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The 1.80 ångström crystal structure of galactose oxidase variant with genetically incorporated F2-TYR272

Analyse The 1.80 ångström crystal structure of galactose oxidase variant with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XLS
Type
protein
Length
639 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galactose oxidase
EC
1.1.3.9
UniProt
P0CS93
Ligands
CU, CA
Pockets
3 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGalactose oxidase (EC 1.1.3.9)protein6394% helix, 42% strandP0CS93

Ligands and binding sites

  • CU · Copper (II) ion · metal · chains A
  • CA · Calcium ion · metal · chains A
  • ACT · Acetate ion · additive · 4 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12410.510.7533empty
21750.460.7532ACT, GOL
3570.320.7620empty

Modifications

Observed in the structure: 2 disulfide, 1 modified (disulfide, nonstandard).

Compared structures

  • 6XLS · The 1.80 Angstrom crystal structure of galactose oxidase variant with genetically… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0CS93 · AlphaFold monomer V2.0 prediction for galactose oxidase (P0CS93) · a predicted model of the same protein · chain A against A, TM-score 1.00

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