Structure of PDB 4eid Chain A Binding Site BS01

Receptor Information
>4eid Chain A (length=93) Species: 32049 (Picosynechococcus sp. PCC 7002) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADAAAGAQVFAANCAACHAGGNNAVMPTKTLKADALKTYLAGYKDGSKSL
EEAVAYVVTNGQGAMPAFGGRLSDADIANVAAYIADQAENNKW
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 chain4eid Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4eid Atomic-resolution structure of reduced cyanobacterial cytochrome c6 with an unusual sequence insertion.
Resolution1.13 Å
Binding residue
(original residue number in PDB)		N13 C14 C17 H18 N23 V25 M26 K29 T30 L31 L36 Y39 L40 V58 Q62 M65 F68
Binding residue
(residue number reindexed from 1)		N13 C14 C17 H18 N23 V25 M26 K29 T30 L31 L36 Y39 L40 V58 Q62 M65 F68
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:4eid, PDBe:4eid, PDBj:4eid
PDBsum4eid
PubMed
UniProtO30881|CYC6_PICP2 Cytochrome c6 (Gene Name=petJ)

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