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Fxi apple 4 domain loop-out conformation

Analyse Fxi apple 4 domain loop-out conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2J8L
Type
protein
Length
180 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Coagulation factor XI
EC
3.4.21.27
UniProt
P03951
Pockets
2 · best druggability 0.58

Structure

solution nmr · 1 distinct chain · 14% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCoagulation factor XI (EC 3.4.21.27)protein9014% helix, 32% strandP03951

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12600.580.7837empty
2550.330.7715empty

Interfaces

1 interface between chains.

  • A–B · 636 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 2J8L · FXI Apple 4 domain loop-out conformation · the same entry in another collection · chain A against A, TM-score 1.00
  • P03951 · AlphaFold monomer V2.0 prediction for coagulation factor XI (P03951) · a predicted model of the same protein · chain B against A, TM-score 0.64

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