Structure of PDB 3vsv Chain A Binding Site BS02

Receptor Information

>3vsv Chain A (length=638)

MEYHVAKTGSDEGKGTLKDPFLTINKAASVAMAGDTIIVHEGVYREWVKP
KYKGLSDKRRITYKAAEGEKVVIKGSERIQSWQRVEGNVWRCQLPNSFFG
EFNPYKEEVFGDWLLTVNEKKHLGDVYLNGMSFYEVTNYEDLFNPQLRTE
VLDHWTQKIVPIKNAEQTKYVWYAEVDREKTTIYANFQGADPNEEFVEIN
VRRSCFYPVETGIDYITVKGFEMAHAATPWAPPTADQPGLIGPNWSKGWI
IEDNIIHDAKCSAISIGKEATTGNNYRSIRKDKPGYQYQLEAVFNAKRNG
WSKEKIGSHIIRNNTIYDCGQNAIVGHLGGVFSEIYNNHIYNIALKREFY
GHEIAGIKLHAAIDVQIHHNRIHDCSLGLWLDWEAQGTRVSKNLFYNNNR
DVFVEVSHGPYLVDHNILSSEYAIDNMSQGGAYINNLIAGKMNQRKVLNR
STQYHLPHSTEVAGFAFVYGGDDRFYNNIFIGKEGLENVGTSHYNNCTTS
LEEYIEKVNEVPGDLGEFERVEQPVYINKNAYFNGAEPFEKEKDNLVKKD
FDPKLAIIDEGDEVYLSLQLPDEFENIVGDIHSTKTLERVRIVDAEYESP
DGKELVLDTDYLDAKKPENSSIGPIALLKKGNNYIKVW

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: 3vsv Chain A Residue 702

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vsv The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485
• Resolution: 1.48 Å
• Binding residue (original residue number in PDB): K163 Y341 H373
• Binding residue (residue number reindexed from 1): K163 Y341 H373
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.37: xylan 1,4-beta-xylosidase.

Gene Ontology

Molecular Function

• GO:0016837 carbon-oxygen lyase activity, acting on polysaccharides

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:3vsv, PDBe:3vsv, PDBj:3vsv
• PDBsum: 3vsv
• PubMed: 22992047
• UniProt: A2ICH1