Receptor
PDB id Resolution Class Description Source Keywords
6YQQ 2.5 Å NON-ENZYME: OTHER FORT-PRPP COMPLEX ESCHERICHIA COLI C-GLYCOSIDIC BOND BIOSYNTHETIC PROTEIN
Ref.: UNCOVERING THE CHEMISTRY OF C-C BOND FORMATION IN C-NUCLEOSIDE BIOSYNTHESIS: CRYSTAL STRUCTURE OF A C-GLYCOSIDE SYNTHASE/PRPP COMPLEX. CHEM.COMMUN.(CAMB.) V. 56 7617 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:401;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
CL A:402;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
PRP A:403;
 Valid;
 none;
 Kd = 4 uM
390.07 C5 H13 O14 P3 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6YQQ 2.5 Å NON-ENZYME: OTHER FORT-PRPP COMPLEX ESCHERICHIA COLI C-GLYCOSIDIC BOND BIOSYNTHETIC PROTEIN
Ref.: UNCOVERING THE CHEMISTRY OF C-C BOND FORMATION IN C-NUCLEOSIDE BIOSYNTHESIS: CRYSTAL STRUCTURE OF A C-GLYCOSIDE SYNTHASE/PRPP COMPLEX. CHEM.COMMUN.(CAMB.) V. 56 7617 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6YQQ Kd = 4 uM PRP C5 H13 O14 P3 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6YQQ Kd = 4 uM PRP C5 H13 O14 P3 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6YQQ Kd = 4 uM PRP C5 H13 O14 P3 C([C@@H]1[....
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 : 6YQQ; Ligand: PRP; 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: 6yqq.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6YQQ; Ligand: PRP; 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: 6yqq.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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