Structure of PDB 8tow Chain a Binding Site BS01

Receptor Information
>8tow Chain a (length=334) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASLWEQFCQWVTSTNNRIYVGWFGTLMIPTLLTATTCFIIAFIAAPPVDI
DGIREPVAGSLLYGNNIISGAVVPSSNAIGLHFYPIWEAASLDEWLYNGG
PYQLVVFHFLIGIFCYMGRQWELSYRLGMRPWICVAYSAPVSAATAVFLI
YPIGQGSFSEGMPLGISGTFNFMIVFQAEHNILMHPFHMLGVAGVFGGSL
FSAMHGSLVTSSLVRETTEVESQNYGYKFGQEEETYNIVAAHGYFGRLIF
QYASFNNSRSLHFFLGAWPVIGIWFTAMGVSTMAFNLNGFNFNQSILDSQ
GRVIGTWADVLNRANIGFEVMHERNAHNFPLDLA
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 chain8tow Chain a Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tow Mutation-induced shift of the photosystem II active site reveals insight into conserved water channels.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		E170 E189 H332 E333 H337 D342 A344
Binding residue
(residue number reindexed from 1)		E160 E179 H322 E323 H327 D332 A334
Annotation score1
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:0046872 metal ion binding
Biological Process
GO:0009635 response to herbicide
GO:0015979 photosynthesis
Cellular Component
GO:0009523 photosystem II
GO:0009579 thylakoid
GO:0016020 membrane
GO:0030096 plasma membrane-derived thylakoid photosystem II
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:8tow, PDBe:8tow, PDBj:8tow
PDBsum8tow
PubMed38879008
UniProtP16033|PSBA2_SYNY3 Photosystem II protein D1 2 (Gene Name=psbA2)

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