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Crystal structure of the ectodomain of human transferrin receptor

Analyse Crystal structure of the ectodomain of human transferrin receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1CX8
Type
protein
Length
5,112 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transferrin receptor protein
UniProt
P02786
Ligands
NAG, SM
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, HTransferrin receptor proteinprotein63936% helix, 15% strandP02786

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 24 copies · chains A, B, C, D, E, F, G, H
  • SM · Samarium (III) ion · metal · 24 copies · chains A, B, C, D, E, F, G, H

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
110750.850.86112empty
27690.840.8788SM
39830.840.8585empty
46040.830.8861SM
56900.820.8675SM

Interfaces

7 interfaces between chains.

  • A–B · 3032 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 3012 Ų buried · 13 hydrogen bonds · protein-protein
  • G–H · 2983 Ų buried · 14 hydrogen bonds · protein-protein
  • E–F · 2975 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 2851 Ų buried · 37 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 glycan, 16 disulfide (N-glycosylation, disulfide).

Compared structures

  • 1CX8 · Crystal structure of the ectodomain of human transferrin receptor · the same entry in another collection · chain H against H, TM-score 1.00
  • P02786 · AlphaFold monomer V2.0 prediction for transferrin receptor protein 1 (P02786) · a predicted model of the same protein · chain A against A, TM-score 0.98

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