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Structure of the RBP from lactococcal phage 1358 in complex with 2 GlcNAc molecules

Analyse Structure of the RBP from lactococcal phage 1358 in complex with 2 GlcNAc… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4L92
Type
protein
Length
781 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.1
Source
Lactococcus phage 1358
Molecule
Receptor Binding Protein
UniProt
D3W0F1
Ligands
NAG, NDG, ZN
Pockets
6 · best druggability 0.59

Structure

x-ray diffraction · resolution 2.1 · 2 distinct chains · 9% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReceptor Binding Proteinprotein3909% helix, 42% strandD3W0F1
BReceptor Binding Proteinprotein3919% helix, 41% strandD3W0F1

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
  • NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
  • ZN · Zinc ion · metal · 6 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15160.590.7440empty
22560.530.7628empty
32300.530.7727empty
41860.430.7323empty
5530.280.7415empty

Interfaces

1 interface between chains.

  • A–B · 232 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 4L92 · Structure of the rbp from lactococcal phage 1358 in complex with 2 glcnac molecules · the same entry in another collection · chain A against A, TM-score 1.00

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