Structure of PDB 4o79 Chain A Binding Site BS01

Receptor Information
>4o79 Chain A (length=210) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIFMVVRVLGFIIAALVLTWTVHYRGGLALSSDNKDHIFNVHPVMMVIGL
ILFNGEAMLAYKSVQGTKNLKKLVHLTLQLTAFILSLIGVWAALKFHIDK
GIENFYSLHSWLGLACLFLFAFQWAAGFVTYWYPGGSRNSRASLMPWHVF
LGISIYALALVTATTGILEKVTFLQVNQVITRYSTEAMLVNTMGVLILIL
GGFVILGVVT
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain4o79 Chain A Residue 301 [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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PDB4o79 Structure and mechanism of a eukaryotic transmembrane ascorbate-dependent oxidoreductase
Resolution2.003 Å
Binding residue
(original residue number in PDB)		W29 F48 H51 M55 L103 H106 N113 S116 H118 S119 G122 A168 T171 A172 G175 I176 E178
Binding residue
(residue number reindexed from 1)		W20 F39 H42 M46 L94 H97 N104 S107 H109 S110 G113 A159 T162 A163 G166 I167 E169
Annotation score1
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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