Receptor
PDB id Resolution Class Description Source Keywords
4GO7 2 Å EC: 2.7.2.4 THE REGULATORY SUBUNIT OF ASPARTATE KINASE IN COMPLEX WITH T FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS TRANSFERASE
Ref.: STRUCTURAL VIEW OF THE REGULATORY SUBUNIT OF ASPART KINASE FROM MYCOBACTERIUM TUBERCULOSIS. PROTEIN CELL V. 2 745 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
THR X:201;
Valid;
none;
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119.119 C4 H9 N O3 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GO7 2 Å EC: 2.7.2.4 THE REGULATORY SUBUNIT OF ASPARTATE KINASE IN COMPLEX WITH T FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS TRANSFERASE
Ref.: STRUCTURAL VIEW OF THE REGULATORY SUBUNIT OF ASPART KINASE FROM MYCOBACTERIUM TUBERCULOSIS. PROTEIN CELL V. 2 745 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4GO7 - THR C4 H9 N O3 C[C@H]([C@....
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 4GO7 - THR C4 H9 N O3 C[C@H]([C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4GO7 - THR C4 H9 N O3 C[C@H]([C@....
2 2DT9 - THR C4 H9 N O3 C[C@H]([C@....
3 2DTJ - THR C4 H9 N O3 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THR; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 THR 1 1
2 ALO 1 1
3 VAL 0.65 0.714286
4 DAL 0.578947 0.789474
5 ALA 0.578947 0.789474
6 VAH 0.541667 0.76
7 ILE 0.541667 0.6
8 HGY 0.526316 0.625
9 AHB 0.5 0.6
10 AKB 0.434783 0.857143
11 DBB 0.434783 0.625
12 ABA 0.434783 0.625
13 LFC 0.407407 0.619048
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GO7; Ligand: THR; 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: 4go7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4GO7; Ligand: THR; 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: 4go7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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