Structure of PDB 6syu Chain A Binding Site BS02

Receptor Information

>6syu Chain A (length=402) Species: 107709 (Opitutus terrae)

HSAYTLPDPLVGADGTRVHDRATWQHRRRPELLQLFAREVYGRTPLGRPE
GMVFKVTTMEHAALGGAATRKEVTVRFGRDPNAPSMQLLLYVPNAVIARA
ERAPVFLGLNFYGNHTVHTDPAIALSARWIPAEAPNGANHRATEAARGSD
AQKWPVEQILARGYAVATVYCGDLCPDRPDGLNASVASWLDAAAGDQRAP
DAWGAIGVWAWGLSRALDYLETDPLVDASRVAVHGHSRLGKAALWAGAQD
DRFALVISNESGCGGAALSKRIHGETVARINTVFPHWFARNFRRYDDHEE
ALPVDQHELLALVAPRPLYVASAEDDDWADPRGEFLAVKAAEPVFRLFGQ
TGPSGEDVPRVNEPSGGALRYHIRPGPHGMTAQDWAFYLAFADEWLKSAL
PA

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: 6syu Chain C Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6syu Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components.
• Resolution: 1.33 Å
• Binding residue (original residue number in PDB): S218 G225
• Binding residue (residue number reindexed from 1): S188 G195
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:6syu, PDBe:6syu, PDBj:6syu
• PDBsum: 6syu
• PubMed: 31740581
• UniProt: B1ZMF4