› 5o4y

X-ray diffraction
2.3Å resolution

Structure of human PD-L1 in complex with inhibitor

Released:
DOI: 10.2210/pdb5o4y/pdb
PDB entry 5o4y coloured by chain, front view.
PDB entry 5o4y coloured by chain, side view.
PDB entry 5o4y coloured by chain, top view.
Source organisms:
Primary publication:
Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint.
Magiera-Mularz K, Skalniak L, Zak KM, Musielak B, Rudzinska-Szostak E, Berlicki Ł, Kocik J, Grudnik P, Sala D, Zarganes-Tzitzikas T, Shaabani S, Dömling A, Dubin G, Holak TA
Angew Chem Int Ed Engl 56 13732-13735 (2017)
PMID: 28881104

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-166045 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Programmed cell death 1 ligand 1 Chains: B, C, E
Molecule details ›
Chains: B, C, E
Length: 118 amino acids
Theoretical weight: 13.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9NZQ7 (Residues: 18-132; Coverage: 42%)
Gene names: B7H1, CD274, PDCD1L1, PDCD1LG1, PDL1
Sequence domains: Immunoglobulin V-set domain
Structure domains: Immunoglobulins
PHE-MAA-ASN-PRO-HIS-LEU-SER-TRP-SER-TRP-9KK-9KK-ARG-CCS-GLY-NH2 Chains: A, D, F
Molecule details ›
Chains: A, D, F
Length: 16 amino acids
Theoretical weight: 1.89 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
2 modified residues:
Ligand MAA 3 x MAA
Ligand CCS 3 x CCS

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P21
Unit cell:
a: 50.55Å b: 80.95Å c: 54.23Å
α: 90° β: 104.49° γ: 90°
R-values:
R R work R free
0.201 0.198 0.262
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

17 review citations

The Diverse Function of PD-1/PD-L Pathway Beyond Cancer.
Qin et al. (2019)
16 more

9 mentions without citation

Immune Checkpoint PD-1/PD-L1: Is There Life Beyond Antibodies?
Konstantinidou et al. (2018)
8 more