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Crystal structure of a leucine-rich repeat protein (EUBVEN_01088) from eubacterium ventriosum atcc 27560 at 2.50 a resolution

Analyse Crystal structure of a leucine-rich repeat protein (EUBVEN_01088) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4H09
Type
protein
Length
1,869 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical leucine rich repeat protein
UniProt
A5Z5V6
Pockets
11 · best druggability 0.76

Structure

x-ray diffraction · 5 distinct chains · 2% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical leucine rich repeat proteinprotein3742% helix, 28% strandA5Z5V6
BHypothetical leucine rich repeat proteinprotein3722% helix, 27% strandA5Z5V6
CHypothetical leucine rich repeat proteinprotein3732% helix, 28% strandA5Z5V6
DHypothetical leucine rich repeat proteinprotein3772% helix, 27% strandA5Z5V6
EHypothetical leucine rich repeat proteinprotein3732% helix, 28% strandA5Z5V6

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 38 copies · chains A, B, E, C, D
  • PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, E, D

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

Pockets

11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111280.760.79114PEG, EDO
22960.590.7844EDO
33120.580.7741EDO
41930.550.7924EDO
53010.490.7336empty

Interfaces

7 interfaces between chains.

  • A–B · 888 Ų buried · 13 hydrogen bonds · protein-protein
  • A–E · 419 Ų buried · 7 hydrogen bonds · protein-protein
  • D–E · 215 Ų buried · 2 hydrogen bonds · protein-protein
  • B–D · 156 Ų buried · 0 hydrogen bonds · protein-protein
  • C–E · 151 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 30 modified (engineered).

Compared structures

  • 4H09 · Crystal structure of a leucine-rich repeat protein (EUBVEN_01088) from Eubacterium… · the same entry in another collection · chain A against A, TM-score 1.00

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