU MAV BEM; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 LGU MAV BEM 1 1
2 ADA AQA 0.890909 0.969697
3 ADA ADA ADA ADA ADA 0.650794 0.909091
4 ADA ADA ADA ADA 0.650794 0.909091
5 ADA ADA ADA ADA ADA ADA 0.650794 0.909091
6 ADA ADA 0.587302 0.878788
7 ADA ADA ADA ADA ADA M8C 0.585714 0.857143
8 GTR RAM GTR RAM GTR RAM 0.575342 0.857143
9 ADA M8C M8C M8C ADA ADA 0.554054 0.833333
10 GCU MAV MAW 0.546667 0.857143
11 ADA ADA ADA ADA M8C M8C 0.546667 0.833333
12 MAV LGU MAV BEM 0.546667 0.857143
13 ADA M8C M8C M8C M8C ADA 0.527027 0.833333
14 M8C ADA ADA ADA ADA M8C 0.52 0.833333
15 M8C ADA ADA ADA M8C M8C 0.506494 0.833333
16 RAM ADA RAM 0.453333 0.771429
17 ADA ADA ADA 0.447368 0.942857
18 LGU MAW 0.426667 0.828571
19 NAG GC4 0.419753 0.632653
Similar Ligands (3D)
Ligand no: 1; Ligand: LGU MAV BEM; Similar ligands found: 2
No: Ligand Similarity coefficient
1 BMA BMA BMA 0.8850
2 MAN BMA BMA 0.8820
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OJZ; Ligand: LGU MAV BEM; 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: 4ojz.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4OJZ; Ligand: LGU MAV BEM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ojz.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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