Receptor
PDB id Resolution Class Description Source Keywords
5J8Q 1.7 Å EC: 2.8.1.7 CRYSTAL STRUCTURE OF THE CYSTEINE DESULFURASE SUFS OF BACILL SUBTILIS BACILLUS SUBTILIS (STRAIN 168) CYSTEINE DESULFURASE IRON SULFUR CLUSTER SUF-SYSTEM TRANS
Ref.: CRYSTAL STRUCTURE OF BACILLUS SUBTILIS CYSTEINE DES SUFS AND ITS DYNAMIC INTERACTION WITH FRATAXIN AND PROTEIN SUFU. PLOS ONE V. 11 58749 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA A:502;
Valid;
none;
submit data
89.093 C3 H7 N O2 C[C@@...
PLP A:501;
Invalid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5J8Q 1.7 Å EC: 2.8.1.7 CRYSTAL STRUCTURE OF THE CYSTEINE DESULFURASE SUFS OF BACILL SUBTILIS BACILLUS SUBTILIS (STRAIN 168) CYSTEINE DESULFURASE IRON SULFUR CLUSTER SUF-SYSTEM TRANS
Ref.: CRYSTAL STRUCTURE OF BACILLUS SUBTILIS CYSTEINE DES SUFS AND ITS DYNAMIC INTERACTION WITH FRATAXIN AND PROTEIN SUFU. PLOS ONE V. 11 58749 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5J8Q - ALA 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 2 families.
1 5J8Q - ALA 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 1 families.
1 5J8Q - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA 1 1
2 DAL 1 1
3 VAL 0.611111 0.882353
4 THR 0.578947 0.789474
5 HGY 0.5625 0.666667
6 ABA 0.526316 0.75
7 DBB 0.526316 0.75
8 LEU 0.5 0.681818
9 ILE 0.5 0.714286
10 VAH 0.434783 0.6
11 NVA 0.434783 0.652174
12 C2N 0.428571 0.636364
13 DCY 0.428571 0.608696
14 CYS 0.428571 0.608696
15 FLA 0.428571 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5J8Q; Ligand: ALA; 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: 5j8q.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback