› 4l72

X-ray diffraction
3Å resolution

Crystal structure of MERS-CoV complexed with human DPP4

Released:
DOI: 10.2210/pdb4l72/pdb
PDB entry 4l72 coloured by chain, front view.
PDB entry 4l72 coloured by chain, side view.
PDB entry 4l72 coloured by chain, top view.
Source organisms:
Primary publication:
Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4.
Wang N, Shi X, Jiang L, Zhang S, Wang D, Tong P, Guo D, Fu L, Cui Y, Liu X, Arledge KC, Chen YH, Zhang L, Wang X
Cell Res 23 986-93 (2013)
PMID: 23835475

Function and Biology Details

Reaction catalysed: 
Release of an N-terminal dipeptide, Xaa-Yaa-|-Zaa-, from a polypeptide, preferentially when Yaa is Pro, provided Zaa is neither Pro nor hydroxyproline.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151015 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (4 distinct):
Dipeptidyl peptidase 4 Chain: A
Molecule details ›
Chain: A
Length: 728 amino acids
Theoretical weight: 84.46 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P27487 (Residues: 39-766; Coverage: 95%)
Gene names: ADCP2, CD26, DPP4
Sequence domains:
Structure domains:
Spike glycoprotein Chain: B
Molecule details ›
Chain: B
Length: 204 amino acids
Theoretical weight: 22.49 KDa
Source organism: Middle East respiratory syndrome-related coronavirus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: R9UQ53 (Residues: 382-585; Coverage: 15%)
Gene name: S
Sequence domains: Betacoronavirus spike glycoprotein S1, receptor binding
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
1 bound ligand:
Ligand NAG 5 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P6122
Unit cell:
a: 110.609Å b: 110.609Å c: 527.713Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.208 0.205 0.253
Expression system: Spodoptera frugiperda

Quick links

Citations

167 review citations

Origin and evolution of pathogenic coronaviruses.
Cui et al. (2019)
166 more

67 mentions without citation

From SARS to MERS: 10 years of research on highly pathogenic human coronaviruses.
Hilgenfeld et al. (2013)
66 more