Receptor
PDB id Resolution Class Description Source Keywords
2O17 2.3 Å EC: 4.2.2.2 PECTATE LYASE BOUND TO HEXASACCHARIDE BACILLUS SUBTILIS MICHAELIS COMPLEX WITH HEXASACCHARIDE 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 ADA ADA B:1;
Valid;
none;
submit data
893.595 n/a O=C([...
CA A:405;
A:406;
A:407;
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 ADA ADA; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA ADA ADA ADA ADA ADA 1 1
2 ADA ADA ADA ADA ADA 1 1
3 ADA ADA ADA ADA 1 1
4 ADA ADA 0.918367 0.966667
5 ADA M8C M8C M8C ADA ADA 0.816667 0.909091
6 ADA M8C M8C M8C M8C ADA 0.783333 0.909091
7 ADA ADA ADA ADA ADA M8C 0.75 0.9375
8 ADA ADA ADA ADA M8C M8C 0.692308 0.909091
9 M8C ADA ADA ADA ADA M8C 0.661538 0.909091
10 GTR RAM GTR RAM GTR RAM 0.651515 0.9375
11 LGU MAV BEM 0.650794 0.909091
12 M8C ADA ADA ADA M8C M8C 0.641791 0.909091
13 ADA ADA ADA 0.625 0.857143
14 MAV LGU MAV BEM 0.594203 0.9375
15 GCU MAV MAW 0.594203 0.9375
16 ADA AQA 0.555556 0.878788
17 RAM ADA RAM 0.514706 0.84375
18 LGU MAW 0.463768 0.90625
19 NAG BDP 0.438356 0.604167
20 XYP GCU 0.411765 0.736842
Similar Ligands (3D)
Ligand no: 1; Ligand: ADA ADA ADA ADA ADA; 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 : 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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