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Crystal structure of yak lactoperoxidase using data obtained from crystals soaked in CACL2 at 2.73 a resolution

Analyse Crystal structure of yak lactoperoxidase using data obtained from crystals… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7C74
Type
protein
Length
595 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lactoperoxidase
UniProt
L8ICE9
Ligands
HEM, CA, CL
Pockets
6 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALactoperoxidaseprotein59537% helix, 10% strandL8ICE9

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • CA · Calcium ion · metal · chains A
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111740.810.82115HEM
22440.530.7630empty
31230.480.7926empty
41030.370.7527empty
5790.350.7518empty

Modifications

Observed in the structure: 7 disulfide, 2 cofactor (disulfide, heme attachment).

Compared structures

  • 7C74 · Crystal structure of yak lactoperoxidase using data obtained from crystals soaked in… · the same entry in another collection · chain A against A, TM-score 1.00

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