Structure of PDB 6j40 Chain V Binding Site BS01

Receptor Information
>6j40 Chain V (length=136) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLDEATRTVVVDNAGNTTVLTPEQVKRGKRLFNATCGACHVGGITKTNPN
VGLDPEALSLATPRRDNISALVDYIKNPTTYDGLESIAEVHPSIKSADIY
PRMRSLTDEDLYSIAGHIMLSPKIASEKWGGGKIYY
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 chain6j40 Chain V Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6j40 Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		T36 C37 C40 H41 T48 N49 V52 G53 L54 L59 Y75 I76 I88 H92 P93 M104
Binding residue
(residue number reindexed from 1)		T35 C36 C39 H40 T47 N48 V51 G52 L53 L58 Y74 I75 I87 H91 P92 M103
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
Biological Process
GO:0015979 photosynthesis
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0009523 photosystem II
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:6j40, PDBe:6j40, PDBj:6j40
PDBsum6j40
PubMed31358960
UniProtB6ZHF4

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