Receptor
PDB id Resolution Class Description Source Keywords
3GUZ 1.67 Å EC: 6.3.2.1 STRUCTURAL AND SUBSTRATE-BINDING STUDIES OF PANTOTHENATE SYNTHENATE (PS)PROVIDE INSIGHTS INTO HOMOTROPIC INHIBITION B Y PANTOATE IN PS'S ESCHERICHIA COLI PANTOTHENATE BIOSYNTHESIS SUBSTRATE BINDING COMPETITIVE INHIBITION ROSSMANN FOLD NON-CANONICAL PANTOATE BINDING- SITE ATP-BINDING CYTOPLASM LIGASE NUCLEOTIDE-BINDING
Ref.: X-RAY CRYSTALLOGRAPHIC AND NMR STUDIES OF PANTOTHENATE SYNTHETASE PROVIDE INSIGHTS INTO THE MECHANISM OF HOMOTROPIC INHIBITION BY PANTOATE FEBS J. V. 277 697 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PAF A:177;
A:178;
B:177;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
147.149 C6 H11 O4 CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GUZ 1.67 Å EC: 6.3.2.1 STRUCTURAL AND SUBSTRATE-BINDING STUDIES OF PANTOTHENATE SYNTHENATE (PS)PROVIDE INSIGHTS INTO HOMOTROPIC INHIBITION B Y PANTOATE IN PS'S ESCHERICHIA COLI PANTOTHENATE BIOSYNTHESIS SUBSTRATE BINDING COMPETITIVE INHIBITION ROSSMANN FOLD NON-CANONICAL PANTOATE BINDING- SITE ATP-BINDING CYTOPLASM LIGASE NUCLEOTIDE-BINDING
Ref.: X-RAY CRYSTALLOGRAPHIC AND NMR STUDIES OF PANTOTHENATE SYNTHETASE PROVIDE INSIGHTS INTO THE MECHANISM OF HOMOTROPIC INHIBITION BY PANTOATE FEBS J. V. 277 697 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3GUZ - PAF C6 H11 O4 CC(C)(CO)[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3GUZ - PAF C6 H11 O4 CC(C)(CO)[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3GUZ - PAF C6 H11 O4 CC(C)(CO)[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PAF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GUZ; Ligand: PAF; 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: 3guz.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GUZ; Ligand: PAF; 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: 3guz.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3GUZ; Ligand: PAF; 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: 3guz.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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