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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: 30
This union binding pocket(no: 1) in the query (biounit: 4g4s.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4IYO NAK 7.66284
2 4O48 ASP 9.00901
3 4C2C ALA ALA ALA 10.6061
4 2ZL4 ALA ALA ALA ALA 10.7143
5 5LFV SIA GAL NAG 11.9565
6 6EV2 BGC 11.9816
7 1VBO MAN 12.0805
8 2VAR KDG 12.1951
9 4C2G ALA ALA ALA ALA 12.7551
10 2DBX GLU 13.6842
11 3FXU TSU 14.2857
12 3SJK LYS PRO VAL LEU ARG THR ALA 14.7368
13 1P4V GLY 15.0862
14 4PVR ASP 15.1515
15 3GP3 SEP 15.4506
16 2HBL AMP 17.3913
17 1H0A I3P 17.7215
18 3CV2 COA 19.3878
19 2Z6J FMN 19.5402
20 3W6X HZP 20.7547
21 5HP8 PYR 20.9677
22 1D8C GLV 22.2222
23 1UNQ 4IP 23.2
24 4K7O EKZ 23.2143
25 1WLJ U5P 24.3386
26 3C8F MT2 24.4898
27 1MT1 AG2 25
28 2QMC GTB 26.5957
29 4PU6 ASP 28.2443
30 1APZ ASP 35.8025
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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