Structure of PDB 5l6f Chain A Binding Site BS02

Receptor Information

>5l6f Chain A (length=473) Species: 573729 (Thermothelomyces thermophilus ATCC 42464)

AAIDECLKNAKVPVTARNSTEWKTDASPFNDRLPYTPAAIAKPATVEHIQ
AAVLCAAEVGVKANPKSGGHSYASFGLGGEDGHLVVELDRMYNVTLDPET
HIATVQPGARLGHIATVLYEEGKRAFSHGTCPGVGVGGHSLHGGFGFSSH
SHGLAVDWITSADVVLANGSLVTASETENPDLFWALRGAGSNFGIVASFR
FKTFAAPPNVTSYEINLPWTNSSNVVKGWGALQEWLLNGGMPEEMNMRVL
GNAFQTQLQGLYHGNASALKTAIQPLLALLDANLSSVQEHDWMEGFRHYA
YSGEIDITDPGYDQSETFYSKSLVTSALPPDVLERVAEYWIETANKVRRS
WYIIIDMYGGPNSAVTRVPPGAGSYAFRDPERHLFLYELYDRSFGPYPDD
GFAFLDGWVHAFTGGLDSSDWGMYINYADPGLDRAEAQEVYYRQNLDRLR
RIKQQLDPTELFYYPQAVEPAEV

Ligand information

• Ligand ID: XYP
• 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-KKQCNMDGSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-D-xylopyranose;
  beta-D-xylose;
  D-xylose;
  xylose
• ZINC: ZINC000001529215
• PDB chain: 5l6f Chain E Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5l6f Discovery of a Xylooligosaccharide Oxidase from Myceliophthora thermophila C1.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): W259 N262 G264
• Binding residue (residue number reindexed from 1): W235 N238 G240
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 1.1.3.-

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0050660 flavin adenine dinucleotide binding
• GO:0071949 FAD binding

External links

• PDB: RCSB:5l6f, PDBe:5l6f, PDBj:5l6f
• PDBsum: 5l6f
• PubMed: 27629413
• UniProt: G2QG48|XYLO_THET4 Xylooligosaccharide oxidase (Gene Name=xylO)