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 (2D)
Ligand no: 1; Ligand: TSA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TSA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TSA; Similar ligands found: 23
No: Ligand Similarity coefficient
1 PRE 0.9519
2 ISJ 0.9487
3 FLC 0.9050
4 KDO 0.9039
5 CIT 0.9012
6 7A2 0.8910
7 KAI 0.8882
8 94E 0.8878
9 HCA 0.8833
10 K2Q 0.8757
11 8VN 0.8708
12 8WQ 0.8703
13 8VE 0.8702
14 40H 0.8700
15 3S4 0.8697
16 NZ2 0.8655
17 R1P 0.8629
18 ICT 0.8618
19 TRC 0.8604
20 GLY ASP 0.8592
21 NQM 0.8556
22 SKM 0.8550
23 JJQ 0.8548
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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