Receptor
PDB id Resolution Class Description Source Keywords
2I5S 1.9 Å EC: 3.1.27.- CRYSTAL STRUCTURE OF ONCONASE WITH BOUND NUCLEIC ACID RANA PIPIENS ONCONASE P-30 PROTEIN RIBONUCLEASE ANTI-TUMOR STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS CESG HYDROLASE/DNA COMPLEX
Ref.: STRUCTURAL BASIS FOR CATALYSIS BY ONCONASE. J.MOL.BIOL. V. 375 165 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DA DU DG DA A:2;
Valid;
none;
submit data
618.369 n/a [P+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GMK 1.65 Å EC: 3.1.27.- CRYSTAL STRUCTURE OF ONCONASE DOUBLE MUTANT WITH SPONTANEOUSLY-ASSEMBLED (AMP) 4 STACK RANA PIPIENS ONCONASE P-30 PROTEIN RIBONUCLEASE ANTI-TUMOR PROTEIN STRUCTURE INITIATIVE PSI CENTER FOR EUKARYOTIC STRUCTURALGENOMICS CESG HYDROLASE
Ref.: STRUCTURAL BASIS FOR CATALYSIS BY ONCONASE. J.MOL.BIOL. V. 375 165 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2I5S - DA DU DG DA n/a n/a
2 2GMK Ki = 590 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2I5S - DA DU DG DA n/a n/a
2 2GMK Ki = 590 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OJ8 - DA DC DG DA n/a n/a
2 1OJ1 - CG2 C19 H25 N8 O12 P c1nc2c(n1[....
3 2I5S - DA DU DG DA n/a n/a
4 2GMK Ki = 590 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DA DU DG DA; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 DA DU DG DA 1 1
2 3PD UM3 0.758929 0.939024
3 DU DU DU DU BRU DG DU 0.6 0.865169
4 DG DG 0.560345 0.870588
5 DG DC 0.540741 0.904762
6 DG DT DC 0.525547 0.896552
7 DC DG 0.519084 0.916667
8 DC DG DA DC 0.503401 0.904762
9 DG DA DC DG 0.486842 0.905882
10 DA DC DG DA 0.48366 0.905882
11 DC DG DT DA 0.466258 0.906977
12 DT DA DC DG 0.460123 0.906977
13 DG 0.451327 0.845238
14 DGP 0.451327 0.845238
15 DGI 0.440678 0.835294
16 CGP 0.434783 0.894118
17 DU DU DU DU BRU DA DU 0.421053 0.788889
18 DGT 0.414634 0.835294
19 A G U 0.412903 0.870588
20 U G A 0.410256 0.870588
21 U2G 0.410072 0.848837
22 OMC OMU OMG OMG U 0.407643 0.872093
23 G G G RPC 0.401408 0.902439
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GMK; Ligand: AMP; 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: 2gmk.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GMK; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2gmk.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GMK; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2gmk.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2GMK; Ligand: AMP; Similar sites found: 9
This union binding pocket(no: 4) in the query (biounit: 2gmk.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3SUD SUE 0.0002137 0.47445 None
2 1RC0 KT5 0.02743 0.40852 None
3 4HMT NNV 0.002992 0.40088 None
4 4HMT FMN 0.002849 0.40088 None
5 4HMX FMN 0.001029 0.44757 4.80769
6 4HMX WUB 0.001419 0.43284 4.80769
7 3DJV C3P 0.0000003466 0.82601 32.6923
8 1U1B PAX 0.0000003213 0.72677 40.3846
9 2Q4G CIT 0.0001617 0.51709 43.2692
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