Structure of PDB 8aws Chain A Binding Site BS01

Receptor Information

>8aws Chain A (length=386) Species: 1929 (Streptomyces rubiginosus)

NYQPTPEDRFTFGLWTVGWQGRDPFGDATRRALDPVESVRRLAELGAHGV
TFHDDDLIPFGSSDSEREEHVKRFRQALDDTGMKVPMATTNLFTHPVFKD
GGFTANDRDVRRYALRKTIRNIDLAVELGAETYVAWGGREGAESGGAKDV
RDALDRMKEAFDLLGEYVTSQGYDIRFAIEPKPNEPRGDILLPTVGHALA
FIERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQNG
IKYDQDLRFGAGDLRAAFWLVDLLESAGYSGPRHFDFKPPRTEDFDGVWA
SAAGCMRNYLILKERAAAFRADPEVQEALRASRLDELARPTAADGLQALL
DDRSAFEEFDVDAAAARGMAFERLDQLAMDHLLGAR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 8aws Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8aws Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
• Resolution: 2.26 Å
• Binding residue (original residue number in PDB): E181 E217 D245 D287
• Binding residue (residue number reindexed from 1): E180 E216 D244 D286
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.3.1.5: xylose isomerase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0009045 xylose isomerase activity
• GO:0016853 isomerase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0042732 D-xylose metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:8aws, PDBe:8aws, PDBj:8aws
• PDBsum: 8aws
• PubMed: 37185266
• UniProt: P24300|XYLA_STRRU Xylose isomerase (Gene Name=xylA)