Receptor
PDB id Resolution Class Description Source Keywords
2YVE 1.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE METHYLENE BLUE-BOUND FORM OF THE MU BINDING TRANSCRIPTIONAL REPRESSOR CGMR CORYNEBACTERIUM GLUTAMICUM TRANSCRIPTIONAL REGULATOR HELIX-TURN-HELIX TETR-FAMILY TRANSCRIPTION
Ref.: CRYSTAL STRUCTURES OF THE MULTIDRUG BINDING REPRESS CORYNEBACTERIUMGLUTAMICUM CGMR IN COMPLEX WITH INDU WITH AN OPERATOR J.MOL.BIOL. V. 403 174 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:3001;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:2003;
A:2004;
A:2005;
B:2001;
B:2002;
B:2006;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MBT A:1001;
B:1002;
Valid;
Valid;
none;
none;
submit data
284.399 C16 H18 N3 S CN(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YVE 1.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE METHYLENE BLUE-BOUND FORM OF THE MU BINDING TRANSCRIPTIONAL REPRESSOR CGMR CORYNEBACTERIUM GLUTAMICUM TRANSCRIPTIONAL REGULATOR HELIX-TURN-HELIX TETR-FAMILY TRANSCRIPTION
Ref.: CRYSTAL STRUCTURES OF THE MULTIDRUG BINDING REPRESS CORYNEBACTERIUMGLUTAMICUM CGMR IN COMPLEX WITH INDU WITH AN OPERATOR J.MOL.BIOL. V. 403 174 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 2YVE - MBT C16 H18 N3 S CN(C)c1ccc....
2 2ZOZ - ET C21 H20 N3 CC[n+]1c2c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2YVE - MBT C16 H18 N3 S CN(C)c1ccc....
2 2ZOZ - ET C21 H20 N3 CC[n+]1c2c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2YVE - MBT C16 H18 N3 S CN(C)c1ccc....
2 2ZOZ - ET C21 H20 N3 CC[n+]1c2c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MBT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MBT 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YVE; Ligand: MBT; 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: 2yve.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YVE; Ligand: MBT; 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: 2yve.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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