Structure of PDB 3d3l Chain B Binding Site BS01

Receptor Information

>3d3l Chain B (length=447) Species: 9606 (Homo sapiens)

WTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDD
ELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELRAQLEKELQNGSLFE
ADFILLDGIPAQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFL
PSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGL
HPIFKFLIPHIGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYA
HDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQ
DRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTM
RMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRMVPLGHHKEKYF
SGPKPKAVLNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVT

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 3d3l Chain B Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3d3l Crystal structure of the lipoxygenase domain of human Arachidonate 12-lipoxygenase, 12S-type.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): H360 H365 H540 N544
• Binding residue (residue number reindexed from 1): H178 H183 H329 N333
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H360 H365 H540 N544
• Catalytic site (residue number reindexed from 1): H178 H183 H329 N333
• Enzyme Commision number: 1.13.11.-
  1.13.11.31: arachidonate 12-lipoxygenase.
  1.13.11.33: arachidonate 15-lipoxygenase.
  3.3.2.-

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• 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:3d3l, PDBe:3d3l, PDBj:3d3l
• PDBsum: 3d3l
• UniProt: P18054|LOX12_HUMAN Polyunsaturated fatty acid lipoxygenase ALOX12 (Gene Name=ALOX12)