Receptor
PDB id Resolution Class Description Source Keywords
4G4S 2.49 Å EC: 3.4.25.1 STRUCTURE OF PROTEASOME-PBA1-PBA2 COMPLEX SACCHAROMYCES CEREVISIAE ALPHA BETA NTN-HYDROLASE PEPTIDE BINDING HYDROLASE-CHAPERCOMPLEX
Ref.: STRUCTURE OF A PROTEASOME PBA1-PBA2 COMPLEX: IMPLIC FOR PROTEASOME ASSEMBLY, ACTIVATION, AND BIOLOGICAL FUNCTION. J.BIOL.CHEM. V. 287 37371 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LDZ L:301;
Valid;
none;
submit data
475.621 C26 H41 N3 O5 CC(C)...
MG A:301;
H:201;
I:301;
J:301;
J:302;
L:302;
M:301;
M:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4G4S 2.49 Å EC: 3.4.25.1 STRUCTURE OF PROTEASOME-PBA1-PBA2 COMPLEX SACCHAROMYCES CEREVISIAE ALPHA BETA NTN-HYDROLASE PEPTIDE BINDING HYDROLASE-CHAPERCOMPLEX
Ref.: STRUCTURE OF A PROTEASOME PBA1-PBA2 COMPLEX: IMPLIC FOR PROTEASOME ASSEMBLY, ACTIVATION, AND BIOLOGICAL FUNCTION. J.BIOL.CHEM. V. 287 37371 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4G4S - LDZ C26 H41 N3 O5 CC(C)C[C@@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4G4S - LDZ C26 H41 N3 O5 CC(C)C[C@@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4G4S - LDZ C26 H41 N3 O5 CC(C)C[C@@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LDZ; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 LDZ 1 1
2 SBA 0.556962 0.826087
3 AZ0 0.505376 0.666667
4 LYS LEU LEU PHE 0.493976 0.695652
5 PHQ LEU VAL ARG TYR 0.490385 0.655172
6 PHQ DAL 0.463768 0.717949
7 PHQ ALA 0.463768 0.717949
8 LEU SER PRO ASP SER PHE LEU ASN ASP 0.45679 0.755556
9 PHQ DAS 0.444444 0.707317
10 NX6 0.444444 0.738095
11 BBL 0.442857 0.769231
12 186 0.44186 0.813953
13 MP2 0.435897 0.73913
14 PHQ GLU 0.426667 0.707317
15 PHQ DGL 0.426667 0.707317
16 79E 0.420455 0.690909
17 PHQ THR 0.418919 0.714286
18 PHQ DTH 0.418919 0.714286
19 79F 0.41573 0.666667
20 8L2 0.406593 0.666667
21 FVF 0.402174 0.698113
22 7K0 0.402174 0.655172
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4G4S; Ligand: LDZ; 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: 4g4s.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4G4S; Ligand: LDZ; 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: 4g4s.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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