Receptor
PDB id Resolution Class Description Source Keywords
3ANY 2.1 Å EC: 4.3.1.7 CRYSTAL STRUCTURE OF ETHANOLAMINE AMMONIA-LYASE FROM ESCHERI COMPLEXED WITH CN-CBL AND (R)-2-AMINO-1-PROPANOL ESCHERICHIA COLI (BETA/ALPHA)8 FOLD COBALT LYASE COBALAMIN TIM BARREL
Ref.: HOW COENZYME B12-DEPENDENT ETHANOLAMINE AMMONIA-LYA WITH BOTH ENANTIOMERS OF 2-AMINO-1-PROPANOL AS SUBS STRUCTURE-BASED RATIONALIZATION. BIOCHEMISTRY V. 50 591 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2A3 A:602;
C:602;
Valid;
Valid;
none;
none;
submit data
75.11 C3 H9 N O C[C@H...
B12 B:601;
D:601;
Part of Protein;
Part of Protein;
none;
none;
submit data
1330.36 C62 H89 Co N13 O14 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ANY 2.1 Å EC: 4.3.1.7 CRYSTAL STRUCTURE OF ETHANOLAMINE AMMONIA-LYASE FROM ESCHERI COMPLEXED WITH CN-CBL AND (R)-2-AMINO-1-PROPANOL ESCHERICHIA COLI (BETA/ALPHA)8 FOLD COBALT LYASE COBALAMIN TIM BARREL
Ref.: HOW COENZYME B12-DEPENDENT ETHANOLAMINE AMMONIA-LYA WITH BOTH ENANTIOMERS OF 2-AMINO-1-PROPANOL AS SUBS STRUCTURE-BASED RATIONALIZATION. BIOCHEMISTRY V. 50 591 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3AO0 - 2A1 C3 H9 N O C[C@@H](CO....
2 3ANY - 2A3 C3 H9 N O C[C@H](CO)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3AO0 - 2A1 C3 H9 N O C[C@@H](CO....
2 3ANY - 2A3 C3 H9 N O C[C@H](CO)....
3 5YSN - 5AD C10 H13 N5 O3 C[C@@H]1[C....
4 5YSR - 5AD C10 H13 N5 O3 C[C@@H]1[C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3AO0 - 2A1 C3 H9 N O C[C@@H](CO....
2 3ANY - 2A3 C3 H9 N O C[C@H](CO)....
3 5YSN - 5AD C10 H13 N5 O3 C[C@@H]1[C....
4 5YSR - 5AD C10 H13 N5 O3 C[C@@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2A3; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 2A3 1 1
2 2A1 1 1
3 SEL 0.5 0.708333
4 DCL 0.473684 0.826087
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ANY; Ligand: 2A3; 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: 3any.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ANY; Ligand: 2A3; 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: 3any.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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