Structure of PDB 1n8q Chain A Binding Site BS02

Receptor Information
>1n8q Chain A (length=849) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHKIKGTVVLMRKNVLDVNSVTSVGGIIGQGLDLVGSTLDTLTAFLGRSV
SLQLISATKADANGKGKLGKATFLEGIITSLPTLGAGQSAFKINFEWDDG
SGIPGAFYIKNFMQTEFFLVSLTLEDIPNHGSIHFVCNSWIYNAKLFKSD
RIFFANQTYLPSETPAPLVKYREEELHNLRGDGTGERKEWERIYDYDVYN
DLGDPDKGENHARPVLGGNDTFPYPRRGRTGRKPTRKDPNSESRSNDVYL
PRDEAFGHLKSSDFLTYGLKSVSQNVLPLLQSAFDLNFTPREFDSFDEVH
GLYSGGIKLPTDIISKISPLPVLKEIFRTDGEQALKFPPPKVIQVSKSAW
MTDEEFAREMLAGVNPNLIRCLKDFPPRSKLDSQVYGDHTSQITKEHLEP
NLEGLTVDEAIQNKRLFLLDHHDPIMPYLRRINATSTKAYATRTILFLKN
DGTLRPLAIELSLPHPQGDQSGAFSQVFLPADEGVESSIWLLAKAYVVVN
DSCYHQLVSHWLNTHAVVEPFIIATNRHLSVVHPIYKLLHPHYRDTMNIN
GLARLSLVNDGGVIEQTFLWGRYSVEMSAVVYKDWVFTDQALPADLIKRG
MAIEDPSCPHGIRLVIEDYPYTVDGLEIWDAIKTWVHEYVFLYYKSDDTL
REDPELQACWKELVEVGHGDKKNEPWWPKMQTREELVEACAIIIWTASAL
HAAVNFGQYPYGGLILNRPTLSRRFMPEKGSAEYEELRKNPQKAYLKTIT
PKFQTLIDLSVIEILSRHASDEVYLGERDNPNWTSDTRALEAFKRFGNKL
AQIENKLSERNNDEKLRNRCGPVQMPYTLLLPSSKEGLTFRGIPNSISI
Ligand information
Ligand IDDHB
InChIInChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
InChIKeyYQUVCSBJEUQKSH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccc(O)c(O)c1
ACDLabs 10.04O=C(O)c1cc(O)c(O)cc1
OpenEye OEToolkits 1.5.0c1cc(c(cc1C(=O)O)O)O
FormulaC7 H6 O4
Name3,4-DIHYDROXYBENZOIC ACID
ChEMBLCHEMBL37537
DrugBankDB03946
ZINCZINC000000013246
PDB chain1n8q Chain A Residue 859 [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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PDB1n8q Lipoxygenase interactions with natural flavonoid, quercetin, reveal a complex with protocatechuic acid in its X-ray structure at 2.1 A resolution.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q514 H518 W519 H523 V566 I572 L773 I857
Binding residue
(residue number reindexed from 1)		Q506 H510 W511 H515 V558 I564 L765 I849
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H518 H523 H709 N713 I857
Catalytic site (residue number reindexed from 1) H510 H515 H701 N705 I849
Enzyme Commision number 1.13.11.58: linoleate 9S-lipoxygenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:1990136 linoleate 9S-lipoxygenase activity
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0031408 oxylipin biosynthetic process
GO:0034440 lipid oxidation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1n8q, PDBe:1n8q, PDBj:1n8q
PDBsum1n8q
PubMed14705020
UniProtP09186|LOX3_SOYBN Seed linoleate 9S-lipoxygenase-3 (Gene Name=LOX1.3)

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