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MolNFT v1 · #3999 · protein

Bacteriophage lambda lysozyme complexed with a chitohexasacharide

1D9U: “Bacteriophage lambda lysozyme complexed with a chitohexasacharide”. X-ray diffraction, 3 ligands (NAG, NDG, SO4), 3 pockets (best druggability 0.65). MolNFT v1 #3999 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1D9U
Type
protein
Length
308 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriophage lambda lysozyme
EC
3.2.1.17
UniProt
P03706
Ligands
NAG, NDG, SO4
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBacteriophage lambda lysozyme (EC 3.2.1.17)protein15438% helix, 8% strandP03706

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, B
  • NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · 3 copies · chains A, B
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14630.650.7736NAG
22700.540.7632NAG
3610.410.8117SO4

Interfaces

1 interface between chains.

  • A–B · 357 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 1D9U · Bacteriophage lambda lysozyme complexed with a chitohexasacharide · the same entry in another collection · chain A against A, TM-score 1.00

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