Receptor
PDB id Resolution Class Description Source Keywords
6RYO 1.92 Å EC: 3.4.23.36 BACTERIAL MEMBRANE ENZYME STRUCTURE BY THE IN MESO METHOD AT RESOLUTION STAPHYLOCOCCUS AUREUS IN MESO LIPID CUBIC PHASES LIPOPROTEIN SIGNAL PEPTIDASE GLOBOMYCIN HYDROLASE
Ref.: STRUCTURES OF LIPOPROTEIN SIGNAL PEPTIDASE II FROM STAPHYLOCOCCUS AUREUS COMPLEXED WITH ANTIBIOTICS GL AND MYXOVIRESCIN. NAT COMMUN V. 11 140 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:206;
A:207;
A:219;
A:208;
A:220;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
OLC A:203;
A:205;
B:101;
A:202;
A:201;
A:204;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
356.54 C21 H40 O4 CCCCC...
7PE A:215;
A:214;
B:102;
A:210;
A:213;
A:212;
A:216;
A:209;
A:218;
A:211;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
310.384 C14 H30 O7 CCOCC...
ZN A:217;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
MLE IIL SER ALO 5BV B:1;
 Valid;
 none;
 ic50 = 170.7 uM
654.826 n/a O=C1N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RYP 2.3 Å EC: 3.4.23.36 BACTERIAL MEMBRANE ENZYME STRUCTURE BY THE IN MESO METHOD AT RESOLUTION STAPHYLOCOCCUS AUREUS IN MESO LIPID CUBIC PHASES LIPOPROTEIN SIGNAL PEPTIDASE MYXOVIRESCIN HYDROLASE
Ref.: STRUCTURES OF LIPOPROTEIN SIGNAL PEPTIDASE II FROM STAPHYLOCOCCUS AUREUS COMPLEXED WITH ANTIBIOTICS GL AND MYXOVIRESCIN. NAT COMMUN V. 11 140 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6RYP ic50 = 0.16 uM KNH C35 H61 N O8 CCC[C@H]1C....
2 6RYO ic50 = 170.7 uM MLE IIL SER ALO 5BV n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6RYP ic50 = 0.16 uM KNH C35 H61 N O8 CCC[C@H]1C....
2 6RYO ic50 = 170.7 uM MLE IIL SER ALO 5BV n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6RYP ic50 = 0.16 uM KNH C35 H61 N O8 CCC[C@H]1C....
2 6RYO ic50 = 170.7 uM MLE IIL SER ALO 5BV n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MLE IIL SER ALO 5BV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MLE IIL SER ALO 5BV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: MLE IIL SER ALO 5BV; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6RYP; Ligand: KNH; 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: 6ryp.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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