Structure of PDB 4kvl Chain A Binding Site BS03

Receptor Information
>4kvl Chain A (length=610) Species: 4530 (Oryza sativa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVHPDLRDVFSKMSFFDKIGFLFIHAFDKRNLWHKVPVPIGLLYLNTRRT
LLEKYNLLAVGRSSHGALFDPKEFLYRTEDGKYNDPHNAEAGSQNTFFGR
NMEPVDQQDELMSPDPFVVATKLLARREYKDTGKQFNILAAAWIQFMVHD
WMDHMEDTGQIGITAPKEVANECPLKSFKFHPTKELPTNSDGIKIGHYNI
RTAWWDGSAVYGNNEERAEKLRTYVDGKLVIGDDGLLLHKENGVALSGDI
RNSWAGVSILQALFVKEHNAVCDAIKEEHPNLSDEELYRYAKLVTSAVIA
KVHTIDWTVELLKTKTMRAAMRANWYGLLGKKIKDTFGHIGGPILGGLVG
LKKPNNHGVPYSLTEEFTSVFRMHSLIPSTLKLRDPTGQPDANNSPPCLE
DIDIGEMIGLKGEEQLSKIGFEKQALSMGYQACGALELWNYPSFFRNLIP
QNLDGTNRSDRIDLAALEVYRDRERSVPRYNEFRRRLFLIPIKSWEDLTS
DKDAIETIRAIYGDDVEKLDLLVGLMAEKKIKGFAISETAFNIFILMASR
RLEADRFFTSNFNEETYTKKGMQWVKTTEGLRDVINRHYPEITAKWMKSS
SAFSVWDADY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4kvl Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kvl Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		D158 T210 W212 D214 S216
Binding residue
(residue number reindexed from 1)		D150 T202 W204 D206 S208
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q153 H157 V378 F379 H382 N550
Catalytic site (residue number reindexed from 1) Q145 H149 V370 F371 H374 N542
Enzyme Commision number 1.13.11.92: fatty acid alpha-dioxygenase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0016491 oxidoreductase activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0001561 fatty acid alpha-oxidation
GO:0006631 fatty acid metabolic process
GO:0006633 fatty acid biosynthetic process
GO:0006952 defense response
GO:0006979 response to oxidative stress
GO:0009627 systemic acquired resistance
GO:0009737 response to abscisic acid
GO:0009751 response to salicylic acid
GO:0031408 oxylipin biosynthetic process
GO:0034614 cellular response to reactive oxygen species
GO:0042742 defense response to bacterium
GO:0050832 defense response to fungus
GO:0071446 cellular response to salicylic acid stimulus
GO:0071732 cellular response to nitric oxide
GO:0098869 cellular oxidant detoxification
GO:1902609 (R)-2-hydroxy-alpha-linolenic acid biosynthetic process
Cellular Component
GO:0012511 monolayer-surrounded lipid storage body

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Biological Process
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Cellular Component
External links
PDB RCSB:4kvl, PDBe:4kvl, PDBj:4kvl
PDBsum4kvl
PubMed23934749
UniProtQ2QRV3|PIOX_ORYSJ Alpha-dioxygenase PIOX (Gene Name=PIOX)

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