Receptor
PDB id Resolution Class Description Source Keywords
5KAX 2 Å NON-ENZYME: OTHER THE STRUCTURE OF CTR107 PROTEIN BOUND TO RHODAMINE 6G CHLOROBIUM TEPIDUM (STRAIN ATCC 49652 12025 / NBRC 103806 / TLS) 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
GOL A:203;
A:202;
A:204;
A:205;
A:206;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
RHQ B:201;
A:201;
Valid;
Valid;
none;
none;
Kd = 0.78 uM
443.557 C28 H31 N2 O3 CCNc1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KAX 2 Å NON-ENZYME: OTHER THE STRUCTURE OF CTR107 PROTEIN BOUND TO RHODAMINE 6G CHLOROBIUM TEPIDUM (STRAIN ATCC 49652 12025 / NBRC 103806 / TLS) 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 (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5KAX Kd = 0.78 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5KAX Kd = 0.78 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5KAX Kd = 0.78 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RHQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RHQ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KAX; 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: 5kax.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5KAX; 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: 2) in the query (biounit: 5kax.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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