X-ray crystal structure of human fxa in complex with 6-chloro-N-((3S)- 2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-METHANOPYRIDO[1,2- A][1,5]DIAZOCIN-3(2H,4H,8H)-YL)ETHYL)PIPERIDIN-3-YL)NAPHTHALENE-2- sulfonamide

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 34% strand (DSSP).

Ligands and binding sites

• FI1 · 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide · ligand · chains B
• NA · Sodium ion · metal · chains B
• CA · Calcium ion · metal · chains B
• GOL · Glycerol · additive · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 848 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

• 3SW2 · X-ray crystal structure of human FXA in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• P00742 · AlphaFold monomer V2.0 prediction for coagulation factor X (P00742) · a predicted model of the same protein · chain B against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P00742
• Elsewhere: RCSB PDB 3SW2 · PDBe 3SW2 · UniProt P00742