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Crystal structure of CA4-activated CARD1(D294N)

Analyse Crystal structure of CA4-activated CARD1(D294N) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XL1
Type
protein + RNA
Length
750 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CARD1; CA4
UniProt
F2NWD3
Ligands
MN
Pockets
3 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCARD1protein37344% helix, 23% strandF2NWD3
CCA4rna4——

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 4 copies · chains A, B
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains B

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
110210.770.7972empty
27660.690.76100MN
3550.280.7412empty

Interfaces

3 interfaces between chains.

  • A–B · 1773 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 591 Ų buried · 14 hydrogen bonds · protein-nucleic
  • B–C · 583 Ų buried · 14 hydrogen bonds · protein-nucleic

Compared structures

  • 6XL1 · crystal structure of cA4-activated Card1(D294N) · the same entry in another collection · chain A against A, TM-score 1.00

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