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Autoinhibited structure of human neurofibromin isoform 2 stabilized by zinc.

Analyse Autoinhibited structure of human neurofibromin isoform 2 stabilized by zinc. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7PGU
Type
protein
Length
4,846 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neurofibromin
UniProt
P21359
Ligands
PEV, ZN
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 1 distinct chain · 63% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
F, NNeurofibrominprotein242363% helix, 3% strandP21359

Ligands and binding sites

  • PEV · (1S)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate · ligand · 2 copies · chains F, N
  • ZN · Zinc ion · metal · 2 copies · chains F, N

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17500.860.8840PEV
27370.860.8846PEV
35210.750.8365empty
43610.740.8562empty
53410.710.8456empty

Interfaces

1 interface between chains.

  • F–N · 5822 Ų buried · 41 hydrogen bonds · protein-protein

Compared structures

  • 7PGU · Autoinhibited structure of human neurofibromin isoform 2 stabilized by Zinc. · the same entry in another collection · chain F against F, TM-score 1.00

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