Structure of PDB 6rqf Chain K Binding Site BS02

Receptor Information
>6rqf Chain K (length=285) Species: 3562 (Spinacia oleracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPIFAQQGYENPREATGRIVCANCHLANKPVDIEVPQAVLPDTVFEAVVR
IPYDMQLKQVLANGKKGGLNVGAVLILPEGFELAPPDRISPEMKEKMGNL
SFQSYRPNKQNILVIGPVPGQKYSEITFPILAPDPATKKDVHFLKYPIYV
GGNRGRGQIYPDGSKSNNTVYNSTATGIVKKIVRKEKGGYEINIADASDG
REVVDIIPRGPELLVSEGESIKLDQPLTSNPNVGGFGQGDAEVVLQDPLR
IQGLLFFFASVILAQIFLVLKKKQFEKVQLSEMNF
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 chain6rqf Chain K Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rqf Cryo-EM structure of the spinach cytochrome b6f complex at 3.6 angstrom resolution.
Resolution3.58 Å
Binding residue
(original residue number in PDB)		Y1 P2 F4 C21 C24 H25 N70 G72 G155 R156 G157 I159 Y160
Binding residue
(residue number reindexed from 1)		Y1 P2 F4 C21 C24 H25 N70 G72 G155 R156 G157 I159 Y160
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:0009507 chloroplast
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane
GO:0042651 thylakoid membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6rqf, PDBe:6rqf, PDBj:6rqf
PDBsum6rqf
PubMed31723268
UniProtP16013|CYF_SPIOL Cytochrome f (Gene Name=petA)

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