Structure of PDB 4o79 Chain B Binding Site BS02

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 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 B Residue 302 [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)		M67 Y70 K71 H84 L85 Q88 F129 Q132 W133 G136 M154 H157 G161
Binding residue
(residue number reindexed from 1)		M59 Y62 K63 H76 L77 Q80 F121 Q124 W125 G128 M146 H149 G153
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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