Structure of PDB 5fx8 Chain B Binding Site BS01

Receptor Information

>5fx8 Chain B (length=556) Species: 36778 (Gaeumannomyces avenae)

YTLPNNDPNQGARNASIARKRELFLYGPSTLGQTTFYPTGELGNNISARD
VLLWRQDAANQTATAYREANETFADITSRGGFKTLDDFALLYNGHWKESV
PEGISKGMLSNCTSDLLFSMERLSSNPYVLKRLHPTKDKLPFSVESKVVK
KLTATTLEALHKGGRLFLVDHSYQKKYTPQPGRYAAACQGLFYLDARSNQ
FLPLAIKTNVGVDLTYTPLDDKDDWLLAKIMFNNNDLFYSQMYHVLFHTI
PEIVHEAAFRTLSDRHPVMGVLNRLMYQAYAIRPVGGAVLFNPGGFWDQN
FGLPASAAIDFPGSVYAQGGGGFQAGYLEKDLRSRGLIGEDSGPRLPHFP
FYEDAHRLIGAIRRFMQAFVDSTYGGALLRDYELQNWIAEANGPAQVRDF
PAAPLRRRAQLVDVLTHVAWITGGAHHVMNQGSPVKFSGVLPLHPAALYA
PIPTAKLLAWLPNERQAVEQVSLLARFNRAQVGDRKQTVRDAFAAPDLLA
GNGPGYAAANARFVEDTGRISREIAGRGFDGKGLSQGMPFVWTALNPAVN
PFFLSV

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: 5fx8 Chain B Residue 1000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5fx8 Crystal Structure of Linoleate 13R-Manganese Lipoxygenase and an Adhesion Protein
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): H290 H294 H478 N482 V618
• Binding residue (residue number reindexed from 1): H244 H248 H426 N430 V556
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.13.11.-
  1.13.11.45: linoleate 11-lipoxygenase.

Gene Ontology

Molecular Function

• GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
• GO:0046872 metal ion binding

Biological Process

• GO:0034440 lipid oxidation

External links

• PDB: RCSB:5fx8, PDBe:5fx8, PDBj:5fx8
• PDBsum: 5fx8
• PubMed: 27313058
• UniProt: Q8X151|MNLOX_GAEAV Manganese lipoxygenase