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Crystal structure of the AVGLUR1 ligand binding domain complex with methionine at 1.6 ångström resolution

Analyse Crystal structure of the AVGLUR1 ligand binding domain complex with methionine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4IO6
Type
protein
Length
486 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
AVGLUR1 ligand binding domain
UniProt
E9P5T5
Ligands
MET, CL
Pockets
4 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAVGLUR1 ligand binding domainprotein24335% helix, 27% strandE9P5T5

Ligands and binding sites

  • MET · Methionine · ligand · 2 copies · chains A, B
  • CL · Chloride ion · ion · 7 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12680.760.8946CL
25940.740.8188empty
31670.560.8127empty
41600.560.8125empty

Interfaces

1 interface between chains.

  • A–B · 1231 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 4IO6 · Crystal Structure of the AvGluR1 ligand binding domain complex with methionine at 1.6… · the same entry in another collection · chain A against A, TM-score 1.00

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