Receptor
PDB id Resolution Class Description Source Keywords
2OA8 2.1 Å EC: 3.1.11.2 CRYSTAL STRUCTURE OF MTREX1 WITH SSDNA MUS MUSCULUS POLY-PROLINE HELIX SSDNA COMPLEX DNAQ FAMILY HYDROLASE-DN
Ref.: THE CRYSTAL STRUCTURE OF TREX1 EXPLAINS THE 3' NUCL SPECIFICITY AND REVEALS A POLYPROLINE II HELIX FOR PARTNERING. J.BIOL.CHEM. V. 282 10537 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:402;
B:301;
C:302;
D:401;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
DG DA DC DG C:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3B6O 2.1 Å EC: 3.1.11.2 STRUCTURE OF TREX1 IN COMPLEX WITH A NUCLEOTIDE AND AN INHIBITOR ION (LITHIUM) MUS MUSCULUS TREX1 DEDD EXONUCLEASE DNAQ LITHIUM CATALYSIS INHIBITION DEOXY-THIMIDINE MONOPHOSPHATE (DTMP) DNA DAMAGE DNA REPAIR HYDROLASE MAGNESIUM NUCLEUS PHOSPHORYLATION
Ref.: STRUCTURAL AND BIOCHEMICAL STUDIES OF TREX1 INHIBITION BY METALS. IDENTIFICATION OF A NEW ACTIVE HISTIDINE CONSERVED IN DEDDH EXONUCLEASES. PROTEIN SCI. V. 17 2059 2008
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3B6O - TMP C10 H15 N2 O8 P CC1=CN(C(=....
2 2OA8 - DG DA DC DG n/a n/a
3 3B6P - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 2O4G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
5 2IOC - D5M C10 H14 N5 O6 P c1nc(c2c(n....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3U3Y - DG DA DC DG n/a n/a
2 3U6F - DG DA DC DG n/a n/a
3 3B6O - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 2OA8 - DG DA DC DG n/a n/a
5 3B6P - TMP C10 H15 N2 O8 P CC1=CN(C(=....
6 2O4G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
7 2IOC - D5M C10 H14 N5 O6 P c1nc(c2c(n....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3U3Y - DG DA DC DG n/a n/a
2 3U6F - DG DA DC DG n/a n/a
3 3B6O - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 2OA8 - DG DA DC DG n/a n/a
5 3B6P - TMP C10 H15 N2 O8 P CC1=CN(C(=....
6 2O4G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
7 2IOC - D5M C10 H14 N5 O6 P c1nc(c2c(n....
8 6A46 - DCM C9 H14 N3 O7 P C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DG DA DC DG; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: DG DA DC DG; Similar ligands found: 1
No: Ligand Similarity coefficient
1 DG DA DC DG 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3B6O; Ligand: TMP; 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: 3b6o.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3B6O; Ligand: TMP; 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: 3b6o.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3B6O; Ligand: TMP; 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: 3b6o.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3B6O; Ligand: TMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3b6o.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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