Structure of PDB 5yn3 Chain A Binding Site BS01

Receptor Information

>5yn3 Chain A (length=435) Species: 73868 (Piromyces sp. E2)

KEYFPQIQKIKFEGKDSKNPLAFHYYDAEKEVMGKKMKDWLRFAMAWWHT
LCAEGADQFGGGTKSFPWNEGTDAIEIAKQKVDAGFEIMQKLGIPYYCFH
DVDLVSEGNSIEEYESNLKAVVAYLKEKQKETGIKLLWSTANVFGHKRYM
NGASTNPDFDVVARAIVQIKNAIDAGIELGAENYVFWGGREGYMSLLNTD
QKREKEHMATMLTMARDYARSKGFKGTFLIEPKPMEPTKHQYDVDTETAI
GFLKAHNLDKDFKVNIEVNHATLAGHTFEHELACAVDAGMLGSIDANRGD
YQNGWDTDQFPIDQYELVQAWMEIIRGGGFVTGGTNFDAKTRRNSTDLED
IIIAHVSGMDAMARALENAAKLLQESPYTKMKKERYASFDSGIGKDFEDG
KLTLEQVYEYGKKNGEPKQTSGKQELYEAIVAMYQ

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 5yn3 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5yn3 Crystal Structure and Biochemical Characterization of Xylose Isomerase fromPiromycessp. E2.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): E233 E269 D297 D340
• Binding residue (residue number reindexed from 1): E231 E267 D295 D338
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H102 D105 W140 E233 K235 E269 H272 D297 D308 D310 D340
• Catalytic site (residue number reindexed from 1): H100 D103 W138 E231 K233 E267 H270 D295 D306 D308 D338
• Enzyme Commision number: 5.3.1.5: xylose isomerase.

Gene Ontology

Molecular Function

• 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
• GO:0044577 D-xylose catabolic process to ethanol

External links

• PDB: RCSB:5yn3, PDBe:5yn3, PDBj:5yn3
• PDBsum: 5yn3
• PubMed: 29385668
• UniProt: Q9P8C9