Structure of PDB 5koe Chain A Binding Site BS01

Receptor Information

>5koe Chain A (length=446) Species: 3702 (Arabidopsis thaliana)

DKLLGGLLASGFDEDSCLSRYQSVHYRKPSPYKPSSYLISKLRNYEKLHK
RCGPGTESYKKALKQLDQDGDGECKYVVWISFSGLGNRILSLASVFLYAL
LTDRVLLVDRGKDMDDLFCEPFLGMSWLLPLDFPMTDQFDGLNQESSRCY
GYMVKNQVIDLSHLYLHLVHDYGDHDKMFFCEGDQTFIGKVPWLIVKTDN
YFVPSLWLIPGFDDELNKLFPQKATVFHHLGRYLFHPTNQVWGLVTRYYE
AYLSHADEKIGIQVRVFDEDPGPFQHVMDQISSCTQKEKLLPEVDTLVEN
TPKHKAVLVTSLNAGYAENLKSMYWEYPTSTGEIIGVHQPSQEGYMHNGK
ALAEMYLLSLTDNLVTSAWSTFGYVAQGLGGLKPWILYRPENRTTPDPSC
GRAMSMEPCFHSPPFYDCKAKTGIDTGTLVPHVRHCEDISWGLKLV

Ligand information

• Ligand ID: XYS
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
• InChIKey: SRBFZHDQGSBBOR-LECHCGJUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
  CACTVS 3.341: O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: alpha-D-xylopyranose;
  alpha-D-xylose;
  D-xylose;
  xylose;
  XYLOPYRANOSE
• DrugBank: DB03389
• ZINC: ZINC000001529214
• PDB chain: 5koe Chain E Residue 5

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5koe Structural, mutagenic and in silico studies of xyloglucan fucosylation in Arabidopsis thaliana suggest a water-mediated mechanism.
• Resolution: 1.79 Å
• Binding residue (original residue number in PDB): K278 S524 P525 F527
• Binding residue (residue number reindexed from 1): K177 S412 P413 F415
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.-

Gene Ontology

Molecular Function

• GO:0008107 galactoside 2-alpha-L-fucosyltransferase activity

Biological Process

• GO:0042546 cell wall biogenesis

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:5koe, PDBe:5koe, PDBj:5koe
• PDBsum: 5koe
• PubMed: 28670741
• UniProt: Q9SWH5|FUT1_ARATH Galactoside 2-alpha-L-fucosyltransferase (Gene Name=FUT1)