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Crystal structure of the human cytomegalovirus protein US2 bound to the MHC class I molecule HLA-A2/TAX

Analyse Crystal structure of the human cytomegalovirus protein US2 bound to the MHC… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1IM3
Type
protein
Length
1,916 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLA class I histocompatibility antigen, a-2 alpha chain; Beta-2-microglobulin; Human…
UniProt
P01892, P61769, P09713
Pockets
20 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 16% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, E, I, MHLA class I histocompatibility antigen, a-2 alpha chainprotein27527% helix, 40% strandP01892
B, F, J, NBeta-2-microglobulinprotein1000% helix, 49% strandP61769
C, G, K, OHuman T-cell lymphotropic virus type 1 tax peptideprotein90% helix, 0% strand—
D, H, L, PCytomegalovirus protein US2protein953% helix, 63% strandP09713

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16920.710.7865empty
26990.700.7870empty
37210.700.7768empty
46920.700.7769empty
52260.640.8336empty

Interfaces

23 interfaces between chains.

  • I–J · 1438 Ų buried · 22 hydrogen bonds · protein-protein
  • E–F · 1435 Ų buried · 22 hydrogen bonds · protein-protein
  • M–N · 1433 Ų buried · 23 hydrogen bonds · protein-protein
  • A–B · 1425 Ų buried · 22 hydrogen bonds · protein-protein
  • I–K · 857 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

  • 1IM3 · Crystal Structure of the human cytomegalovirus protein US2 bound to the MHC class I… · the same entry in another collection · chain P against P, TM-score 1.00

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