Receptor
PDB id Resolution Class Description Source Keywords
5AG3 1.9 Å EC: 1.-.-.- CHORISMATASE MECHANISMS REVEAL FUNDAMENTALLY DIFFERENT TYPES REACTION IN A SINGLE CONSERVED PROTEIN FOLD STREPTOMYCES HYGROSCOPICUS OXIDOREDUCTASE PROTEIN
Ref.: CHORISMATASE MECHANISMS REVEAL FUNDAMENTALLY DIFFER OF REACTION IN A SINGLE CONSERVED PROTEIN FOLD. J.AM.CHEM.SOC. V. 137 11032 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3EB B:1341;
A:1341;
Valid;
Valid;
none;
none;
submit data
194.184 C10 H10 O4 c1cc(...
SO4 C:1341;
B:1342;
C:1342;
A:1342;
A:1343;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
PEG A:1347;
B:1343;
C:1344;
A:1344;
A:1350;
A:1346;
B:1344;
C:1345;
C:1343;
A:1349;
C:1346;
A:1348;
A:1345;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AG3 1.9 Å EC: 1.-.-.- CHORISMATASE MECHANISMS REVEAL FUNDAMENTALLY DIFFERENT TYPES REACTION IN A SINGLE CONSERVED PROTEIN FOLD STREPTOMYCES HYGROSCOPICUS OXIDOREDUCTASE PROTEIN
Ref.: CHORISMATASE MECHANISMS REVEAL FUNDAMENTALLY DIFFER OF REACTION IN A SINGLE CONSERVED PROTEIN FOLD. J.AM.CHEM.SOC. V. 137 11032 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5AG3 - 3EB C10 H10 O4 c1cc(cc(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5AG3 - 3EB C10 H10 O4 c1cc(cc(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5AG3 - 3EB C10 H10 O4 c1cc(cc(c1....
2 4BPS Ki = 1.02 mM 3EB C10 H10 O4 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3EB; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 3EB 1 1
2 HCI 0.44186 0.736842
3 8G0 0.435897 0.736842
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AG3; Ligand: 3EB; 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: 5ag3.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5AG3; Ligand: 3EB; 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: 5ag3.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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