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Xfel crystal structure of soybean ascorbate peroxidase compound II

Analyse Xfel crystal structure of soybean ascorbate peroxidase compound II in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BI1
Type
protein
Length
248 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ascorbate peroxidase
EC
1.11.1.11
UniProt
Q43758
Ligands
HEM, K
Pockets
1 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAscorbate peroxidase (EC 1.11.1.11)protein24854% helix, 2% strandQ43758

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • K · Potassium ion · metal · 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
14170.800.8842HEM

Compared structures

  • 7BI1 · XFEL crystal structure of soybean ascorbate peroxidase compound II · the same entry in another collection · chain A against A, TM-score 1.00

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