Receptor
PDB id Resolution Class Description Source Keywords
5MPQ 1.78 Å EC: 4.2.2.- BULGECIN A: THE KEY TO A BROAD-SPECTRUM INHIBITOR THAT TARGE TRANSGLYCOSYLASES NEISSERIA MENINGITIDIS BULGECIN A LTGA LYTIC TRANSGLYCOSYLASE PEPTIDOGLYCAN LYA
Ref.: BULGECIN A: THE KEY TO A BROAD-SPECTRUM INHIBITOR T TARGETS LYTIC TRANSGLYCOSYLASES. ANTIBIOTICS V. 6 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BLG A:601;
Valid;
none;
submit data
552.551 C16 H30 N3 O14 S2 CC(=O...
MG A:602;
A:603;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
NHE A:604;
Invalid;
none;
submit data
207.29 C8 H17 N O3 S C1CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O2N 1.51 Å EC: 4.2.2.- LYTIC TRANSGLYCOSYLASE IN ACTION NEISSERIA MENINGITIDIS LYTIC TRANSGLYCOSYLASES ACID/BASE CATALYSIS PEPTIDOGLYCANBACTERIA HYDROLASE
Ref.: A STEP-BY-STEPIN CRYSTALLOGUIDE TO BOND CLEAVAGE AN 1,6-ANHYDRO-SUGAR PRODUCT SYNTHESIS BY A PEPTIDOGLYCAN-DEGRADING LYTIC TRANSGLYCOSYLASE. J. BIOL. CHEM. V. 293 6000 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5MPQ - BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
2 5O2N - FLC C6 H5 O7 C(C(=O)[O-....
3 5O1J - Z4S NAG NAG n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5MPQ - BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
2 5O2N - FLC C6 H5 O7 C(C(=O)[O-....
3 5O1J - Z4S NAG NAG n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5MPQ - BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
2 5O2N - FLC C6 H5 O7 C(C(=O)[O-....
3 5O1J - Z4S NAG NAG n/a n/a
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 : 5O2N; Ligand: NDG NAG NAG NAG; 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: 5o2n.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5O2N; Ligand: NAG; 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: 5o2n.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5O2N; Ligand: FLC; 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: 5o2n.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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