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Crystal structure of BchU complexed with S-adenosyl-L-homocysteine and Zn-bacteriopheophorbide d

Analyse Crystal structure of BchU complexed with S-adenosyl-L-homocysteine and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1X1D
Type
protein
Length
337 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.7
Source
Chlorobium tepidum
Molecule
CrtF-related protein
UniProt
Q8KGE0
Ligands
SAH, ZN, SO4
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · resolution 2.7 · 1 distinct chain · 48% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACrtF-related proteinprotein33748% helix, 15% strandQ8KGE0

Ligands and binding sites

  • SAH · S-adenosyl-L-homocysteine · ligand · chains A
  • ZN · Zinc ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111450.790.80100ZN, SAH

Compared structures

  • 1X1D · Crystal structure of bchu complexed with S-adenosyl-L-homocysteine and… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8KGE0 · AlphaFold monomer V2.0 prediction for bacteriochlorophyllide D C-20 methyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.99

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