Structure of PDB 3i8b Chain A Binding Site BS01

Receptor Information

>3i8b Chain A (length=506) Species: 367928 (Bifidobacterium adolescentis ATCC 15703)

SLRTLVAGVDTSTQSCKVRVTDAETGELVRFGQAKHPNGTSVDPSYWWSA
FQEAAEQAGGLDDVSALAVGGQQHGMVILDNQGNVIRDAMLWNDTSSAPQ
AAALIEKLGAAPAQDGEPEDPIARGKQRWVKAVGSSPVASYTLTKVAWVA
ENEPENVKKIAAICLPHDWLSWRIAGYGPVAEGEDAHLEALFTDRSDASG
TIYYDAASNEYRRDLIAMVLEAAEGAKAAQSHAEAIVLPTVLGPRDAAPV
KADPAIAGKNVEGGCLLAPGGGDNAMASLGLGMAVGDVSISLGTSGVAAA
ISENPTYDLTGAVSGFADCTGHYLPLACTINGSRILDAGRAALGVDYDEL
AKLAFASKPGANGITLVPYFDGERTPNRPNATATFSGMTLANTTRENLAR
AFVEGLLCSQRDCLELIRSLGASITRILLIGGGAKSEAIRTLAPSILGMD
VTRPATDEYVAIGAARQAAWVLSGETEPPAWQLTIDGVETGEPTEAVYEA
YAKARG

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: 3i8b Chain A Residue 515

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3i8b The crystal structure of xylulose kinase from Bifidobacterium adolescentis
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E189 L191 T240
• Binding residue (residue number reindexed from 1): E189 L191 T240
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.17: xylulokinase.

Gene Ontology

Molecular Function

• GO:0004856 D-xylulokinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0016773 phosphotransferase activity, alcohol group as acceptor
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0005997 xylulose metabolic process
• GO:0005998 xylulose catabolic process
• GO:0016310 phosphorylation
• GO:0042732 D-xylose metabolic process
• GO:0046835 carbohydrate phosphorylation

External links

• PDB: RCSB:3i8b, PDBe:3i8b, PDBj:3i8b
• PDBsum: 3i8b
• UniProt: A1A0I0