Receptor
PDB id Resolution Class Description Source Keywords
5KCB 2.1 Å NON-ENZYME: OTHER THE STRUCTURE OF SAV2435 BOUND TO ETHIDIUM BROMIDE 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
ET A:201;
Valid;
none;
Kd = 0.99 uM
314.404 C21 H20 N3 CC[n+...
SO4 A:203;
A:204;
A:202;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
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 1610 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 1331 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 1144 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 (2D)
Ligand no: 1; Ligand: ET; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ET 1 1
2 PRM 0.641791 0.705882
3 DCU 0.6 0.660377
Similar Ligands (3D)
Ligand no: 1; Ligand: ET; Similar ligands found: 19
No: Ligand Similarity coefficient
1 3RH 0.9102
2 65Z 0.9075
3 4PX 0.8963
4 1M1 0.8932
5 L32 0.8860
6 5SB 0.8857
7 2T6 0.8800
8 6JJ 0.8761
9 9GW 0.8713
10 Q9G 0.8703
11 YGL 0.8676
12 9GT 0.8676
13 7M5 0.8673
14 5M8 0.8670
15 LZL 0.8669
16 TC8 0.8660
17 5JW 0.8638
18 M2N 0.8623
19 DAN 0.8550
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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