Structure of PDB 6jll Chain C Binding Site BS02

Receptor Information
>6jll Chain C (length=451) Species: 32053 (Thermostichus vulcanus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFEL
AHFIPEKPMYEQGLILIPHIATLGWGVGPGGEVVDTFPFFVVGVVHLISS
AVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGA
LLLVAKAMFFGGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPFGGEG
WIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFGWARRAFIWSGEAYL
SYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQ
KLGANVGSAQGPTGLGKYLMRSPTGEIIFGGETMRFWDFRGPWLEPLRGP
NGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVNFVSP
RSWLATSHFVLAFFFLVGHLWHAGRARAAAAGFEKGIDRESEPVLSMPSL
D
Ligand information
Ligand IDOEY
InChIInChI=1S/Ca.4Mn.O2.4O/c;;;;;1-2;;;;/q;;;;+1;-1;;;;
InChIKeyVXLJVOKMVCJEPF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3
CACTVS 3.385O1[Mn]O[O]23[Ca]O[Mn]2(O[Mn]1)O[Mn]3
CACTVS 3.385O1[Mn]O[O]23[Ca]O[Mn@]2(O[Mn]1)O[Mn]3
FormulaCa Mn4 O6
NameCA-MN4-O6 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6jll Chain A Residue 419 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jll An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		E354 R357
Binding residue
(residue number reindexed from 1)		E332 R335
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
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Cellular Component
External links
PDB RCSB:6jll, PDBe:6jll, PDBj:6jll
PDBsum6jll
PubMed31624207
UniProtD0VWR7|PSBC_THEVL Photosystem II CP43 reaction center protein (Fragment) (Gene Name=psbC)

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