Receptor
PDB id Resolution Class Description Source Keywords
2F9W 1.9 Å EC: 2.7.1.33 STRUCTURE OF THE TYPE III COAA FROM PSEUDOMONAS AERUGINOSA PSEUDOMONAS AERUGINOSA PANTOTHENATE KINASE COAA PAN PANTOTHENATE TRANSFERASE
Ref.: PROKARYOTIC TYPE II AND TYPE III PANTOTHENATE KINAS SAME MONOMER FOLD CREATES DIMERS WITH DISTINCT CATA PROPERTIES. STRUCTURE V. 14 1251 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:4001;
B:4002;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL B:5002;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PAU A:6001;
A:6002;
Valid;
Valid;
none;
none;
submit data
219.235 C9 H17 N O5 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2F9W 1.9 Å EC: 2.7.1.33 STRUCTURE OF THE TYPE III COAA FROM PSEUDOMONAS AERUGINOSA PSEUDOMONAS AERUGINOSA PANTOTHENATE KINASE COAA PAN PANTOTHENATE TRANSFERASE
Ref.: PROKARYOTIC TYPE II AND TYPE III PANTOTHENATE KINAS SAME MONOMER FOLD CREATES DIMERS WITH DISTINCT CATA PROPERTIES. STRUCTURE V. 14 1251 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2F9W - PAU C9 H17 N O5 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 7 families.
1 2F9W - PAU C9 H17 N O5 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 6 families.
1 2F9W - PAU C9 H17 N O5 CC(C)(CO)[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAU; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 PAU 1 1
2 PNY 0.604167 0.857143
3 PAZ 0.58 0.811321
4 PCO 0.568627 0.875
5 PN4 0.557692 0.823529
6 ENV 0.517857 0.84
7 ENW 0.5 0.843137
8 8H6 0.467742 0.777778
9 0JR 0.453125 0.777778
10 OPI 0.423729 0.86
11 SH2 0.42029 0.704918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2F9W; Ligand: PAU; 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: 2f9w.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2F9W; Ligand: PAU; 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: 2f9w.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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