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Crystal Structure of HLA-B*37:01 in complex with NP338-L7S influenza peptide

Analyse Crystal Structure of HLA-B*37:01 in complex with NP338-L7S influenza peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MT4
Type
protein
Length
381 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.55
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
HLA class I histocompatibility antigen, B-37 alpha chain; Beta-2-microglobulin; NP338-L7S…
UniProt
P18463, P61769
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · resolution 1.55 · 3 distinct chains · 20% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class I histocompatibility antigen, B-37 alpha chainprotein27627% helix, 40% strandP18463
BBeta-2-microglobulinprotein960% helix, 51% strandP61769
CNP338-L7S peptideprotein90% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16200.690.7854empty
21890.490.7737empty
31260.400.7521empty
4690.380.7815empty

Interfaces

2 interfaces between chains.

  • A–B · 1205 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 969 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 6MT4 · Crystal structure of HLA-B*37:01 in complex with NP338-L7S influenza peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.98

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