Structure of PDB 5nhb Chain C Binding Site BS01

Receptor Information

>5nhb Chain C (length=435) Species: 73868 (Piromyces sp. E2)

KEYFPQIQKIKFEGKDSKNPLAFHYYDAEKEVMGKKMKDWLRFAMAWWHT
LCAEGADQFGGGTKSFPWNEGTDAIEIAKQKVDAGFEIMQKLGIPYYCFH
DVDLVSEGNSIEEYESNLKAVVAYLKEKQKETGIKLLWSTANVFGHKRYM
NGASTNPDFDVVARAIVQIKNAIDAGIELGAENYVFWGGREGYMSLLNTD
QKREKEHMATMLTMARDYARSKGFKGTFLIEPKPMEPTKHQYDVDTETAI
GFLKAHNLDKDFKVNIEVNHATLAGHTFEHELACAVDAGMLGSIDANRGD
YQNGWDTDQFPIDQYELVQAWMEIIRGGGFVTGGTNFDAKTRRNSTDLED
IIIAHVSGMDAMARALENAAKLLQESPYTKMKKERYASFDSGIGKDFEDG
KLTLEQVYEYGKKNGEPKQTSGKQELYEAIVAMYQ

Ligand information

• Ligand ID: FE2
• InChI: InChI=1S/Fe/q+2
• InChIKey: CWYNVVGOOAEACU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Fe+2]
  CACTVS 3.341: [Fe++]
• Formula: Fe
• Name: FE (II) ION
• DrugBank: DB14510
• PDB chain: 5nhb Chain C Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5nhb Metal Dependence of the Xylose Isomerase from Piromyces sp. E2 Explored by Activity Profiling and Protein Crystallography.
• Resolution: 2.4 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:5nhb, PDBe:5nhb, PDBj:5nhb
• PDBsum: 5nhb
• PubMed: 29045784
• UniProt: Q9P8C9