Receptor
PDB id Resolution Class Description Source Keywords
2W1A 2.35 Å EC: 2.5.1.54 NON-COVALENT COMPLEX BETWEEN DAHP SYNTHASE AND CHORISMATE MUTASE FROM MYCOBACTERIUM TUBERCULOSIS WITH BOUND TSA MYCOBACTERIUM TUBERCULOSIS TRANSFERASE-ISOMERASE COMPLEX AROMATIC AMINO ACID BIOSYNTHEMULTI-ENZYME COMPLEX PROTEIN-PROTEIN INTERACTIONS SHIKIMAPATHWAY
Ref.: STRUCTURE AND FUNCTION OF A COMPLEX BETWEEN CHORISM MUTASE AND DAHP SYNTHASE: EFFICIENCY BOOST FOR THE PARTNER. EMBO J. V. 28 2128 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CE1 A:1465;
Invalid;
none;
submit data
538.755 C28 H58 O9 CCCCC...
GOL A:1467;
B:1466;
B:1467;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:1463;
B:1465;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PG4 A:1466;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
SO4 A:1464;
B:1463;
B:1464;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TSA C:1091;
D:1091;
Valid;
Valid;
none;
none;
submit data
228.199 C10 H12 O6 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W1A 2.35 Å EC: 2.5.1.54 NON-COVALENT COMPLEX BETWEEN DAHP SYNTHASE AND CHORISMATE MUTASE FROM MYCOBACTERIUM TUBERCULOSIS WITH BOUND TSA MYCOBACTERIUM TUBERCULOSIS TRANSFERASE-ISOMERASE COMPLEX AROMATIC AMINO ACID BIOSYNTHEMULTI-ENZYME COMPLEX PROTEIN-PROTEIN INTERACTIONS SHIKIMAPATHWAY
Ref.: STRUCTURE AND FUNCTION OF A COMPLEX BETWEEN CHORISM MUTASE AND DAHP SYNTHASE: EFFICIENCY BOOST FOR THE PARTNER. EMBO J. V. 28 2128 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2W1A - TSA C10 H12 O6 C1[C@@H]2[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2W1A - TSA C10 H12 O6 C1[C@@H]2[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2W1A - TSA C10 H12 O6 C1[C@@H]2[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TSA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TSA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W1A; Ligand: TSA; 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: 2w1a.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2W1A; Ligand: TSA; 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: 2w1a.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2W1A; Ligand: TSA; 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: 2w1a.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2W1A; Ligand: TSA; 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: 2w1a.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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