Structure of PDB 6w1t Chain V Binding Site BS01

Receptor Information
>6w1t 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 IDHEC
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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKeyHXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
FormulaC34 H34 Fe N4 O4
NameHEME C
ChEMBL
DrugBank
ZINC
PDB chain6w1t 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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PDB6w1t Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		A36 C37 C40 H41 T46 L52 D53 L54 L59 Y75 M76 Y82 I88 H92 P93 M104
Binding residue
(residue number reindexed from 1)		A36 C37 C40 H41 T46 L52 D53 L54 L59 Y75 M76 Y82 I88 H92 P93 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
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:6w1t, PDBe:6w1t, PDBj:6w1t
PDBsum6w1t
PubMed32434915
UniProtP0A386|CY550_THEVB Photosystem II extrinsic protein V (Gene Name=psbV)

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