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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:1245;
B:1246;
C:1247;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
135.127 C5 H5 N5 c1[nH...
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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: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
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: 6
This union binding pocket(no: 1) in the query (biounit: 1s2d.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4KXL 6C6 None
2 5ZI9 FLC 2.99401
3 2GNM MAN 4.79042
4 4OHB 5HM 7.18563
5 4JEM C5P 7.18563
6 4P5E N6P 15.5689
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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