› 6vqn

X-ray diffraction
2.49Å resolution

Co-crystal structure of human PD-L1 complexed with Compound A

Released:
DOI: 10.2210/pdb6vqn/pdb
PDB entry 6vqn coloured by chain, front view.
PDB entry 6vqn coloured by chain, side view.
PDB entry 6vqn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1.
Park JJ, Thi EP, Carpio VH, Bi Y, Cole AG, Dorsey BD, Fan K, Harasym T, Iott CL, Kadhim S, Kim JH, Lee ACH, Nguyen D, Paratala BS, Qiu R, White A, Lakshminarasimhan D, Leo C, Suto RK, Rijnbrand R, Tang S, Sofia MJ, Moore CB
Nat Commun 12 1222 (2021)
PMID: 33619272

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, C
Molecule details ›
Chains: A, B, C
Length: 129 amino acids
Theoretical weight: 14.81 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9NZQ7 (Residues: 18-134; Coverage: 43%)
Gene names: B7H1, CD274, PDCD1L1, PDCD1LG1, PDL1
Sequence domains: Immunoglobulin V-set domain

Ligands and Environments

1 bound ligand:
Ligand R81 2 x R81
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: C2221
Unit cell:
a: 99.003Å b: 172.173Å c: 80.585Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.177 0.228
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

14 review citations

Photodynamic Therapy for the Treatment and Diagnosis of Cancer-A Review of the Current Clinical Status.
Gunaydin et al. (2021)
13 more

2 mentions without citation

Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1.
Park et al. (2021)
1 more