Receptor
PDB id Resolution Class Description Source Keywords
4DZ1 1.9 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF DALS, AN ATP BINDING CASSETTE TRANSPORT ALANINE FROM SALMONELLA ENTERICA SALMONELLA ENTERICA D-ALANINE BINDING PERIPLASMIC TRANSPORT PROTEIN
Ref.: CHARACTERIZATION OF DALS, AN ATP-BINDING CASSETTE TRANSPORTER FOR D-ALANINE, AND ITS ROLE IN PATHOGEN SALMONELLA ENTERICA. J.BIOL.CHEM. V. 287 15242 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DAL A:301;
Valid;
none;
submit data
89.093 C3 H7 N O2 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DZ1 1.9 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF DALS, AN ATP BINDING CASSETTE TRANSPORT ALANINE FROM SALMONELLA ENTERICA SALMONELLA ENTERICA D-ALANINE BINDING PERIPLASMIC TRANSPORT PROTEIN
Ref.: CHARACTERIZATION OF DALS, AN ATP-BINDING CASSETTE TRANSPORTER FOR D-ALANINE, AND ITS ROLE IN PATHOGEN SALMONELLA ENTERICA. J.BIOL.CHEM. V. 287 15242 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 4DZ1 - DAL C3 H7 N O2 C[C@H](C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 186 families.
1 4DZ1 - DAL C3 H7 N O2 C[C@H](C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 157 families.
1 4DZ1 - DAL C3 H7 N O2 C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DAL; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 DAL 1 1
2 ALA 1 1
3 VAL 0.611111 0.882353
4 ALO 0.578947 0.789474
5 THR 0.578947 0.789474
6 HGY 0.5625 0.666667
7 DBB 0.526316 0.75
8 ABA 0.526316 0.75
9 AKB 0.526316 0.75
10 LEU 0.5 0.681818
11 ILE 0.5 0.714286
12 NVA 0.434783 0.652174
13 VAH 0.434783 0.6
14 FLA 0.428571 0.636364
15 DCY 0.428571 0.608696
16 C2N 0.428571 0.636364
17 CYS 0.428571 0.608696
18 HL5 0.407407 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DZ1; Ligand: DAL; 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: 4dz1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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