Structure of PDB 1f1f Chain A Binding Site BS01

Receptor Information
>1f1f Chain A (length=88) Species: 129910 (Limnospira maxima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVAAGASVFSANCAACHMGGRNVIVANKTLSKSDLAKYLKGFDDDAVAAV
AYQVTNGKNAMPGFNGRLSPLQIEDVAAYVVDQAEKGW
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 chain1f1f Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1f1f Structures of cytochrome c-549 and cytochrome c6 from the cyanobacterium Arthrospira maxima.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		N13 C14 C17 H18 N23 K29 T30 L31 D35 Q54 K59 N60 A61 M62 F65
Binding residue
(residue number reindexed from 1)		N12 C13 C16 H17 N22 K28 T29 L30 D34 Q53 K58 N59 A60 M61 F64
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:1f1f, PDBe:1f1f, PDBj:1f1f
PDBsum1f1f
PubMed11478889
UniProtP00118|CYC6_LIMMA Cytochrome c6 (Gene Name=petJ)

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