Structure of PDB 7oui Chain d Binding Site BS05
Receptor Information
>7oui Chain d (length=342) Species:
3702
(Arabidopsis thaliana) [
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EKDLFDIMDDWLRRDRFVFVGWSGLLLFPCAYFALGGWFTGTTFVTSWYT
HGLASSYLEGCNFLTAAVSTPANSLAHSLLLLWGPEAQGDFTRWCQLGGL
WAFVALHGAFALIGFMLRQFELARSVQLRPYNAIAFSGPIAVFVSVFLIY
PLGQSGWFFAPSFGVAAIFRFILFFQGFHNWTLNPFHMMGVAGVLGAALL
CAIHGATVENTLFEDGDGANTFRAFNPTQAEETYSMVTANRFWSQIFGVA
FSNKRWLHFFMLFVPVTGLWMSALGVVGLALNLRAYDFVSQEIRAAEDPE
FETFYTKNILLNEGIRAWMAAQDQPHENLIFPEEVLPRGNAL
Ligand information
Ligand ID
PHO
InChI
InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1
InChIKey
CQIKWXUXPNUNDV-RCBXBCQGSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
CCC1=C(c2cc3c(c(c([nH]3)cc4nc(c5c6c(c(c([nH]6)cc1n2)C)C(=O)C5C(=O)OC)C(C4C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C
CACTVS 3.370
CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C=C
ACDLabs 12.01
O=C(OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(\C=C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(=C5C)CC)C)C6C
OpenEye OEToolkits 1.7.6
CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C
CACTVS 3.370
CCc1c(C)c2cc3[nH]c(cc4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C=C
Formula
C55 H74 N4 O5
Name
PHEOPHYTIN A
ChEMBL
CHEMBL3349047
DrugBank
ZINC
PDB chain
7oui Chain a Residue 405 [
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Receptor-Ligand Complex Structure
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PDB
7oui
High-resolution model of Arabidopsis Photosystem II reveals the structural consequences of digitonin-extraction.
Resolution
2.79 Å
Binding residue
(original residue number in PDB)
W49 A122 L123 F126 Q130 N143 A146 F147 P150 L280
Binding residue
(residue number reindexed from 1)
W38 A111 L112 F115 Q119 N132 A135 F136 P139 L269
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.10.3.9
: photosystem II.
Gene Ontology
Molecular Function
GO:0003729
mRNA binding
GO:0005506
iron ion binding
GO:0005515
protein binding
GO:0009055
electron transfer activity
GO:0010242
oxygen evolving activity
GO:0016168
chlorophyll binding
GO:0016491
oxidoreductase activity
GO:0045156
electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0046872
metal ion binding
Biological Process
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:0009534
chloroplast thylakoid
GO:0009535
chloroplast thylakoid membrane
GO:0009536
plastid
GO:0009579
thylakoid
GO:0016020
membrane
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7oui
,
PDBe:7oui
,
PDBj:7oui
PDBsum
7oui
PubMed
34330992
UniProt
P56761
|PSBD_ARATH Photosystem II D2 protein (Gene Name=psbD)
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