Structure of PDB 3a0h Chain A Binding Site BS01

Receptor Information
>3a0h Chain A (length=335) Species: 32053 (Thermostichus vulcanus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SANLWERFCNWVTSTDNRLYVGWFGVIMIPTLLAATICFVIAFIAAPPVD
IDGIREPVSGSLLYGNNIITGAVVPSSNAIGLHFYPIWEAASLDEWLYNG
GPYQLIIFHFLLGASCYMGRQWELSYRLGMRPWICVAYSAPLASAFAVFL
IYPIGQGSFSDGMPLGISGTFNFMIVFQAEHNILMHPFHQLGVAGVFGGA
LFCAMHGSLVTSSLIRETTETESANYGYKFGQEEETYNIVAAHGYFGRLI
FQYASFNNSRSLHFFLAAWRVVGVWFAALGISTMAFNLNGFNFNHSVIDA
KGNVINTWADIINRANLGMEVMHERNAHNFPLDLA
Ligand information
Ligand IDOEC
InChIInChI=1S/Ca.4Mn.4O
InChIKeyUFRGXNUNWYSFQE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385[Mn][O]12[Mn]O[Mn]O[Ca]1O[Mn]2
OpenEye OEToolkits 2.0.7[O@]12[Ca]3[O@]4[Mn]1O5[Mn]2O3([Mn]45)[Mn]
OpenEye OEToolkits 2.0.7O12[Ca]3O4[Mn]1O5[Mn]2O3([Mn]45)[Mn]
FormulaCa Mn4 O4
NameOXYGEN EVOLVING SYSTEM
ChEMBL
DrugBank
ZINC
PDB chain3a0h Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a0h Location of chloride and its possible functions in oxygen-evolving photosystem II revealed by X-ray crystallography
Resolution4.0 Å
Binding residue
(original residue number in PDB)		D170 E189 H332 E333 H337 D342 A344
Binding residue
(residue number reindexed from 1)		D161 E180 H323 E324 H328 D333 A335
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:0009523 photosystem II
GO:0009579 thylakoid
GO:0016020 membrane
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:3a0h, PDBe:3a0h, PDBj:3a0h
PDBsum3a0h
PubMed19433803
UniProtP51765|PSBA_THEVL Photosystem II protein D1 (Gene Name=psbA)

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