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Crystal structure of a putative redox protein (LSEI_0423) from lactobacillus casei atcc 334 at 1.50 a resolution

Analyse Crystal structure of a putative redox protein (LSEI_0423) from lactobacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QL8
Type
protein
Length
282 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative redox protein
UniProt
Q03BZ3
Ligands
BEZ
Pockets
2 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative redox proteinprotein14133% helix, 32% strandQ03BZ3
BPutative redox proteinprotein14135% helix, 32% strandQ03BZ3

Ligands and binding sites

  • BEZ · Benzoic acid · ligand · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 9 copies · chains A, 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11970.630.8328BEZ, EDO
21810.620.8323EDO, BEZ

Interfaces

1 interface between chains.

  • A–B · 3321 Ų buried · 51 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

  • 2QL8 · Crystal structure of a putative redox protein (lsei_0423) from lactobacillus casei atcc… · the same entry in another collection · chain A against A, TM-score 1.00

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