Receptor
PDB id Resolution Class Description Source Keywords
6PKA 2.25 Å EC: 3.4.21.92 STRUCTURE OF CLPP FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH UREADEPSIPEPTIDE STAPHYLOCOCCUS AUREUS (STRAIN NCTC 832ORGANISM_TAXID: 93061 CLPP ADEP ANTIBIOTIC HYDROLASE-ANTIBIOTIC COMPLEX
Ref.: UREADEPSIPEPTIDES AS CLPP ACTIVATORS. ACS INFECT DIS. V. 5 1915 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OO1 WFP SER PRO YCP ALA MP8 H:1;
Z:1;
B:1;
R:1;
X:1;
J:1;
V:1;
O:1;
U:1;
Q:1;
P:1;
C:1;
A:1;
Y:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 Kd = 1.19 uM
793.869 n/a Fc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6PKA 2.25 Å EC: 3.4.21.92 STRUCTURE OF CLPP FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH UREADEPSIPEPTIDE STAPHYLOCOCCUS AUREUS (STRAIN NCTC 832ORGANISM_TAXID: 93061 CLPP ADEP ANTIBIOTIC HYDROLASE-ANTIBIOTIC COMPLEX
Ref.: UREADEPSIPEPTIDES AS CLPP ACTIVATORS. ACS INFECT DIS. V. 5 1915 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 6TTZ - NWT C39 H52 F2 N6 O8 CCCC/C=C/C....
2 6PKA Kd = 1.19 uM OO1 WFP SER PRO YCP ALA MP8 n/a n/a
3 6PMD - SHV WFP SER PRO YCP ALA MP8 n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3MT6 - OTT PHE SER PRO MAA ALA MP8 n/a n/a
2 3KTI - OTT PHE SER PRO MAA ALA MP8 n/a n/a
3 5DKP - OTT PHE SER PRO MAA ALA MP8 n/a n/a
4 2ZL4 - ALA ALA ALA ALA n/a n/a
5 2ZL2 - ASN VAL LEU GLY PHE THR GLN n/a n/a
6 6TTZ - NWT C39 H52 F2 N6 O8 CCCC/C=C/C....
7 6PKA Kd = 1.19 uM OO1 WFP SER PRO YCP ALA MP8 n/a n/a
8 6PMD - SHV WFP SER PRO YCP ALA MP8 n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3MT6 - OTT PHE SER PRO MAA ALA MP8 n/a n/a
2 3KTI - OTT PHE SER PRO MAA ALA MP8 n/a n/a
3 5DKP - OTT PHE SER PRO MAA ALA MP8 n/a n/a
4 2ZL4 - ALA ALA ALA ALA n/a n/a
5 2ZL2 - ASN VAL LEU GLY PHE THR GLN n/a n/a
6 6TTZ - NWT C39 H52 F2 N6 O8 CCCC/C=C/C....
7 6PKA Kd = 1.19 uM OO1 WFP SER PRO YCP ALA MP8 n/a n/a
8 6PMD - SHV WFP SER PRO YCP ALA MP8 n/a n/a
9 6DL7 - ONC C24 H24 N4 O Cc1ccccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OO1 WFP SER PRO YCP ALA MP8; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OO1 WFP SER PRO YCP ALA MP8 1 1
2 SHV WFP SER PRO YCP ALA MP8 0.746377 0.878378
3 NWT 0.746377 0.878378
4 OTT PHE SER PRO MAA ALA MP8 0.490798 0.776316
Similar Ligands (3D)
Ligand no: 1; Ligand: OO1 WFP SER PRO YCP ALA MP8; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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