Structure of PDB 5glr Chain B Binding Site BS01

Receptor Information

>5glr Chain B (length=325) Species: 77133 (uncultured bacterium)

HMEPLVTHIYTADPSAHVFDGKVYIYPSHDIDAGTPENDMGDHFDMRDYH
VLSMNSIPGEVTDHGVALDIKDIPWAGRQLWAPDAASKDGKYYLYFPAKD
KEDIFRIGVAVSDSPAGPFKPESEPIKGSYSIDPAVFKDDDGKYYMYFGG
IWGGQLQRWTTGEYAGHDASKTDLEQDDAPAIGPRIALMSDDMLSFAEPV
KEISIVDEQGNPILGGDHDRRFFEAAWMHKYNGTYYLSYSTGDTHYIVYA
TGDNPYGPFTYRGVILNPVIGWTNHHSIVEFNGKWYLFYHDSSLSGGKTH
LRCIKVTELTHNADGTIETISPYIE

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: 5glr Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5glr Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): E81 D83 H87 W196 W316
• Binding residue (residue number reindexed from 1): E37 D39 H43 W152 W272
• 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:5glr, PDBe:5glr, PDBj:5glr
• PDBsum: 5glr
• PubMed: 28204531
• UniProt: A0A0H5BL38