Structure of PDB 4h0j Chain E Binding Site BS01

Receptor Information
>4h0j Chain E (length=86) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADSVNGAKIFSANCASCHAGGKNLVQAQKTLKKADLEKYGMYSAEAIIAQ
VTNGKNACPAFKGRLKPEQIEDVAAYVLGKADADWK
Ligand information
Ligand IDHEC
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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKeyHXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
FormulaC34 H34 Fe N4 O4
NameHEME C
ChEMBL
DrugBank
ZINC
PDB chain4h0j Chain E Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4h0j The dynamic complex of cytochrome c6 and cytochrome f studied with paramagnetic NMR spectroscopy
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N13 C14 C17 H18 N23 V25 K29 T30 L31 Y39 Q50 V51 K55 N56 A57 C58 P59
Binding residue
(residue number reindexed from 1)		N13 C14 C17 H18 N23 V25 K29 T30 L31 Y39 Q50 V51 K55 N56 A57 C58 P59
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
GO:0046872 metal ion binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009579 thylakoid
GO:0031977 thylakoid lumen
GO:0031979 plasma membrane-derived thylakoid lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4h0j, PDBe:4h0j, PDBj:4h0j
PDBsum4h0j
PubMed24685428
UniProtP0A3X7|CYC6_NOSS1 Cytochrome c6 (Gene Name=petJ)

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