Structure of PDB 4o79 Chain B Binding Site BS03

Receptor Information
>4o79 Chain B (length=211) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPIFMVVRVLGFIIAALVLTWTVHYRGGLALSSDNKDHIFNVHPVMMVIG
LILFNGEAMLAYKSVQGTKNLKKLVHLTLQLTAFILSLIGVWAALKFHID
KGIENFYSLHSWLGLACLFLFAFQWAAGFVTYWYPGGSRNSRASLMPWHV
FLGISIYALALVTATTGILEKVTFLQVNQVITRYSTEAMLVNTMGVLILI
LGGFVILGVVT
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 chain4o79 Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4o79 Structure and mechanism of a eukaryotic transmembrane ascorbate-dependent oxidoreductase
Resolution2.003 Å
Binding residue
(original residue number in PDB)		K77 K81 Y140 R150 A151
Binding residue
(residue number reindexed from 1)		K69 K73 Y132 R142 A143
Annotation score5
Enzymatic activity
Enzyme Commision number 7.2.1.3: ascorbate ferrireductase (transmembrane).
Gene Ontology
Molecular Function
GO:0000293 ferric-chelate reductase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0140571 transmembrane ascorbate ferrireductase activity
Biological Process
GO:0019852 L-ascorbic acid metabolic process
GO:0055085 transmembrane transport
Cellular Component
GO:0005794 Golgi apparatus
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4o79, PDBe:4o79, PDBj:4o79
PDBsum4o79
PubMed24449903
UniProtQ9SWS1|ACFR2_ARATH Transmembrane ascorbate ferrireductase 2 (Gene Name=CYB561B)

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