Receptor
PDB id Resolution Class Description Source Keywords
3TFC 1.95 Å NON-ENZYME: OTHER 1.95 ANGSTROM CRYSTAL STRUCTURE OF A BIFUNCTIONAL 3-DEOXY-7- PHOSPHOHEPTULONATE SYNTHASE/CHORISMATE MUTASE (AROA) FROM LM ONOCYTOGENES EGD-E IN COMPLEX WITH PHOSPHOENOLPYRUVATE LISTERIA MONOCYTOGENES STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID (BETA/ALPHA) BARREL TIM BARREL TRANSFERAISOMERASE COMPLEX
Ref.: STRUCTURAL ANALYSIS OF A 3-DEOXY-D-ARABINO-HEPTULOS 7-PHOSPHATE SYNTHASE WITH AN N-TERMINAL CHORISMATE MUTASE-LIKE REGULATORY DOMAIN. PROTEIN SCI. V. 21 887 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:363;
B:363;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
MN A:362;
B:362;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PEP A:1268;
B:1269;
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
3TFC 1.95 Å NON-ENZYME: OTHER 1.95 ANGSTROM CRYSTAL STRUCTURE OF A BIFUNCTIONAL 3-DEOXY-7- PHOSPHOHEPTULONATE SYNTHASE/CHORISMATE MUTASE (AROA) FROM LM ONOCYTOGENES EGD-E IN COMPLEX WITH PHOSPHOENOLPYRUVATE LISTERIA MONOCYTOGENES STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID (BETA/ALPHA) BARREL TIM BARREL TRANSFERAISOMERASE COMPLEX
Ref.: STRUCTURAL ANALYSIS OF A 3-DEOXY-D-ARABINO-HEPTULOS 7-PHOSPHATE SYNTHASE WITH AN N-TERMINAL CHORISMATE MUTASE-LIKE REGULATORY DOMAIN. PROTEIN SCI. V. 21 887 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3TFC - 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 1205 families.
1 3TFC - 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 1039 families.
1 3TFC - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 3TFC; Ligand: PEP; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 3tfc.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5UXM PEP 2.33766
2 4UMA GZ3 27.3504
3 5CKS 52L 27.3504
4 1OF8 PEP 28.8312
5 1OF8 G3P 28.8312
6 2NX1 PEP 46.4419
7 2NX1 RP5 46.4419
Pocket No.: 2; Query (leader) PDB : 3TFC; 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: 2) in the query (biounit: 3tfc.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3TFC; 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: 3) in the query (biounit: 3tfc.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3TFC; 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: 3tfc.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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