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Crystal structure of the catalytic domain of coagulation factor XI in complex with kunitz protease inhibitor domain of protease nexin II

Analyse Crystal structure of the catalytic domain of coagulation factor XI in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1ZJD
Type
protein
Length
294 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Catalytic domain of coagulation factor XI; Kunitz protease inhibitory domain of protease…
EC
3.4.21.27
UniProt
P03951, P05067
Pockets
2 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACatalytic domain of coagulation factor XI (EC 3.4.21.27)protein23712% helix, 34% strandP03951
BKunitz protease inhibitory domain of protease nexin IIprotein5714% helix, 28% strandP05067

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1890.440.8018empty
2940.360.7516empty

Interfaces

1 interface between chains.

  • A–B · 829 Ų buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 1ZJD · Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Kunitz… · 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 A against A, TM-score 0.98
  • P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain B against A, TM-score 0.93

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