Receptor
PDB id Resolution Class Description Source Keywords
2FP2 1.64 Å EC: 5.4.99.5 SECRETED CHORISMATE MUTASE FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS ALPHA-HELICAL ISOMERASE
Ref.: 1.6A CRYSTAL STRUCTURE OF THE SECRETED CHORISMATE M FROM MYCOBACTERIUM TUBERCULOSIS: NOVEL FOLD TOPOLOG REVEALED J.MOL.BIOL. V. 357 1483 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TSA B:500;
Valid;
none;
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228.199 C10 H12 O6 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FP2 1.64 Å EC: 5.4.99.5 SECRETED CHORISMATE MUTASE FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS ALPHA-HELICAL ISOMERASE
Ref.: 1.6A CRYSTAL STRUCTURE OF THE SECRETED CHORISMATE M FROM MYCOBACTERIUM TUBERCULOSIS: NOVEL FOLD TOPOLOG REVEALED J.MOL.BIOL. V. 357 1483 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2AO2 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2FP2 - TSA C10 H12 O6 C1[C@@H]2[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2AO2 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2FP2 - TSA C10 H12 O6 C1[C@@H]2[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2AO2 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2FP2 - 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 : 2FP2; Ligand: TSA; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 2fp2.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1ECM TSA 39.4495
2 1ECM TSA 39.4495
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