› 5mri

X-ray diffraction
2Å resolution

Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18

Released:
DOI: 10.2210/pdb5mri/pdb
PDB 5mri coloured by chain and viewed from the front.
PDB 5mri coloured by chain and viewed from the side.
PDB 5mri coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Andersen JL, Lindberg S, Langgård M, Maltas PJ, Rønn LCB, Bundgaard C, Strandbygaard D, Thirup S, Watson SP
Bioorg Med Chem Lett 27 2629-2633 (2017)
PMID: 28462834

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Sortilin Chain: A
Molecule details ›
Chain: A
Length: 696 amino acids
Theoretical weight: 77.79 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: Q99523 (Residues: 78-756; Coverage: 85%)
Gene name: SORT1
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
2 bound ligands:
Ligand NAG 1 x NAG
Ligand Q9Y 1 x Q9Y
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: C2
Unit cell:
a: 158.296Å b: 81.058Å c: 105.69Å
α: 90° β: 131.1° γ: 90°
R-values:
R R work R free
0.196 0.195 0.219
Expression system: Homo sapiens

Quick links

Citations

1 citations in other articles

Structural insights into SorCS2-Nerve Growth Factor complex formation.
Leloup et al. (2018)