Structure of PDB 8ire Chain c Binding Site BS01

Receptor Information
>8ire Chain c (length=455) Species: 32053 (Thermostichus vulcanus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSIFATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMT
LFELAHFIPEKPMYEQGLILIPHIATLGWGVGPGGEVVDTFPFFVVGVVH
LISSAVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVL
GIGALLLVAKAMFFGGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPF
GGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFGWARRAFIWSG
EAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFL
IRDQKLGANVGSAQGPTGLGKYLMRSPTGEIIFGGETMRFWDFRGPWLEP
LRGPNGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVN
FVSPRSWLATSHFVLAFFFLVGHLWHAGRARAAAAGFEKGIDRESEPVLS
MPSLD
Ligand information
Ligand IDOEX
InChIInChI=1S/Ca.4Mn.5O
InChIKeySEXWDHMBWJEXOJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn@]456
CACTVS 3.370O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn]456
OpenEye OEToolkits 1.7.0O1[Mn]O23[Mn]14O5[Ca]2O6[Mn]5O4[Mn]36
OpenEye OEToolkits 1.7.0O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O@@]6[Mn]5[O@]4[Mn]36
FormulaCa Mn4 O5
NameCA-MN4-O5 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8ire Chain a Residue 412 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ire Oxygen-evolving photosystem II structures during S1-S2-S3 transitions.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		E354 R357
Binding residue
(residue number reindexed from 1)		E336 R339
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
GO:0045156 electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0046872 metal ion binding
Biological Process
GO:0009767 photosynthetic electron transport chain
GO:0009772 photosynthetic electron transport in photosystem II
GO:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0005737 cytoplasm
GO:0009521 photosystem
GO:0009523 photosystem II
GO:0009579 thylakoid
GO:0016020 membrane
GO:0031676 plasma membrane-derived thylakoid membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ire, PDBe:8ire, PDBj:8ire
PDBsum8ire
PubMed38297122
UniProtD0VWR7|PSBC_THEVL Photosystem II CP43 reaction center protein (Fragment) (Gene Name=psbC)

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