Structure of PDB 4ixq Chain V Binding Site BS01

Receptor Information
>4ixq Chain V (length=137) Species: 197221 (Thermosynechococcus vestitus BP-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AELTPEVLTVPLNSEGKTITLTEKQYLEGKRLFQYACASCHVGGITKTNP
SLDLRTETLALATPPRDNIEGLVDYMKNPTTYDGEQEIAEVHPSLRSADI
FPKMRNLTEKDLVAIAGHILVEPKILGDKWGGGKVYY
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 chain4ixq 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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PDB4ixq Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature.
Resolution5.7 Å
Binding residue
(original residue number in PDB)		A62 C63 C66 H67 T74 N75 L78 D79 L85 Y101 M102 Y108 H118 P119
Binding residue
(residue number reindexed from 1)		A36 C37 C40 H41 T48 N49 L52 D53 L59 Y75 M76 Y82 H92 P93
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
View graph for
Cellular Component
External links
PDB RCSB:4ixq, PDBe:4ixq, PDBj:4ixq
PDBsum4ixq
PubMed23413188
UniProtP0A386|CY550_THEVB Photosystem II extrinsic protein V (Gene Name=psbV)

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