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 257 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 222 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 185 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YVE; Ligand: MBT; Similar sites found: 18
This union binding pocket(no: 2) in the query (biounit: 2yve.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4URG C2E 0.01047 0.41345 1.62162
2 3C3D FO1 0.02163 0.40087 1.62162
3 1SGJ OAA 0.002347 0.43998 2.16216
4 4MRP GSH 0.02201 0.41882 2.7027
5 5ICK FEZ 0.00223 0.40776 2.7027
6 1NF8 BOG 0.01027 0.42335 3.78378
7 4TWP AXI 0.03589 0.41653 3.78378
8 2HK9 SKM 0.01652 0.40543 3.78378
9 3O01 DXC 0.008909 0.43729 4.32432
10 5CAD PCA 0.00469 0.43747 4.86486
11 1XX4 BAM 0.01482 0.41842 4.86486
12 2WR1 NAG 0.002829 0.40394 5.40541
13 1J78 OLA 0.01054 0.40048 5.40541
14 5UQD AKG 0.01917 0.40177 7.56757
15 2FGQ MLT 0.00066 0.4811 8.64865
16 5ECP MET 0.02984 0.40447 10.2703
17 5ECP JAA 0.02984 0.40447 10.2703
18 3O03 GCO 0.00824 0.42958 16.7568
Feedback