Receptor
PDB id Resolution Class Description Source Keywords
3C2F 2.35 Å EC: 2.4.2.19 CRYSTAL STRUCTURE OF THE QUINOLINATE PHOSPHORIBOSYL TRANSFER FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PRPP SACCHAROMYCES CEREVISIAE QPRTASE PRTASE BNA6 PRPP CYTOPLASM GLYCOSYLTRANSFERASEPYRIDINE 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
PRP A:300;
 Valid;
 none;
 Kd = 10.1 mM
390.07 C5 H13 O14 P3 C([C@...
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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 (2D)
Ligand no: 1; Ligand: PRP; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 RI2 0.695652 0.975
3 PPC 0.615385 0.930233
4 G16 0.588235 0.883721
5 A6P 0.5 0.880952
6 M6D 0.5 0.880952
7 BG6 0.5 0.880952
8 BGP 0.5 0.880952
9 HSX 0.5 0.975
10 M6P 0.5 0.880952
11 G6P 0.5 0.880952
12 AHG 0.5 0.904762
13 RP5 0.5 0.975
14 ABF 0.5 0.975
15 GRF 0.45098 0.745098
16 FDQ 0.425926 0.883721
17 RF5 0.415094 0.863636
18 50A 0.415094 0.863636
19 R1P 0.411765 0.951219
20 GLP 0.410714 0.74
21 4R1 0.410714 0.74
Similar Ligands (3D)
Ligand no: 1; Ligand: PRP; Similar ligands found: 8
No: Ligand Similarity coefficient
1 PCP 0.9849
2 1RB 0.8784
3 7RP 0.8765
4 7RA 0.8712
5 AAM 0.8705
6 P2P 0.8678
7 RMB 0.8657
8 RBZ 0.8635
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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