Receptor
PDB id Resolution Class Description Source Keywords
1XQP 1.69 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF 8-OXOGUANOSINE COMPLEXED PA-AGOG, 8-OXO DNA GLYCOSYLASE FROM PYROBACULUM AEROPHILUM PYROBACULUM AEROPHILUM HELIX-HAIRPIN-HELIX 8-OXOGUANINE DNA GLYCOSYLASE ARCHAEA P.AEROPHILUM PA-AGOG-8-OXOGUANOSINE COMPLEX DNA REPAIR L
Ref.: A DNA GLYCOSYLASE FROM PYROBACULUM AEROPHILUM WITH 8-OXOGUANINE BINDING MODE AND A NONCANONICAL HELIX-HAIRPIN-HELIX STRUCTURE STRUCTURE V. 13 87 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8HG A:257;
A:258;
Valid;
Valid;
none;
none;
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283.241 C10 H13 N5 O5 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XQP 1.69 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF 8-OXOGUANOSINE COMPLEXED PA-AGOG, 8-OXO DNA GLYCOSYLASE FROM PYROBACULUM AEROPHILUM PYROBACULUM AEROPHILUM HELIX-HAIRPIN-HELIX 8-OXOGUANINE DNA GLYCOSYLASE ARCHAEA P.AEROPHILUM PA-AGOG-8-OXOGUANOSINE COMPLEX DNA REPAIR L
Ref.: A DNA GLYCOSYLASE FROM PYROBACULUM AEROPHILUM WITH 8-OXOGUANINE BINDING MODE AND A NONCANONICAL HELIX-HAIRPIN-HELIX STRUCTURE STRUCTURE V. 13 87 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 38 families.
1 1XQP - 8HG C10 H13 N5 O5 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 35 families.
1 1XQP - 8HG C10 H13 N5 O5 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 27 families.
1 1XQP - 8HG C10 H13 N5 O5 C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8HG; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 8HG 1 1
2 8OG 0.742857 0.888889
3 8GD 0.706667 0.901235
4 8DG 0.670886 0.901235
5 8GM 0.481481 0.839506
6 G8D 0.465116 0.851852
7 8GT 0.454545 0.851852
8 8DA 0.454545 0.934211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XQP; Ligand: 8HG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1xqp.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XQP; Ligand: 8HG; Similar sites found: 13
This union binding pocket(no: 2) in the query (biounit: 1xqp.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LZJ 22H 0.01499 0.41151 1.17188
2 4YRD 3IT 0.01167 0.41502 3.125
3 3SP6 IL2 0.01481 0.40361 3.125
4 2CKM AA7 0.04731 0.4034 3.51562
5 3A8H TAY 0.004922 0.43386 5.18868
6 4JGT PYR 0.01401 0.40435 6.64062
7 3T03 3T0 0.002365 0.43783 7.03125
8 3G9E RO7 0.01172 0.42724 7.03125
9 2PRG BRL 0.0098 0.41038 7.03125
10 4OKZ 3E9 0.01442 0.40928 7.03125
11 3F10 8HG 0.0008098 0.42027 7.8125
12 2F67 12B 0.02092 0.405 10.559
13 4OMJ 2TX 0.02365 0.40931 14.4531
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