Structure of PDB 7pin Chain a1 Binding Site BS01

Receptor Information
>7pin Chain a1 (length=336) Species: 3046 (Dunaliella salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENTSLWARFCEWITSTENRLYIGWFGVIMIPTLLTAISVYIIAFIAAPPV
DIDGIREPVSGSLLYGNNIITGAVVPTSNAIGLHFYPIWEAASLDEWLYN
GGPYQLVVCHFFLGVCCYMGREWELSYRLGMRPWIAVAYSAPVAAATAVF
IIYPIGQGSFSDGMPLGISGTFNFMIVFQAEHNILMHPFHMFGVAGVFGG
SLFSAMHGSLVTSSLIRETTENESANAGYKFGQEEETYNIVAAHGYFGRL
IFQYASFNNSRSLHFFLAVWPVVCIWLTALGISTMAFNLNGFNFNQSVVD
SNGRVLNTWADIINRANLGMEVMHERNAHNFPLDLA
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 chain7pin Chain a1 Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pin Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		Y161 Q165 D170 V185 E189 H332 E333 D342 A344
Binding residue
(residue number reindexed from 1)		Y153 Q157 D162 V177 E181 H324 E325 D334 A336
Annotation score1
Enzymatic activity
Enzyme Commision number 1.10.3.9: photosystem II.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0010242 oxygen evolving activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0016682 oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor
GO:0045156 electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0046872 metal ion binding
Biological Process
GO:0009635 response to herbicide
GO:0009772 photosynthetic electron transport in photosystem II
GO:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0009507 chloroplast
GO:0009523 photosystem II
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7pin, PDBe:7pin, PDBj:7pin
PDBsum7pin
PubMed36799903
UniProtD0FY08

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