Receptor
PDB id Resolution Class Description Source Keywords
4J6O 1.6 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF THE PHOSPHATASE DOMAIN OF C. THERMOCELL (BACTERIAL) PNKP CLOSTRIDIUM THERMOCELLUM ALPHA/BETA FOLD CALCINEURIN-LIKE PHOSPHATASE METALLOENZYMHYDROLASE
Ref.: STRUCTURE AND MECHANISM OF THE 2',3' PHOSPHATASE CO OF THE BACTERIAL PNKP-HEN1 RNA REPAIR SYSTEM. NUCLEIC ACIDS RES. V. 41 5864 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:509;
A:501;
B:502;
Valid;
Invalid;
Valid;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
GOL B:508;
B:507;
B:505;
B:504;
A:507;
B:506;
A:506;
A:505;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PG4 B:503;
A:504;
A:503;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
PGE A:502;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
MN A:508;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J6O 1.6 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF THE PHOSPHATASE DOMAIN OF C. THERMOCELL (BACTERIAL) PNKP CLOSTRIDIUM THERMOCELLUM ALPHA/BETA FOLD CALCINEURIN-LIKE PHOSPHATASE METALLOENZYMHYDROLASE
Ref.: STRUCTURE AND MECHANISM OF THE 2',3' PHOSPHATASE CO OF THE BACTERIAL PNKP-HEN1 RNA REPAIR SYSTEM. NUCLEIC ACIDS RES. V. 41 5864 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4J6O - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 4J6O - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4J6O - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4J6O; Ligand: CIT; 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: 4j6o.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4J6O; Ligand: CIT; 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: 4j6o.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4J6O; Ligand: CIT; 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: 4j6o.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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