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Crystal structure of the complex between human tissue factor extracellular domain and antibody 10H10 FAB fragment

Analyse Crystal structure of the complex between human tissue factor extracellular… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4M7L
Type
protein
Length
637 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.4
Source
Homo sapiens; Mus musculus, Homo sapiens
Molecule
Tissue factor; 10H10 light chain; 10H10 heavy chain
UniProt
P13726
Pockets
6 · best druggability 0.63

Structure

x-ray diffraction · resolution 3.4 · 3 distinct chains · 5% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
TTissue factorprotein1948% helix, 51% strandP13726
L10H10 light chainprotein2205% helix, 48% strand—
H10H10 heavy chainprotein2234% helix, 43% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16500.630.7466empty
21680.500.7726empty
31050.470.8031empty
41170.400.7524empty
5750.330.7520empty

Interfaces

3 interfaces between chains.

  • L–H · 1977 Ų buried · 17 hydrogen bonds · protein-protein
  • T–H · 743 Ų buried · 11 hydrogen bonds · protein-protein
  • T–L · 494 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 1 modified (disulfide, cyclization).

Compared structures

  • 4M7L · Crystal structure of the complex between human tissue factor extracellular domain and… · the same entry in another collection · chain H against H, TM-score 1.00
  • P13726 · AlphaFold monomer V2.0 prediction for tissue factor (P13726) · a predicted model of the same protein · chain T against A, TM-score 0.98

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