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
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
Members (1)
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@....
70% Homology Family (1)
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@....
50% Homology Family (1)
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@....
Polypharmacology
Similar Ligands
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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MPQ; Ligand: BLG; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 5mpq.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AAQ ARU 0.02904 0.40649 1.69972
2 3KJS NAP 0.02385 0.40308 2.30326
3 4OLT GCS GCS GCS GCS GCS GCS 0.005384 0.43762 2.41935
4 2GZ3 NAP 0.02929 0.41655 2.45902
5 2FZH DH1 0.03129 0.40944 2.91262
6 4EIP K2C 0.03947 0.40822 3.09654
7 4EIP FAD 0.03947 0.40822 3.09654
8 2DQA NAG NAG NAG 0.0003517 0.47195 3.22581
9 3WH1 NAG NAG NAG NAG 0.00625 0.42603 3.39806
10 5AO7 AH0 NAG 0.00007834 0.51371 4.04762
11 5AO7 NAG 0.000727 0.46554 4.04762
12 3W6C NAG NAG 0.000002457 0.59892 5.46448
13 1E6E FAD 0.02401 0.4107 5.46875
14 4LAE NAP 0.03675 0.41208 6.58683
15 4LAE 1VM 0.03675 0.41208 6.58683
16 1D0L BLG 0.0000009183 0.62194 7.14286
17 2C0U FAD NBT 0.02748 0.40869 7.28929
18 4V24 GYR 0.01689 0.40508 9.97305
19 2JDC CAO 0.01247 0.41571 10.274
20 1BB6 UMG 0.003263 0.43265 17.0543
21 1LZR NAG NAG NAG NAG 0.002192 0.43453 18.4615
22 1LSZ NDG NAG NAG NAG 0.005145 0.41275 21.7687
23 4HP0 NOJ NAG NAG NAG 0.004461 0.43616 24.8062
24 154L NAG NAG NAG 0.000003015 0.57335 38.3784
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