Receptor
PDB id Resolution Class Description Source Keywords
3A6T 1.96 Å EC: 3.6.1.- CRYSTAL STRUCTURE OF MUTT-8-OXO-DGMP COMPLEX ESCHERICHIA COLI K-12 ALPHA-BETA-ALPHA SANDWICH DNA DAMAGE DNA REPAIR DNA REPLICATION HYDROLASE MUTATOR PROTEIN
Ref.: STRUCTURAL AND DYNAMIC FEATURES OF THE MUTT PROTEIN IN THE RECOGNITION OF NUCLEOTIDES WITH THE MUTAGENIC 8-OXOGUANINE BASE J.BIOL.CHEM. V. 285 444 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8OG A:134;
Valid;
none;
Kd = 52 nM
363.221 C10 H14 N5 O8 P C1[C@...
NA A:131;
Part of Protein;
none;
submit data
22.99 Na [Na+]
SO4 A:132;
A:133;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
SUC A:130;
Invalid;
none;
submit data
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A6T 1.96 Å EC: 3.6.1.- CRYSTAL STRUCTURE OF MUTT-8-OXO-DGMP COMPLEX ESCHERICHIA COLI K-12 ALPHA-BETA-ALPHA SANDWICH DNA DAMAGE DNA REPAIR DNA REPLICATION HYDROLASE MUTATOR PROTEIN
Ref.: STRUCTURAL AND DYNAMIC FEATURES OF THE MUTT PROTEIN IN THE RECOGNITION OF NUCLEOTIDES WITH THE MUTAGENIC 8-OXOGUANINE BASE J.BIOL.CHEM. V. 285 444 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 3A6T Kd = 52 nM 8OG C10 H14 N5 O8 P C1[C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 3A6T Kd = 52 nM 8OG C10 H14 N5 O8 P C1[C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 3A6T Kd = 52 nM 8OG C10 H14 N5 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8OG; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 8OG 1 1
2 8GD 0.815789 0.9875
3 8DG 0.775 0.9875
4 8HG 0.742857 0.888889
5 8GM 0.585366 0.949367
6 G8D 0.494505 0.9375
7 8GT 0.483871 0.9375
8 DCM 0.44186 0.873418
9 DC 0.44186 0.873418
10 UMP 0.435294 0.835443
11 DU 0.435294 0.835443
12 QBT 0.435294 0.780488
13 UFP 0.430233 0.807229
14 BRU 0.425287 0.807229
15 TMP 0.425287 0.82716
16 5HU 0.425287 0.817073
17 UMC 0.423529 0.790123
18 5IU 0.420455 0.807229
19 DDN 0.406977 0.835443
20 DGP 0.404255 0.855422
21 DG 0.404255 0.855422
22 8DD 0.4 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A6T; Ligand: 8OG; 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: 3a6t.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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