Structure of PDB 2dge Chain D Binding Site BS02

Receptor Information
>2dge Chain D (length=100) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTLDIQRGATLFNRACIGCHDTGGNIIQPGATLFTKDLERNGVDTEEEIY
RVTYFGKGRMPGFGEKCTPRGQCTFGPRLQDEEIKLLAEFVKFQADQGWP
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 chain2dge Chain D Residue 200 [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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PDB2dge Crystal structure of oxidized cytochrome c(6A) from Arabidopsis thaliana
Resolution1.5 Å
Binding residue
(original residue number in PDB)		A85 C86 C89 H90 N95 I97 A101 T102 L103 D107 L108 N111 T123 R129 M130 P131 F133
Binding residue
(residue number reindexed from 1)		A15 C16 C19 H20 N25 I27 A31 T32 L33 D37 L38 N41 T53 R59 M60 P61 F63
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:2dge, PDBe:2dge, PDBj:2dge
PDBsum2dge
PubMed16777100
UniProtQ93VA3|CYC6_ARATH Cytochrome c6, chloroplastic (Gene Name=PETJ)

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