Receptor
PDB id Resolution Class Description Source Keywords
3C2O 2.3 Å EC: 2.4.2.19 CRYSTAL STRUCTURE OF THE QUINOLINATE PHOSPHORIBOSYL TRANSFER FROM SACHHAROMYCES CEREVISIAE COMPLEXED WITH QUINOLINATE SACCHAROMYCES CEREVISIAE QPRTASE PRTASE BNA6 QUINOLINATE CYTOPLASM GLYCOSYLTRANSNUCLEUS PYRIDINE NUCLEOTIDE BIOSYNTHESIS TRANSFERASE
Ref.: COMPREHENSIVE X-RAY STRUCTURAL STUDIES OF THE QUINO PHOSPHORIBOSYL TRANSFERASE (BNA6) FROM SACCHAROMYCE CEREVISIAE. BIOCHEMISTRY V. 47 4039 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NTM A:300;
Valid;
none;
Kd = 0.45 mM
167.119 C7 H5 N O4 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3C2O 2.3 Å EC: 2.4.2.19 CRYSTAL STRUCTURE OF THE QUINOLINATE PHOSPHORIBOSYL TRANSFER FROM SACHHAROMYCES CEREVISIAE COMPLEXED WITH QUINOLINATE SACCHAROMYCES CEREVISIAE QPRTASE PRTASE BNA6 QUINOLINATE CYTOPLASM GLYCOSYLTRANSNUCLEUS PYRIDINE NUCLEOTIDE BIOSYNTHESIS TRANSFERASE
Ref.: COMPREHENSIVE X-RAY STRUCTURAL STUDIES OF THE QUINO PHOSPHORIBOSYL TRANSFERASE (BNA6) FROM SACCHAROMYCE CEREVISIAE. BIOCHEMISTRY V. 47 4039 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3C2R Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
2 3C2F Kd = 10.1 mM PRP C5 H13 O14 P3 C([C@@H]1[....
3 3C2O Kd = 0.45 mM NTM C7 H5 N O4 c1cc(c(nc1....
4 3C2V Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3C2R Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
2 3C2F Kd = 10.1 mM PRP C5 H13 O14 P3 C([C@@H]1[....
3 3C2O Kd = 0.45 mM NTM C7 H5 N O4 c1cc(c(nc1....
4 3C2V Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2JBM - SRT C4 H6 O6 [C@H]([C@H....
2 3C2R Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
3 3C2F Kd = 10.1 mM PRP C5 H13 O14 P3 C([C@@H]1[....
4 3C2O Kd = 0.45 mM NTM C7 H5 N O4 c1cc(c(nc1....
5 3C2V Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
6 4I9A - NCN C11 H14 N O9 P c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NTM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NTM 1 1
2 1WD 0.513514 0.666667
3 3GQ 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3C2O; Ligand: NTM; 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: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3C2O; Ligand: NTM; 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: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3C2O; Ligand: NTM; 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: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3C2O; Ligand: NTM; 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: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3C2O; Ligand: NTM; 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: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3C2O; Ligand: NTM; 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: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
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