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MolNFT v1 · #164631 · protein

Improved high resolution structure of MHC class II complex

6T3Y · MHC class II alpha chain: “Improved high resolution structure of MHC class II complex”. X-ray diffraction, 3 pockets (best druggability 0.61). MolNFT v1 #164631 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6T3Y
Type
protein
Length
379 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MHC class II alpha chain; MHC class II beta chain 2
UniProt
Q4U5Z6, B5BSA0
Pockets
3 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 15% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMHC class II alpha chainprotein18314% helix, 49% strandQ4U5Z6
BMHC class II beta chain 2protein19616% helix, 43% strandB5BSA0

Ligands and binding sites

  • GOL · Glycerol · additive · 3 copies · chains A, B
  • ACT · Acetate ion · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12180.610.8133ACT
21570.420.7419empty
31090.380.7521empty

Interfaces

1 interface between chains.

  • A–B · 3070 Ų buried · 52 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 6T3Y · Improved High Resolution Structure of MHC Class II complex · the same entry in another collection · chain A against A, TM-score 1.00

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