Receptor
PDB id Resolution Class Description Source Keywords
3QDK 2.31 Å EC: 2.7.1.16 STRUCTURAL INSIGHT ON MECHANISM AND DIVERSE SUBSTRATE SELECT STRATEGY OF RIBULOKINASE BACILLUS HALODURANS STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE NESGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC PSI-IARABINOSE CATABOLISM ATP BINDING TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO MECHANISM AND DIVERSE SUBST SELECTION STRATEGY OF L-RIBULOKINASE. PROTEINS V. 80 261 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
QDK A:573;
Valid;
none;
submit data
150.13 C5 H10 O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QDK 2.31 Å EC: 2.7.1.16 STRUCTURAL INSIGHT ON MECHANISM AND DIVERSE SUBSTRATE SELECT STRATEGY OF RIBULOKINASE BACILLUS HALODURANS STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE NESGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC PSI-IARABINOSE CATABOLISM ATP BINDING TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO MECHANISM AND DIVERSE SUBST SELECTION STRATEGY OF L-RIBULOKINASE. PROTEINS V. 80 261 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3QDK - QDK C5 H10 O5 C([C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3QDK - QDK C5 H10 O5 C([C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3QDK - QDK C5 H10 O5 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: QDK; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 XUL 1 1
2 RBL 1 1
3 QDK 1 1
4 5FX 0.571429 0.92
5 PSJ 0.551724 0.956522
6 FUD 0.551724 0.956522
7 SOL 0.551724 0.956522
8 TAG 0.551724 0.956522
9 LPK 0.551724 0.956522
10 SDD 0.551724 0.956522
11 THE 0.481481 0.8
12 LER 0.461538 0.916667
13 5RP 0.444444 0.638889
14 5SP 0.444444 0.638889
15 HMS 0.444444 0.638889
16 GCO 0.40625 0.875
17 CS2 0.40625 0.875
18 RSH 0.40625 0.84
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QDK; Ligand: QDK; 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: 3qdk.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback