7OUN: Human PD-L1

Structure of human PD-L1 in complex with macrocyclic inhibitor. Determined by X-ray diffraction at 1.9 Å resolution. Released 15 Sept 2021.

Method: X-ray diffraction
Resolution: 1.9 Å
Organisms: Homo sapiens, synthetic construct
Chains: 2
Atoms: 1,098
Mol. weight: 16.49 kDa
Released: 15 Sept 2021

Explore 7OUN in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7OUN contains 4 α-helices and 12 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 4 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	22	1	1
β-strand	27-31	5	2
β-strand	36-41	6	1
β-strand	54-59	6	2
β-strand	62-68	7	2
β-strand	71-72	2	2
α-helix	79-81	3
β-strand	85-88	4	1
α-helix	89-94	6
β-strand	96-101	6	1
α-helix	106-108	3
β-strand	110-117	8	2
β-strand	121-131	11	2
α-helix	132-133	2

Chain B: 0 helices, 2 β-strands

Element	Residues	Length	Sheet
β-strand	3-5	3	3
β-strand	8-10	3	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Programmed cell death 1 ligand 1	A	protein	129	Homo sapiens	Q9NZQ7 (AlphaFold model)
macrocyclic peptide	B	protein	14	synthetic construct

Sequence of entity 1 (A), FASTA

>7OUN_1 Programmed cell death 1 ligand 1 (chains A)
NAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKV
QHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAA
ALEHHHHHH

Sequence of entity 2 (B), FASTA

>7OUN_2 macrocyclic peptide (chains B)
AFLFVIRDRVFRCG

Primary citation

Structural Characterization of a Macrocyclic Peptide Modulator of the PD-1/PD-L1 Immune Checkpoint Axis. Zyla, E., Musielak, B., Holak, T.A. et al. Molecules (2021) 26. DOI 10.3390/molecules26164848 · PubMed

Other PDB entries of the same protein (UniProt Q9NZQ7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5O45 0.99 Å, Structure of human PD-L1 in complex with inhibitor
8ALX 1.1 Å, Structure of human PD-L1 in complex with inhibitor
6NP9 1.27 Å, PD-L1 IgV domain V76T with fragment
9I0U 1.46 Å, Structure of human PD-L1 in complex with clinically evaluated inhibitor
6YCR 1.54 Å, Structure of human PD-L1 in complex with inhibitor
8AOK 1.6 Å, Complex of PD-L1 with VHH6
13DT 1.64 Å, Structure of FabS1CE2_P4a in complex with the N-terminal domain of PD-L1
7CZD 1.64 Å, Crystal structure of PD-L1 in complex with a VHH
5JDS 1.7 Å, Crystal structure of PD-L1 complexed with a nanobody at 1.7 Angstron resolution
5N2F 1.7 Å, Structure of PD-L1/small-molecule inhibitor complex
9QSM 1.75 Å, small molecule inhibitor in complex with PD-L1
8ZNL 1.77 Å, PD-L1 de novo designed binder with picomolar binding affinity

Browse structure collections

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