Structure of PDB 5gln Chain A Binding Site BS06

Receptor Information

>5gln Chain A (length=330) Species: 77133 (uncultured bacterium)

VPRGSHMEPLVTHIYTADPSAHVFDGKVYIYPSHDIDAGTPENDMGDHFD
MRDYHVLSMNSIPGEVTDHGVALDIKDIPWAGRQLWAPDAASKDGKYYLY
FPAKDKEDIFRIGVAVSDSPAGPFKPESEPIKGSYSIDPAVFKDDDGKYY
MYFGGIWGGQLQRWTTGEYAGHDASKTDLEQDDAPAIGPRIALMSDDMLS
FAEPVKEISIVDEQGNPILGGDHDRRFFEAAWMHKYNGTYYLSYSTGDTH
YIVYATGDNPYGPFTYRGVILNPVIGWTNHHSIVEFNGKWYLFYHDSSLS
GGKTHLRCIKVTELTHNADGTIETISPYIE

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: 5gln Chain A Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5gln Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D57 W125 A126 D177 E268 T317 H319 R346
• Binding residue (residue number reindexed from 1): D18 W86 A87 D138 E229 T278 H280 R307
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:5gln, PDBe:5gln, PDBj:5gln
• PDBsum: 5gln
• PubMed: 28204531
• UniProt: A0A0H5BL38