› 6nm7

X-ray diffraction
2.43Å resolution

PD-L1 IgV domain bound to fragment

Released:
DOI: 10.2210/pdb6nm7/pdb
PDB entry 6nm7 coloured by chain, front view.
PDB entry 6nm7 coloured by chain, side view.
PDB entry 6nm7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment-based screening of programmed death ligand 1 (PD-L1).
Perry E, Mills JJ, Zhao B, Wang F, Sun Q, Christov PP, Tarr JC, Rietz TA, Olejniczak ET, Lee T, Fesik S
Bioorg Med Chem Lett 29 786-790 (2019)
PMID: 30728114

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192784 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Programmed cell death 1 ligand 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 129 amino acids
Theoretical weight: 14.81 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9NZQ7 (Residues: 19-134; Coverage: 43%)
Gene names: B7H1, CD274, PDCD1L1, PDCD1LG1, PDL1
Sequence domains: Immunoglobulin V-set domain
Structure domains: Immunoglobulins

Ligands and Environments

1 bound ligand:
Ligand 22L 1 x 22L
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P21212
Unit cell:
a: 82.911Å b: 94.921Å c: 32.155Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.202 0.269
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Application of Fragment-Based Drug Discovery to Versatile Targets.
Li Q. (2020)
4 more

6 mentions without citation

Development of the Inhibitors that Target the PD-1/PD-L1 Interaction-A Brief Look at Progress on Small Molecules, Peptides and Macrocycles.
Guzik et al. (2019)
5 more