Receptor
PDB id Resolution Class Description Source Keywords
5ZA2 1.5 Å EC: 3.5.2.6 FOX-4 BETA-LACTAMASE COMPLEXED WITH AVIBACTAM ESCHERICHIA COLI BETA-LACTAMASE DRUG RESISTANCE HYDROLASE
Ref.: PROBING THE MECHANISM OF INACTIVATION OF THE FOX-4 CEPHAMYCINASE BY AVIBACTAM ANTIMICROB. AGENTS V. 62 2018 CHEMOTHER.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:402;
A:403;
A:404;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
NXL B:401;
A:401;
 Valid;
Invalid;
 none;
none;
 Kd = 1700 nM
267.26 C7 H13 N3 O6 S C1C[C...
EPE A:405;
 Invalid;
 none;
 submit data
238.305 C8 H18 N2 O4 S C1CN(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ZA2 1.5 Å EC: 3.5.2.6 FOX-4 BETA-LACTAMASE COMPLEXED WITH AVIBACTAM ESCHERICHIA COLI BETA-LACTAMASE DRUG RESISTANCE HYDROLASE
Ref.: PROBING THE MECHANISM OF INACTIVATION OF THE FOX-4 CEPHAMYCINASE BY AVIBACTAM ANTIMICROB. AGENTS V. 62 2018 CHEMOTHER.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 5ZA2 Kd = 1700 nM NXL C7 H13 N3 O6 S C1C[C@H](N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 5ZA2 Kd = 1700 nM NXL C7 H13 N3 O6 S C1C[C@H](N....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 5ZA2 Kd = 1700 nM NXL C7 H13 N3 O6 S C1C[C@H](N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NXL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NXL 1 1
2 MK7 0.578125 0.887324
3 C8V 0.513889 0.863014
Similar Ligands (3D)
Ligand no: 1; Ligand: NXL; Similar ligands found: 3
No: Ligand Similarity coefficient
1 MPP 0.8690
2 GLP 0.8615
3 16G 0.8568
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ZA2; Ligand: NXL; 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: 5za2.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5ZA2; Ligand: NXL; 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: 5za2.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback