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Crystal structure of the denr-mct-1 complex

Analyse Crystal structure of the denr-mct-1 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MS4
Type
protein
Length
227 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Malignant T-cell-amplified sequence 1; Density-regulated protein
UniProt
Q9ULC4, O43583
Ligands
NA, ZN
Pockets
2 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMalignant T-cell-amplified sequence 1protein18127% helix, 28% strandQ9ULC4
BDensity-regulated proteinprotein4648% helix, 4% strandO43583

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • ZN · Zinc ion · metal · chains B
  • PGE · Triethylene glycol · additive · 3 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1710.410.7923empty
2600.370.7913empty

Interfaces

1 interface between chains.

  • A–B · 856 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6MS4 · Crystal structure of the DENR-MCT-1 complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9ULC4 · AlphaFold monomer V2.0 prediction for malignant T-cell-amplified sequence 1 (Q9ULC4) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • O43583 · AlphaFold monomer V2.0 prediction for density-regulated protein (O43583) · a predicted model of the same protein · chain B against A, TM-score 0.90

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