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Crystal structures of the murine class I major histocompatibility complex H-2DB in complex with the mutant TRP1-K8 peptide

Analyse Crystal structures of the murine class I major histocompatibility complex H-2DB… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MP1
Type
protein
Length
385 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TRP1-K8 peptide, beta-2-MICROGLOBULIN,H-2 class I histocompatibility antigen, D-B alpha…
EC
1.14.18.-
UniProt
P07147, P01887, P01899
Ligands
NAG
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATRP1-K8 peptide, beta-2-MICROGLOBULIN,H-2 class I histocompatibility antigen, D-B alpha chain, chimeric construct (EC 1.14.18.-)protein38519% helix, 42% strandP07147, P01887, P01899

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15560.680.7854empty
21540.510.7925empty
31110.480.8022empty

Modifications

Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 6MP1 · Crystal structures of the murine class I major histocompatibility complex H-2Db in… · the same entry in another collection · chain A against A, TM-score 1.00
  • P07147 · AlphaFold monomer V2.0 prediction for 5,6-dihydroxyindole-2-carboxylic acid oxidase… · a predicted model of the same protein · chain A against A, TM-score 0.26
  • P01887 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P01887) · a predicted model of the same protein · chain A against A, TM-score 0.25

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