Structure of PDB 1xyl Chain A Binding Site BS01

Receptor Information

>1xyl Chain A (length=386) Species: 1963 (Streptomyces olivochromogenes)

SYQPTPEDRFTFGLWTVGWQGRDPFGDATRPALDPVETVQRLAELGAHGV
TFHDDDLIPFGSSDTERESHIKRFRQALDATGMTVPMATTNLFTHPVFKD
GGFTANDRDVRRYALRKTIRNIDLAVELGAKTYVAWGGREGAESGAAKDV
RVALDRMKEAFDLLGEYVTSQGYDTRFAIKPKPNEPRGDILLPTVGHALA
FIERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQSG
IKYDQDLRFGAGDLRAAFWLVDLLESAGYEGPRHFDFKPPRTEDIDGVWA
SAAGCMRNYLILKERAAAFRADPEVQEALRASRLDELAQPTAADGVQELL
ADRTAFEDFDVDAAAARGMAFERLDQLAMDHLLGAR

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: 1xyl Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1xyl Role of the divalent metal ion in sugar binding, ring opening, and isomerization by D-xylose isomerase: replacement of a catalytic metal by an amino acid.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E216 H219 D254 D256
• Binding residue (residue number reindexed from 1): E216 H219 D254 D256
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): M87
• Catalytic site (residue number reindexed from 1): M87
• 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: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:1xyl, PDBe:1xyl, PDBj:1xyl
• PDBsum: 1xyl
• PubMed: 7906142
• UniProt: P15587|XYLA_STROL Xylose isomerase (Gene Name=xylA)