Receptor
PDB id Resolution Class Description Source Keywords
1S3F 2.2 Å EC: 2.4.2.6 PURINE 2'-DEOXYRIBOSYLTRANSFERASE + SELENOINOSINE LACTOBACILLUS HELVETICUS SELENOINOSINE COMPLEX TRANSFERASE
Ref.: STRUCTURES OF PURINE 2'-DEOXYRIBOSYLTRANSFERASE, SU COMPLEXES, AND THE RIBOSYLATED ENZYME INTERMEDIATE RESOLUTION. BIOCHEMISTRY V. 43 2384 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SNI A:745;
B:746;
C:747;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
331.187 C10 H12 N4 O4 Se c1nc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1S2D 2.1 Å EC: 2.4.2.6 PURINE 2'-DEOXYRIBOSYL COMPLEX WITH ARABINOSIDE: RIBOSYLATED INTERMEDIATE (ARAA) LACTOBACILLUS HELVETICUS RIBOSYLATE INTERMEDIATE PTD ARAA TRANSFERASE
Ref.: STRUCTURES OF PURINE 2'-DEOXYRIBOSYLTRANSFERASE, SU COMPLEXES, AND THE RIBOSYLATED ENZYME INTERMEDIATE RESOLUTION. BIOCHEMISTRY V. 43 2384 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1S2D - ADE C5 H5 N5 c1[nH]c2c(....
2 1S2I - BP1 C5 H3 Br N4 c1[nH]c2c(....
3 1S2G - 3D1 C10 H13 N5 O3 c1nc(c2c(n....
4 1S3F - SNI C10 H12 N4 O4 Se c1nc2c(n1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1S2D - ADE C5 H5 N5 c1[nH]c2c(....
2 1S2I - BP1 C5 H3 Br N4 c1[nH]c2c(....
3 1S2G - 3D1 C10 H13 N5 O3 c1nc(c2c(n....
4 1S3F - SNI C10 H12 N4 O4 Se c1nc2c(n1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1S2D - ADE C5 H5 N5 c1[nH]c2c(....
2 1S2I - BP1 C5 H3 Br N4 c1[nH]c2c(....
3 1S2G - 3D1 C10 H13 N5 O3 c1nc(c2c(n....
4 1S3F - SNI C10 H12 N4 O4 Se c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SNI; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 SNI 1 1
2 NOS 0.646154 0.953846
3 IMP 0.475 0.8
4 GMP 0.453333 0.898551
5 CFE 0.453333 0.895522
6 IDP 0.447059 0.813333
7 R7I 0.411111 0.813333
8 R5I 0.411111 0.813333
9 13A 0.402597 0.731707
10 SIB 0.402174 0.797297
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1S2D; Ligand: ADE; 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: 1s2d.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1S2D; Ligand: ADE; 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: 1s2d.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1S2D; Ligand: ADE; 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: 1s2d.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1S2D; Ligand: ADE; 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: 1s2d.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1S2D; Ligand: ADE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1s2d.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1S2D; Ligand: ADE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1s2d.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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