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Crystal structure and trimer-monomer transition of N-terminal domain of EHCABP1 from entamoeba histolytica

Analyse Crystal structure and trimer-monomer transition of N-terminal domain of EHCABP1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LI6
Type
protein
Length
257 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcium-binding protein
UniProt
P38505
Ligands
CA
Pockets
2 · best druggability 0.29

Structure

x-ray diffraction · 2 distinct chains · 64% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, G, JCalcium-binding proteinprotein6464% helix, 0% strandP38505
DCalcium-binding proteinprotein6563% helix, 0% strandP38505

Ligands and binding sites

  • CA · Calcium ion · metal · 8 copies · chains A, D, G, J

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
1610.290.7415empty
2640.290.7315empty

Interfaces

1 interface between chains.

  • D–G · 391 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 3LI6 · Crystal structure and trimer-monomer transition of N-terminal domain of EhCaBP1 from… · the same entry in another collection · chain J against J, TM-score 1.00
  • P38505 · AlphaFold monomer V2.0 prediction for calcium-binding protein (P38505) · a predicted model of the same protein · chain J against A, TM-score 0.45

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