Structure of PDB 7laf Chain B Binding Site BS02

Receptor Information
>7laf Chain B (length=655) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMAEFRVRVSTGEAFGAGTWDKVSVSIVGTRGESPPLPLTAGAEEDFQVT
LPEDVGRVLLLRVHKAAWFCRWFQLTPPGHLLFPCYQWLEGAGTLVLQEG
TAKVSWADHHPVLQQQRQEELQARQEMYQWKAYNPGWPHCLDEKTVEDLE
LNIKYSTAKNANFYLQAGSAFAEMKIKGLLDRKGLWRSLNEMKRIFNFRR
TPAAEHAFEHWQEDAFFASQFLNGLNPVLIRRCHYLPKNFPVTDAMVASV
LGPGTSLQAELEKGSLFLVDHGILSGIQTNVINGKPQFSAAPMTLLYQSP
GCGPLLPLAIQLSQTPGPNSPIFLPTDDKWDWLLAKTWVRNAEFSFHEAL
THLLHSHLLPEVFTLATLRQLPHCHPLFKLLIPHTRYTLHINTLARELLI
VPGQVVDRSTGIGIEGFSELIQRNMKQLNYSLLCLPEDIRTRGVEDIPGY
YYRDDGMQIWGAVERFVSEIIGIYYPSDESVQDDRELQAWVREIFSKGFL
NQESSGIPSSLETREALVQYVTMVIFTCSAKHAAVSAGQFDSCAWMPNLP
PSMQLPPPTSKGLATCEGFIATLPPVNATCDVILALWLLSKEPGDQRPLG
TYPDEHFTEEAPRRSIATFQSRLAQISRGIQERNQGLVLPYTYLDPPLIE
NSVSI
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain7laf Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7laf Kinetic and structural investigations of novel inhibitors of human epithelial 15-lipoxygenase-2.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		H373 H378 H553 I676
Binding residue
(residue number reindexed from 1)		H352 H357 H532 I655
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.-
1.13.11.33: arachidonate 15-lipoxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0016165 linoleate 13S-lipoxygenase activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0036403 arachidonate 8(S)-lipoxygenase activity
GO:0046872 metal ion binding
GO:0050473 arachidonate 15-lipoxygenase activity
GO:0051213 dioxygenase activity
GO:1990136 linoleate 9S-lipoxygenase activity
Biological Process
GO:0001676 long-chain fatty acid metabolic process
GO:0006629 lipid metabolic process
GO:0006644 phospholipid metabolic process
GO:0006690 icosanoid metabolic process
GO:0006915 apoptotic process
GO:0008285 negative regulation of cell population proliferation
GO:0010744 positive regulation of macrophage derived foam cell differentiation
GO:0019369 arachidonate metabolic process
GO:0019372 lipoxygenase pathway
GO:0030336 negative regulation of cell migration
GO:0030850 prostate gland development
GO:0030856 regulation of epithelial cell differentiation
GO:0032722 positive regulation of chemokine production
GO:0034440 lipid oxidation
GO:0035360 positive regulation of peroxisome proliferator activated receptor signaling pathway
GO:0043651 linoleic acid metabolic process
GO:0045618 positive regulation of keratinocyte differentiation
GO:0045786 negative regulation of cell cycle
GO:0045926 negative regulation of growth
GO:0051122 hepoxilin biosynthetic process
GO:0071926 endocannabinoid signaling pathway
GO:1901696 cannabinoid biosynthetic process
GO:2001303 lipoxin A4 biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0005912 adherens junction
GO:0005925 focal adhesion
GO:0016020 membrane
GO:0070062 extracellular exosome
GO:0070161 anchoring junction

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7laf, PDBe:7laf, PDBj:7laf
PDBsum7laf
PubMed34500187
UniProtO15296|LX15B_HUMAN Polyunsaturated fatty acid lipoxygenase ALOX15B (Gene Name=ALOX15B)

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