Receptor
PDB id Resolution Class Description Source Keywords
2AL2 1.85 Å EC: 4.2.1.11 CRYSTAL STRUCTURE ANALYSIS OF ENOLASE MG SUBUNIT COMPLEX AT PH 8.0 SACCHAROMYCES CEREVISIAE BETA BARREL LYASE
Ref.: STRUCTURE AND CATALYTIC PROPERTIES OF AN ENGINEERED HETERODIMER OF ENOLASE COMPOSED OF ONE ACTIVE AND ONE INACTIVE SUBUNIT J.MOL.BIOL. V. 355 422 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2PG A:441;
B:441;
Valid;
Valid;
none;
none;
submit data
186.057 C3 H7 O7 P C([C@...
CL B:950;
Invalid;
none;
submit data
35.453 Cl [Cl-]
K B:960;
Part of Protein;
none;
submit data
39.098 K [K+]
MG A:438;
A:439;
B:438;
B:439;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PEP A:440;
B:440;
Valid;
Valid;
none;
none;
submit data
168.042 C3 H5 O6 P C=C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AL2 1.85 Å EC: 4.2.1.11 CRYSTAL STRUCTURE ANALYSIS OF ENOLASE MG SUBUNIT COMPLEX AT PH 8.0 SACCHAROMYCES CEREVISIAE BETA BARREL LYASE
Ref.: STRUCTURE AND CATALYTIC PROPERTIES OF AN ENGINEERED HETERODIMER OF ENOLASE COMPOSED OF ONE ACTIVE AND ONE INACTIVE SUBUNIT J.MOL.BIOL. V. 355 422 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2AL2 - PEP C3 H5 O6 P C=C(C(=O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2AL2 - PEP C3 H5 O6 P C=C(C(=O)O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2AL2 - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2PG; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 2PG 1 1
2 PEZ 0.642857 0.8
3 DG2 0.5625 0.939394
4 0V5 0.482759 0.705882
5 PEQ 0.482759 0.705882
6 G2H 0.481481 0.882353
7 XSP 0.451613 0.757576
8 036 0.439024 0.810811
9 035 0.439024 0.810811
Ligand no: 2; Ligand: PEP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PEP 1 1
2 UVW 0.44 0.709677
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AL2; Ligand: PEP; 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: 2al2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2AL2; Ligand: 2PG; 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: 2al2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2AL2; Ligand: 2PG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2al2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2AL2; Ligand: PEP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2al2.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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