Receptor
PDB id Resolution Class Description Source Keywords
2O1D 2 Å EC: 4.2.2.2 PECTATE LYASE BOUND TO TRISACCHARIDE BACILLUS SUBTILIS MICHAELIS COMPLEX WITH TRISACCHARIDE LYASE
Ref.: STRUCTURAL INSIGHTS INTO SUBSTRATE SPECIFICITY AND BETA-ELIMINATION MECHANISM OF PECTATE LYASE. BIOCHEMISTRY V. 49 539 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADA ADA ADA B:1;
 Valid;
 none;
 submit data
527.364 n/a O=C([...
CA A:403;
A:404;
A:405;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AMV 1.57 Å EC: 4.2.2.2 STRUCTURAL INSIGHTS INTO THE LOSS OF CATALYTIC COMPETENCE IN LYASE AT LOW PH BACILLUS SUBTILIS LYASE PECTATE LYASE BACILLUS SUBTILLIS CATALYTIC ACTIVITY
Ref.: STRUCTURAL INSIGHTS INTO THE LOSS OF CATALYTIC COMP PECTATE LYASE ACTIVITY AT LOW PH. FEBS LETT. V. 589 3242 2015
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2O0V - ADA ADA ADA ADA ADA n/a n/a
2 2O1D - ADA ADA ADA n/a n/a
3 3KRG - ADA ADA ADA ADA ADA ADA n/a n/a
4 2NZM - ADA ADA ADA ADA ADA n/a n/a
5 2O04 - ADA ADA n/a n/a
6 2O17 - ADA ADA ADA ADA ADA n/a n/a
7 5AMV - ADA ADA ADA n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2O0V - ADA ADA ADA ADA ADA n/a n/a
2 2O1D - ADA ADA ADA n/a n/a
3 3KRG - ADA ADA ADA ADA ADA ADA n/a n/a
4 2NZM - ADA ADA ADA ADA ADA n/a n/a
5 2O04 - ADA ADA n/a n/a
6 2O17 - ADA ADA ADA ADA ADA n/a n/a
7 5AMV - ADA ADA ADA n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2O0V - ADA ADA ADA ADA ADA n/a n/a
2 2O1D - ADA ADA ADA n/a n/a
3 3KRG - ADA ADA ADA ADA ADA ADA n/a n/a
4 2NZM - ADA ADA ADA ADA ADA n/a n/a
5 2O04 - ADA ADA n/a n/a
6 2O17 - ADA ADA ADA ADA ADA n/a n/a
7 5AMV - ADA ADA ADA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ADA ADA ADA; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA ADA ADA 1 1
2 ADA ADA ADA ADA ADA ADA 0.625 0.857143
3 ADA ADA ADA ADA ADA 0.625 0.857143
4 ADA ADA ADA ADA 0.625 0.857143
5 ADA ADA 0.5625 0.828571
6 ADA M8C M8C M8C ADA ADA 0.533333 0.789474
7 ADA M8C M8C M8C M8C ADA 0.506667 0.789474
8 ADA ADA ADA ADA ADA M8C 0.48 0.810811
9 RAM ADA RAM 0.472973 0.72973
10 M8C ADA ADA ADA ADA M8C 0.461538 0.789474
11 XYP GCU 0.457143 0.868421
12 ADA ADA ADA ADA M8C M8C 0.45 0.789474
13 M8C ADA ADA ADA M8C M8C 0.45 0.789474
14 LGU MAV BEM 0.447368 0.942857
15 GTR RAM GTR RAM GTR RAM 0.4375 0.810811
16 XYP XYP GCV 0.402299 0.868421
Similar Ligands (3D)
Ligand no: 1; Ligand: ADA ADA ADA; Similar ligands found: 3
No: Ligand Similarity coefficient
1 GTR ADA ADA 0.9882
2 X1X ADA ADA 0.9776
3 X0X ADA ADA 0.9756
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AMV; Ligand: 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: 5amv.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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