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Crystal structure of the tetrameric beta-2 microglobulin DIMC20 mutant

Analyse Crystal structure of the tetrameric beta-2 microglobulin DIMC20 mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3TLR
Type
protein
Length
400 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-2-microglobulin
UniProt
P61769
Ligands
CD, NA
Pockets
7 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DBeta-2-microglobulinprotein1000% helix, 49% strandP61769

Ligands and binding sites

  • CD · Cadmium ion · metal · 10 copies · chains A, C, D, B
  • NA · Sodium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13450.600.7750CD
21010.390.7620empty
31030.380.7519empty
4870.370.7614empty
51100.360.7416CD

Interfaces

4 interfaces between chains.

  • B–D · 651 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 649 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 471 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 471 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 3TLR · Crystal Structure of the tetrameric Beta-2 microglobulin DIMC20 mutant · the same entry in another collection · chain D against D, TM-score 1.00
  • P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain A against A, TM-score 0.96

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