Structure of PDB 6jlu Chain v Binding Site BS01
Receptor Information
>6jlu Chain v (length=137) [
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IDLDEATRTVVVDNAGNTTVLTPEQVKRGKRLFNATCGACHVGGITKTNP
NVGLDPEALSLATPRRDNINALVDYIKNPTTYDGLESIAEVHPSIKSADI
YPRMRSLTDEDLYSIAGHIMLSPKIASEKWGGGKIYY
Ligand information
Ligand ID
HEM
InChI
InChI=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-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(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 3.385
CC1=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 12.01
C=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
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
6jlu Chain v Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
6jlu
The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.
Resolution
3.02 Å
Binding residue
(original residue number in PDB)
C37 C40 H41 T46 T48 N49 V52 G53 L54 L59 Y75 I76 H92 P93
Binding residue
(residue number reindexed from 1)
C37 C40 H41 T46 T48 N49 V52 G53 L54 L59 Y75 I76 H92 P93
Annotation score
4
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:6jlu
,
PDBe:6jlu
,
PDBj:6jlu
PDBsum
6jlu
PubMed
31371578
UniProt
B6ZHF4
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