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MolNFT v1 · #27081 · protein

Crystal structure of mutant form B of a pectin methylesterase inhibitor from arabidopsis

1X90 · INVERTASE/PECTIN methylesterase inhibitor family protein: “Crystal structure of mutant form B of a pectin methylesterase inhibitor from arabidopsis”. X-ray diffraction, 2 pockets (best druggability 0.42). MolNFT v1 #27081 on…

PDB
1X90
Type
protein
Length
294 residues
Chains
2
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 0.42

Structure

x-ray diffraction · 1 distinct chain · 83% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BINVERTASE/PECTIN methylesterase inhibitor family proteinprotein14783% helix, 0% strandQ9LNF2

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11170.420.7717empty
21070.420.7717empty

Interfaces

1 interface between chains.

  • A–B · 649 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1X90 · Crystal structure of mutant form B of a pectin methylesterase inhibitor from Arabidopsis · 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 A against A, TM-score 0.82

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