Receptor
PDB id Resolution Class Description Source Keywords
2Z9I 2 Å EC: 3.4.21.- CRYSTAL STRUCTURE OF RV0983 FROM MYCOBACTERIUM TUBERCULOSIS- PROTEOLYTICALLY ACTIVE FORM MYCOBACTERIUM TUBERCULOSIS SERINE PROTEASE HTRA HYDROLASE
Ref.: STRUCTURE AND FUNCTION OF THE VIRULENCE-ASSOCIATED HIGH-TEMPERATURE REQUIREMENT A OF MYCOBACTERIUM TUBERCULOSIS BIOCHEMISTRY V. 47 6092 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY ALA THR VAL G:1;
H:3;
I:2;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
117.128 n/a O=C(N...
SER VAL GLU GLN VAL D:408;
E:408;
F:407;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Z9I 2 Å EC: 3.4.21.- CRYSTAL STRUCTURE OF RV0983 FROM MYCOBACTERIUM TUBERCULOSIS- PROTEOLYTICALLY ACTIVE FORM MYCOBACTERIUM TUBERCULOSIS SERINE PROTEASE HTRA HYDROLASE
Ref.: STRUCTURE AND FUNCTION OF THE VIRULENCE-ASSOCIATED HIGH-TEMPERATURE REQUIREMENT A OF MYCOBACTERIUM TUBERCULOSIS BIOCHEMISTRY V. 47 6092 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2Z9I - GLY ALA THR VAL n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2Z9I - GLY ALA THR VAL n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2Z9I - GLY ALA THR VAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY ALA THR VAL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ALA THR VAL 1 1
2 GLY GLY GLY 0.645161 0.965517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Z9I; Ligand: GLY ALA THR VAL; 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: 2z9i.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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