Receptor
PDB id Resolution Class Description Source Keywords
2E1A 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FFRP-DM1 PYROCOCCUS HORIKOSHII TRANSCRIPTIONAL REGULATORY PROTEIN ARCHAEA TRANSCRIPTION
Ref.: A STRUCTURAL CODE FOR DISCRIMINATING BETWEEN TRANSC SIGNALS REVEALED BY THE FEAST/FAMINE REGULATORY PRO IN COMPLEX WITH LIGANDS STRUCTURE V. 15 1325 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MSE B:401;
D:301;
Valid;
Valid;
none;
none;
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196.106 C5 H11 N O2 Se C[Se]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2E1A 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FFRP-DM1 PYROCOCCUS HORIKOSHII TRANSCRIPTIONAL REGULATORY PROTEIN ARCHAEA TRANSCRIPTION
Ref.: A STRUCTURAL CODE FOR DISCRIMINATING BETWEEN TRANSC SIGNALS REVEALED BY THE FEAST/FAMINE REGULATORY PRO IN COMPLEX WITH LIGANDS STRUCTURE V. 15 1325 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2E1A - MSE C5 H11 N O2 Se C[Se]CC[C@....
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 2E1A - MSE C5 H11 N O2 Se C[Se]CC[C@....
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 2E1A - MSE C5 H11 N O2 Se C[Se]CC[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MSE; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 MSE 1 1
2 DAB 0.517241 0.617647
3 NVA 0.5 0.733333
4 HSE 0.466667 0.6
5 DBB 0.464286 0.633333
6 ABA 0.464286 0.633333
7 ORN 0.454545 0.636364
8 HCS 0.451613 0.65625
9 ONL 0.441176 0.69697
10 NLE 0.441176 0.741935
11 MED 0.428571 0.9
12 MET 0.428571 0.9
13 DLY 0.428571 0.617647
14 GLU 0.424242 0.606061
15 DGL 0.424242 0.606061
16 GGL 0.424242 0.606061
17 M3L 0.421053 0.613636
18 MHO 0.416667 0.658537
19 SME 0.416667 0.658537
20 LEU 0.40625 0.645161
21 C2N 0.4 0.612903
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2E1A; Ligand: MSE; 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: 2e1a.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2E1A; Ligand: MSE; 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: 2e1a.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2E1A; Ligand: MSE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2e1a.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2E1A; Ligand: MSE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2e1a.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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