Receptor
PDB id Resolution Class Description Source Keywords
2VPN 1.55 Å NON-ENZYME: BINDING HIGH-RESOLUTION STRUCTURE OF THE PERIPLASMIC ECTOINE- BINDING PROTEIN FROM TEAABC TRAP-TRANSPORTER OF HALOMONAS E LONGATA HALOMONAS ELONGATA ECTOINE HYDROXYECTOINE TRAP-TRANSPORTER PERIPLASMIC BINDING PROTEIN TRANSPORT
Ref.: 1.55 A STRUCTURE OF THE ECTOINE BINDING PROTEIN TEAA OF THE OSMOREGULATED TRAP-TRANSPORTER TEAABC FROM HALOMONAS ELONGATA. BIOCHEMISTRY V. 47 9475 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4CS A:1311;
B:1311;
Valid;
Valid;
none;
none;
Kd = 0.19 uM
142.156 C6 H10 N2 O2 CC1=N...
MG A:1312;
A:1313;
A:1314;
A:1315;
B:1312;
B:1313;
B:1314;
B:1315;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VPN 1.55 Å NON-ENZYME: BINDING HIGH-RESOLUTION STRUCTURE OF THE PERIPLASMIC ECTOINE- BINDING PROTEIN FROM TEAABC TRAP-TRANSPORTER OF HALOMONAS E LONGATA HALOMONAS ELONGATA ECTOINE HYDROXYECTOINE TRAP-TRANSPORTER PERIPLASMIC BINDING PROTEIN TRANSPORT
Ref.: 1.55 A STRUCTURE OF THE ECTOINE BINDING PROTEIN TEAA OF THE OSMOREGULATED TRAP-TRANSPORTER TEAABC FROM HALOMONAS ELONGATA. BIOCHEMISTRY V. 47 9475 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2VPO Kd = 3.8 uM 6CS C6 H10 N2 O3 CC1=N[C@@H....
2 2VPN Kd = 0.19 uM 4CS C6 H10 N2 O2 CC1=N[C@@H....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2VPO Kd = 3.8 uM 6CS C6 H10 N2 O3 CC1=N[C@@H....
2 2VPN Kd = 0.19 uM 4CS C6 H10 N2 O2 CC1=N[C@@H....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2VPO Kd = 3.8 uM 6CS C6 H10 N2 O3 CC1=N[C@@H....
2 2VPN Kd = 0.19 uM 4CS C6 H10 N2 O2 CC1=N[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4CS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4CS 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VPN; Ligand: 4CS; 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: 2vpn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2VPN; Ligand: 4CS; 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: 2vpn.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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