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Crystal structure of a pectin methylesterase inhibitor from arabidopsis thaliana

Analyse Crystal structure of a pectin methylesterase inhibitor from arabidopsis thaliana in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1X8Z
Type
protein
Length
448 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
INVERTASE/PECTIN methylesterase inhibitor family protein
UniProt
Q9LNF2
Pockets
2 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 77% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AINVERTASE/PECTIN methylesterase inhibitor family proteinprotein15181% helix, 0% strandQ9LNF2
BINVERTASE/PECTIN methylesterase inhibitor family proteinprotein14776% helix, 0% strandQ9LNF2
CINVERTASE/PECTIN methylesterase inhibitor family proteinprotein15075% helix, 0% strandQ9LNF2

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14330.660.7946empty
2990.340.7418empty

Interfaces

3 interfaces between chains.

  • B–C · 1379 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 528 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 324 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1X8Z · Crystal structure of a pectin methylesterase inhibitor from Arabidopsis thaliana · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9LNF2 · AlphaFold monomer V2.0 prediction for pectinesterase inhibitor 1 (Q9LNF2) · a predicted model of the same protein · chain B against A, TM-score 0.83

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