SMTL ID : 6yau.1

CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A.

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.40 Å

Oligo State

monomer

Ligands

3 x CA: CALCIUM ION

CA.1: 4 residues within 4Å: Chain A: D.70, D.97, E.107, D.108 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.70, A:D.70, A:D.97, A:D.108, H2O.1 CA.2: 6 residues within 4Å: Chain A: Q.94, D.96, E.107, N.119, D.120 Ligands: OJB.4 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.96, A:E.107, A:D.120, A:D.120 CA.3: 3 residues within 4Å: Chain A: V.45, E.51, E.132 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:E.51, A:E.51, A:E.132, A:E.132, H2O.2

1 x OJB: 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide

OJB.4: 9 residues within 4Å: Chain A: R.91, Q.94, D.96, W.98, E.107, N.119, D.120, D.121 Ligands: CA.2 9 PLIP interactions: 9 interactions with chain A Hydrogen bonds: A:R.91, A:R.91, A:Q.94, A:D.96, A:E.107, A:N.119 Water bridges: A:D.121, A:R.125 Salt bridges: A:R.91

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Mishra, A. et al., Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis. Adv Sci (2020)

Release Date

2021-01-13

Peptides

Asialoglycoprotein receptor 1: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Asialoglycoprotein receptor 1