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Crystal structure of escherichia COLI plig in complex with atlantic salmon G-type lysozyme

Analyse Crystal structure of escherichia COLI plig in complex with atlantic salmon… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4G9S
Type
protein
Length
298 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Goose-type lysozyme; Inhibitor of G-type lysozyme
UniProt
A6PZ97, P76002
Ligands
CL
Pockets
2 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGoose-type lysozymeprotein18757% helix, 4% strandA6PZ97
BInhibitor of G-type lysozymeprotein1115% helix, 47% strandP76002

Ligands and binding sites

  • CL · Chloride ion · ion · chains A, B
  • FLC · Citrate anion · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12640.690.8545CL
21490.460.7621empty

Interfaces

1 interface between chains.

  • A–B · 1252 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 4G9S · Crystal structure of Escherichia coli PliG in complex with Atlantic salmon g-type lysozyme · the same entry in another collection · chain A against A, TM-score 1.00
  • P76002 · AlphaFold monomer V2.0 prediction for inhibitor of G-type lysozyme (P76002) · a predicted model of the same protein · chain B against A, TM-score 0.98

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