Receptor
PDB id Resolution Class Description Source Keywords
5ZRO 1.41 Å EC: 3.-.-.- M. SMEGMATIS ANTIMUTATOR PROTEIN MUTT2 IN COMPLEX WITH 5MDCT MYCOBACTERIUM SMEGMATIS (STRAIN ATCC 7MC(2)155) NUDIX HYDROLASE MUTT ANTIMUTATOR CTP PYROPHOSPHORYLASE 5HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND CATALY MECHANISM OF MYCOBACTERIAL NUCLEOTIDE POOL SANITIZI MUTT2. J.STRUCT.BIOL. V. 204 449 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:202;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
523 B:201;
A:201;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.138;
none;
 submit data
482.191 C10 H19 N3 O13 P3 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ZRG 1.3 Å EC: 3.-.-.- M. SMEGMATIS ANTIMUTATOR PROTEIN MUTT2 IN COMPLEX WITH DCMP MYCOBACTERIUM SMEGMATIS (STRAIN ATCC 7MC(2)155) NUDIX HYDROLASE MUTT ANTIMUTATOR CTP PYROPHOSPHORYLASE DHYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND CATALY MECHANISM OF MYCOBACTERIAL NUCLEOTIDE POOL SANITIZI MUTT2. J.STRUCT.BIOL. V. 204 449 2018
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 5ZRH - C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 5ZRO - 523 C10 H19 N3 O13 P3 CC1=C(NC(=....
3 5ZRG - DCM C9 H14 N3 O7 P C1[C@@H]([....
4 5ZRL - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
5 5ZRI - 9L3 C10 H17 N3 O6 P Cc1c[n+](c....
6 5ZRK - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 5ZRH - C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 5ZRO - 523 C10 H19 N3 O13 P3 CC1=C(NC(=....
3 5ZRG - DCM C9 H14 N3 O7 P C1[C@@H]([....
4 5ZRL - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
5 5ZRI - 9L3 C10 H17 N3 O6 P Cc1c[n+](c....
6 5ZRK - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 5ZRH - C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 5ZRO - 523 C10 H19 N3 O13 P3 CC1=C(NC(=....
3 5ZRG - DCM C9 H14 N3 O7 P C1[C@@H]([....
4 5ZRL - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
5 5ZRI - 9L3 C10 H17 N3 O6 P Cc1c[n+](c....
6 5ZRK - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 523; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 523 1 1
2 6U4 0.445545 0.9
3 TTP 0.442105 0.921053
4 F6G 0.42268 0.860759
5 DUT 0.421053 0.881579
6 DCP 0.412371 0.921053
7 DGT 0.403846 0.788235
Similar Ligands (3D)
Ligand no: 1; Ligand: 523; Similar ligands found: 2
No: Ligand Similarity coefficient
1 CTP 0.9081
2 TYD 0.8608
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ZRG; Ligand: DCM; 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: 5zrg.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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