Receptor
PDB id Resolution Class Description Source Keywords
6S0M 2 Å EC: 3.1.13.- STRUCTURAL AND DYNAMIC STUDIES PROVIDE INSIGHTS INTO SPECIFI ALLOSTERIC REGULATION OF RIBONUCLEASE AS, A KEY ENZYME IN M YCOBACTERIAL VIRULENCE MYCOBACTERIUM TUBERCULOSIS ---- RNA BINDING PROTEIN
Ref.: STRUCTURAL AND DYNAMIC STUDIES PROVIDE INSIGHTS INT SPECIFICITY AND ALLOSTERIC REGULATION OF RIBONUCLEA KEY ENZYME IN MYCOBACTERIAL VIRULENCE. J.BIOMOL.STRUCT.DYN. V. 38 2455 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:203;
A:201;
B:202;
B:201;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
G G C:211;
 Valid;
 Atoms found LESS than expected: % Diff = 0.489;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OKE 1.7 Å EC: 3.1.13.- STRUCTURE OF RNASE AS, A POLYADENYLATE-SPECIFIC EXORIBONUCLE AFFECTING MYCOBACTERIAL VIRULENCE IN VIVO MYCOBACTERIUM TUBERCULOSIS M. TUBERCULOSIS RIBONUCLEASE CAPSULAR POLYSACCHARIDES VIRHYDROLASE
Ref.: STRUCTURE AND FUNCTION OF RNASE AS, A POLYADENYLATE EXORIBONUCLEASE AFFECTING MYCOBACTERIAL VIRULENCE I STRUCTURE V. 22 719 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6S0M - G G n/a n/a
2 4OKE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 4OKK - U5P C9 H13 N2 O9 P C1=CN(C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6S0M - G G n/a n/a
2 4OKE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 4OKK - U5P C9 H13 N2 O9 P C1=CN(C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6S0M - G G n/a n/a
2 4OKE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 4OKK - U5P C9 H13 N2 O9 P C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G G ; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: G G ; Similar ligands found: 8
No: Ligand Similarity coefficient
1 G G 1.0000
2 A G 0.9840
3 G A 0.9812
4 A A 0.9637
5 C G 0.9457
6 C2E 0.9210
7 2BA 0.9000
8 C U 0.8882
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OKE; Ligand: AMP; 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: 4oke.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4OKE; Ligand: AMP; 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: 4oke.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4OKE; Ligand: AMP; 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: 4oke.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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