1. Complex: PD-1 in complex with ligand PD-L1

• CATH

• Resolution: 2.4 Å.

• Species: H. sapiens

2. Partner 1: Programmed cell death protein 1, PD-1, cluster of differentiation 279, CD279  

• structure length (residues): 118

• mutations: No

• Uniprot

• interacting residues: 64, 68, 126, 128, 132, 134.

3. Partner 2: Programmed death-ligand 1, PD-L1, cluster of differentiation 274, CD274, B7 homolog 1, B7-H1 

• structure length (residues): 115

• mutations: No

• Uniprot

• interacting residues: 54, 56, 115, 121, 123.

RCSB PDB - 4ZQK: Structure of PD-1 in complex with ligand PD-L1 

PD-1 and its ligand PD-L1 (310K, 37°C, 500 ns): random seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (311K, 38°C, 500 ns): random seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (312K, 39°C, 500 ns): random seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (313K, 40°C, 500 ns): random seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (310K, 37°C, 200 ns): random seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (311K, 38°C, 200 ns): random seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (312K, 39°C, 200 ns): random seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (313K, 40°C, 200 ns): random seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (310K, 37°C, 200 ns): random seed #3 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (311K, 38°C, 200 ns): random seed #3 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (312K, 39°C, 200 ns): random seed #3 >> RMSD, SASA, RMSF, Rg, H-bonds

PD-1 and its ligand PD-L1 (313K, 40°C, 200 ns): random seed #3 >> RMSD, SASA, RMSF, Rg, H-bonds