Receptor
PDB id Resolution Class Description Source Keywords
5KAW 1.86 Å NON-ENZYME: OTHER THE STRUCTURE OF SAV2435 BOUND TO TETRAPHENYLPHOSPHONIUM AND 6G STAPHYLOCOCCUS AUREUS (STRAIN N315) GYRI-LIKE DOMATIN MULTI-DRUG RECOGNITION UNKNOWN FUNCTION
Ref.: SOLUTION BINDING AND STRUCTURAL ANALYSES REVEAL POT MULTIDRUG RESISTANCE FUNCTIONS FOR SAV2435 AND CTR1 OTHER GYRI-LIKE PROTEINS. BIOCHEMISTRY V. 55 4850 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RHQ A:201;
Valid;
none;
submit data
443.557 C28 H31 N2 O3 CCNc1...
P4P A:202;
Valid;
none;
submit data
339.389 C24 H20 P c1ccc...
GOL A:203;
A:204;
A:205;
A:206;
A:207;
A:208;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KAU 1.95 Å NON-ENZYME: OTHER THE STRUCTURE OF SAV2435 BOUND TO RHODAMINE 6G STAPHYLOCOCCUS AUREUS (STRAIN N315) GYRI-LIKE DOMATIN MULTI-DRUG RECOGNITION UNKNOWN FUNCTION
Ref.: SOLUTION BINDING AND STRUCTURAL ANALYSES REVEAL POT MULTIDRUG RESISTANCE FUNCTIONS FOR SAV2435 AND CTR1 OTHER GYRI-LIKE PROTEINS. BIOCHEMISTRY V. 55 4850 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 5KAT Kd = 78.7 uM P4P C24 H20 P c1ccc(cc1)....
2 5KCB Kd = 0.99 uM ET C21 H20 N3 CC[n+]1c2c....
3 5KAU Kd = 0.3 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
4 5KAW - P4P C24 H20 P c1ccc(cc1)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 5KAT Kd = 78.7 uM P4P C24 H20 P c1ccc(cc1)....
2 5KCB Kd = 0.99 uM ET C21 H20 N3 CC[n+]1c2c....
3 5KAU Kd = 0.3 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
4 5KAW - P4P C24 H20 P c1ccc(cc1)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 5KAT Kd = 78.7 uM P4P C24 H20 P c1ccc(cc1)....
2 5KCB Kd = 0.99 uM ET C21 H20 N3 CC[n+]1c2c....
3 5KAU Kd = 0.3 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
4 5KAW - P4P C24 H20 P c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RHQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RHQ 1 1
Ligand no: 2; Ligand: P4P; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 P4P 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KAU; Ligand: RHQ; 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: 5kau.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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