Receptor
PDB id Resolution Class Description Source Keywords
6CFC 2.04 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF SOLUBLE LYTIC TRANSGLYCOSYLASE CJ0843 O CAMPYLOBACTER JEJUNI IN COMPLEX WITH BULGECIN A CAMPYLOBACTER JEJUNI HYDROLASE
Ref.: STRUCTURAL STUDIES AND MOLECULAR DYNAMICS SIMULATIO SUGGEST A PROCESSIVE MECHANISM OF EXOLYTIC LYTIC TRANSGLYCOSYLASE FROM CAMPYLOBACTER JEJUNI. PLOS ONE V. 13 97136 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:610;
A:607;
A:602;
A:605;
A:606;
A:609;
A:608;
A:604;
A:603;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
BLG A:601;
 Valid;
 none;
 Kd = 210 uM
552.551 C16 H30 N3 O14 S2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CFC 2.04 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF SOLUBLE LYTIC TRANSGLYCOSYLASE CJ0843 O CAMPYLOBACTER JEJUNI IN COMPLEX WITH BULGECIN A CAMPYLOBACTER JEJUNI HYDROLASE
Ref.: STRUCTURAL STUDIES AND MOLECULAR DYNAMICS SIMULATIO SUGGEST A PROCESSIVE MECHANISM OF EXOLYTIC LYTIC TRANSGLYCOSYLASE FROM CAMPYLOBACTER JEJUNI. PLOS ONE V. 13 97136 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 6CFC Kd = 210 uM BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 6CFC Kd = 210 uM BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 6CFC Kd = 210 uM BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BLG; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BLG 1 1
2 BUL 0.618557 0.973684
3 ASG 0.425287 0.763158
Similar Ligands (3D)
Ligand no: 1; Ligand: BLG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6CFC; Ligand: BLG; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6cfc.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4CFP AMV NAG AMU NAG 14.6628
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