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Pd-L1 igv domain V76T with fragment

Analyse Pd-L1 igv domain V76T with fragment in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6NOJ
Type
protein
Length
251 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Programmed cell death 1 ligand 1
UniProt
Q9NZQ7
Ligands
KW7
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 17% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProgrammed cell death 1 ligand 1protein12517% helix, 42% strandQ9NZQ7
BProgrammed cell death 1 ligand 1protein12617% helix, 41% strandQ9NZQ7

Ligands and binding sites

  • KW7 · methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate · ligand · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11070.650.8923KW7
2530.310.7715empty
3650.310.7511empty
4540.290.7519empty

Interfaces

1 interface between chains.

  • A–B · 570 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6NOJ · PD-L1 IgV domain V76T with fragment · the same entry in another collection · chain A against A, TM-score 1.00

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