› 6noj

X-ray diffraction
2.33Å resolution

PD-L1 IgV domain V76T with fragment

Released:
DOI: 10.2210/pdb6noj/pdb
Model geometry
Fit model/data
PDB entry 6noj coloured by chain, front view.
PDB entry 6noj coloured by chain, side view.
PDB entry 6noj 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: 127 amino acids
Theoretical weight: 14.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q9NZQ7 (Residues: 18-134; 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 KW7 1 x KW7
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21212
Unit cell:
a: 83.803Å b: 96.941Å c: 32.658Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.19 0.245
Expression system: Escherichia coli K-12

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Citations

6 review citations

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

3 mentions without citation

A Comprehensive Computational Insight into the PD-L1 Binding to PD-1 and Small Molecules.
Fantacuzzi et al. (2024)
2 more

PDB-REDO

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