Structure of PDB 1ls9 Chain A Binding Site BS01

Receptor Information
>1ls9 Chain A (length=91) Species: 162068 (Cladophora glomerata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDAELLADGKKVFAGNCAACHLGGNNSVLADKTLKKDAIEKYLEGGLTLE
AIKYQVNNGKGAMPAWADRLDEDDIEAVSNYVYDQAVNSKW
Ligand information
Ligand IDHEM
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,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain1ls9 Chain A Residue 92 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ls9 Structural Basis for the Molecular Properties of Cytochrome C(6)
Resolution1.3 Å
Binding residue
(original residue number in PDB)		C17 C20 H21 N26 V28 K32 T33 L34 Q55 K60 A62 M63 P64 W66
Binding residue
(residue number reindexed from 1)		C17 C20 H21 N26 V28 K32 T33 L34 Q55 K60 A62 M63 P64 W66
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:0009543 chloroplast thylakoid lumen
GO:0009579 thylakoid

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ls9, PDBe:1ls9, PDBj:1ls9
PDBsum1ls9
PubMed12475218
UniProtP83391|CYC6_CLAGO Cytochrome c6 (Gene Name=petJ)

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