Structure of PDB 2v08 Chain B Binding Site BS01

Receptor Information
>2v08 Chain B (length=84) Species: 32059 (Phormidium laminosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLATGAKVFSANCAACHAGGINLVNAEKTLKKEALEKFGMNSIVAITTQV
TNGKAGMPAFKGRLTDDQIAAVAAYVLDQAEKGW
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 chain2v08 Chain B Residue 1087 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2v08 Modulation of heme redox potential in the cytochrome c6 family.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N14 C15 C18 H19 N24 V26 K30 T31 L32 F40 M42 Q51 K56 G58 M59 P60 F62
Binding residue
(residue number reindexed from 1)		N12 C13 C16 H17 N22 V24 K28 T29 L30 F38 M40 Q49 K54 G56 M57 P58 F60
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:2v08, PDBe:2v08, PDBj:2v08
PDBsum2v08
PubMed17625855
UniProtF2Z292

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