Receptor
PDB id Resolution Class Description Source Keywords
1X1J 2.1 Å EC: 4.2.2.12 CRYSTAL STRUCTURE OF XANTHAN LYASE (N194A) WITH A SUBSTRATE. BACILLUS SP. GL1 ALPHA/ALPHA BARREL BETA SANDWICH LYASE
Ref.: CRYSTAL STRUCTURE OF BACILLUS SP. GL1 XANTHAN LYASE COMPLEXED WITH A SUBSTRATE: INSIGHTS INTO THE ENZYME REACTION MECHANISM J.MOL.BIOL. V. 350 974 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
46D A:2001;
 Valid;
 none;
 submit data
426.327 C15 H22 O14 C[C@@...
CA A:2000;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2E22 2.4 Å EC: 4.2.2.12 CRYSTAL STRUCTURE OF XANTHAN LYASE IN COMPLEX WITH MANNOSE BACILLUS SP. XANTHAN MANNOSE POLYSACCHARIDE LYASE LYASE
Ref.: A STRUCTURAL FACTOR RESPONSIBLE FOR SUBSTRATE RECOG BACILLUS SP. GL1 XANTHAN LYASE THAT ACTS SPECIFICAL PYRUVATED SIDE CHAINS OF XANTHAN BIOCHEMISTRY V. 46 781 2007
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1J0N - CEG C9 H14 O8 C[C@@]1(OC....
2 1X1I - 46M C9 H14 O8 C[C@@]1(OC....
3 1X1J - 46D C15 H22 O14 C[C@@]1(OC....
4 2E22 Ki = 837 mM MAN C6 H12 O6 C([C@@H]1[....
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 1J0N - CEG C9 H14 O8 C[C@@]1(OC....
2 1X1I - 46M C9 H14 O8 C[C@@]1(OC....
3 1X1J - 46D C15 H22 O14 C[C@@]1(OC....
4 2E22 Ki = 837 mM MAN C6 H12 O6 C([C@@H]1[....
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 1J0N - CEG C9 H14 O8 C[C@@]1(OC....
2 1X1I - 46M C9 H14 O8 C[C@@]1(OC....
3 1X1J - 46D C15 H22 O14 C[C@@]1(OC....
4 2E22 Ki = 837 mM MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 46D; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 46D 1 1
2 CDG 0.594203 0.846154
3 8VR 0.536232 0.916667
4 CEG 0.536232 0.916667
5 46M 0.536232 0.916667
6 6LA 0.481013 0.693878
7 KPM 0.442105 0.705882
Similar Ligands (3D)
Ligand no: 1; Ligand: 46D; 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 : 2E22; Ligand: MAN; 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: 2e22.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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