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Crystal structure of mouse xyloside xylosyltransferase 1 complexed with manganese, product ligand and udp (product complex II)

Analyse Crystal structure of mouse xyloside xylosyltransferase 1 complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4WMK
Type
protein
Length
334 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Xyloside xylosyltransferase 1; Coagulation factor IX
EC
2.4.2.-, 3.4.21.22
UniProt
Q3U4G3, P00740
Ligands
UDP, XYS, BGC, MN, SO4
Pockets
2 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AXyloside xylosyltransferase 1 (EC 2.4.2.-)protein29946% helix, 19% strandQ3U4G3
DCoagulation factor IX (EC 3.4.21.22)protein350% helix, 6% strandP00740

Ligands and binding sites

  • UDP · Uridine-5'-diphosphate · ligand · chains A
  • XYS · alpha-D-xylopyranose · sugar · 2 copies · chains A
  • BGC · beta-D-glucopyranose · sugar · chains A, D
  • MN · Manganese (II) ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17210.760.8162BGC, XYS, UDP
2750.390.7815empty

Interfaces

1 interface between chains.

  • A–D · 639 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide, 1 glycan (disulfide, O-glycosylation).

Compared structures

  • 4WMK · Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q3U4G3 · AlphaFold monomer V2.0 prediction for xyloside xylosyltransferase 1 (Q3U4G3) · a predicted model of the same protein · chain A against A, TM-score 1.00
  • P00740 · AlphaFold monomer V2.0 prediction for coagulation factor IX (P00740) · a predicted model of the same protein · chain D against A, TM-score 0.43

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