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MolNFT v1 · #27439 · protein

Crystal structure of secreted inactive form of P1 phage endolysin lyz

1XJU · Lysozyme: “Crystal structure of secreted inactive form of P1 phage endolysin lyz”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.52). MolNFT v1 #27439 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1XJU
Type
protein
Length
311 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysozyme
EC
3.2.1.17
UniProt
Q37875
Ligands
SO4
Pockets
6 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysozyme (EC 3.2.1.17)protein15660% helix, 8% strandQ37875
BLysozyme (EC 3.2.1.17)protein15561% helix, 8% strandQ37875

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 8 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11310.520.8020empty
21950.460.7435empty
31050.450.7922empty
41010.370.7519empty
5790.360.7617empty

Interfaces

1 interface between chains.

  • A–B · 473 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1XJU · Crystal structure of secreted inactive form of P1 phage endolysin Lyz · the same entry in another collection · chain A against A, TM-score 1.00

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