Receptor
PDB id Resolution Class Description Source Keywords
2ZOZ 1.95 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE ETHIDIUM-BOUND FORM OF THE MULTI-DR TRANSCRIPTIONAL REPRESSOR CGMR CORYNEBACTERIUM GLUTAMICUM HELIX TURN HELIX DNA-BINDING TRANSCRIPTION TRANSCRIPTION REGULATION
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
ET B:184;
 Valid;
 none;
 submit data
314.404 C21 H20 N3 CC[n+...
GOL A:185;
A:186;
A:187;
A:188;
B:187;
B:188;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:184;
B:185;
B:186;
 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
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 308 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 266 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 220 families.
1 2YVE - MBT C16 H18 N3 S CN(C)c1ccc....
2 2ZOZ - ET C21 H20 N3 CC[n+]1c2c....
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 : 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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