Structure of PDB 8djs Chain A Binding Site BS02

Receptor Information
>8djs Chain A (length=250) Species: 4558 (Sorghum bicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKSYPTVSAEYSEAVEKARQKLRALIAEKSCAPLMLRLAWHSAGTFDVS
SRTGGPFGTMKNPAELAHGANAGLDIAVRLLEPIKEEFPILSYADFYQLA
GVVAVEVTGGPQIPFHPGREDKPQPPPEGRLPDATKGSDHLRQVFGKQMG
LSDQDIVALSGGHTLGRCHKERSGFEGAWTSNPLVFDNSYFKELLSGDKE
GLLQLPSDKALLSDPAFRPLVDKYAADEKAFFEDYKEAHLKLSELGFADA
Ligand information
Ligand IDASC
InChIInChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
InChIKeyCIWBSHSKHKDKBQ-JLAZNSOCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH]1OC(=O)C(=C1O)O
OpenEye OEToolkits 1.5.0C(C(C1C(=C(C(=O)O1)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
CACTVS 3.341OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
ACDLabs 10.04O=C1OC(C(O)=C1O)C(O)CO
FormulaC6 H8 O6
NameASCORBIC ACID;
Vitamin C
ChEMBLCHEMBL196
DrugBankDB00126
ZINCZINC000100006770
PDB chain8djs Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8djs A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Resolution1.19 Å
Binding residue
(original residue number in PDB)		K30 C32 P34 L35 R172
Binding residue
(residue number reindexed from 1)		K30 C32 P34 L35 R172
Annotation score5
Enzymatic activity
Enzyme Commision number 1.11.1.11: L-ascorbate peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0016688 L-ascorbate peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0000302 response to reactive oxygen species
GO:0006979 response to oxidative stress
GO:0034599 cellular response to oxidative stress
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8djs, PDBe:8djs, PDBj:8djs
PDBsum8djs
PubMed36575825
UniProtC5WNL8

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