Receptor
PDB id Resolution Class Description Source Keywords
6g3h 2.27 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF EDDS LYASE IN COMPLEX WITH SS-EDDS CHELATIVORANS SP. (STRAIN BNC1) C-N LYASE METAL CHELATOR EDDS TETRAMER ASPARTASE FUMARASSUPERFAMILY LYASE
Ref.: STRUCTURAL BASIS FOR THE CATALYTIC MECHANISM OF ETHYLENEDIAMINE- N, N'-DISUCCINIC ACID LYASE, A CARBON-NITROGEN BOND-FORMING ENZYME WITH A BROAD SU SCOPE. BIOCHEMISTRY V. 57 3752 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EKQ A:601;
 Valid;
 none;
 submit data
292.243 C10 H16 N2 O8 C(CN[...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RX8 1.92 Å EC: 4.-.-.- EDDS LYASE VARIANT D290M/Y320M WITH BOUND FUMARATE CHELATIVORANS SP. (STRAIN BNC1) EDDS LYASE C-N LYASE ASPARTASE/FUMARASE PROTEIN ENGINEERI
Ref.: ENGINEERED C-N LYASE: ENANTIOSELECTIVE SYNTHESIS OF SYNTHONS FOR ARTIFICIAL DIPEPTIDE SWEETENERS. ANGEW.CHEM.INT.ED.ENGL. V. 59 429 2020
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 6RX8 - FUM C4 H4 O4 C(=C/C(=O)....
2 6G3H - EKQ C10 H16 N2 O8 C(CN[C@@H]....
3 6G3F - FUM C4 H4 O4 C(=C/C(=O)....
4 6G3I - EKN C6 H12 N2 O4 C(CN[C@@H]....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 59 families.
1 6RX8 - FUM C4 H4 O4 C(=C/C(=O)....
2 6G3H - EKQ C10 H16 N2 O8 C(CN[C@@H]....
3 6G3F - FUM C4 H4 O4 C(=C/C(=O)....
4 6G3I - EKN C6 H12 N2 O4 C(CN[C@@H]....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 47 families.
1 6RX8 - FUM C4 H4 O4 C(=C/C(=O)....
2 6G3H - EKQ C10 H16 N2 O8 C(CN[C@@H]....
3 6G3F - FUM C4 H4 O4 C(=C/C(=O)....
4 6G3I - EKN C6 H12 N2 O4 C(CN[C@@H]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EKQ; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 EKQ 1 1
2 EKN 0.677419 0.891892
3 NCD 0.454545 0.627907
4 NFQ 0.428571 0.65
Similar Ligands (3D)
Ligand no: 1; Ligand: EKQ; 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 : 6RX8; Ligand: FUM; 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: 6rx8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6RX8; Ligand: FUM; 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: 6rx8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6RX8; Ligand: FUM; 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: 6rx8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6RX8; Ligand: FUM; 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: 6rx8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6RX8; Ligand: FUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6rx8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6RX8; Ligand: FUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6rx8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6RX8; Ligand: FUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6rx8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6RX8; Ligand: FUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6rx8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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