Structure of PDB 4v82 Chain BV Binding Site BS01

Receptor Information
>4v82 Chain BV (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 chain4v82 Chain BV Residue 5201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4v82 Structural basis of cyanobacterial photosystem II Inhibition by the herbicide terbutryn
Resolution3.2 Å
Binding residue
(original residue number in PDB)		A5062 C5063 C5066 H5067 T5072 T5074 L5078 D5079 L5080 L5085 Y5101 M5102 Y5108 H5118 M5130
Binding residue
(residue number reindexed from 1)		A36 C37 C40 H41 T46 T48 L52 D53 L54 L59 Y75 M76 Y82 H92 M104
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
GO:0018063 cytochrome c-heme linkage
GO:0019684 photosynthesis, light reaction
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0009523 photosystem II
GO:0009579 thylakoid
GO:0016020 membrane
GO:0031676 plasma membrane-derived thylakoid membrane
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:4v82, PDBe:4v82, PDBj:4v82
PDBsum4v82
PubMed21367867
UniProtP0A386|CY550_THEVB Photosystem II extrinsic protein V (Gene Name=psbV)

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