Structure of PDB 8eqm Chain d Binding Site BS07
Receptor Information
>8eqm Chain d (length=338) Species:
91464
(Synechococcus sp. PCC 7335) [
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WIKQLDDWLKRDRFVFIGWSGLLLFPCSFLAIGAWFTGTTFVTSWYTHGL
VSSYLEGCNFLTVAVSTPAESMGHSLLLLWGPEASGDFVRWCQIGGLWTF
TALHGVFGLIGFMLRQIEIARLVGIRPYNAIAFSAPIAVYCATFLIYPLG
QSSWFFGPGFGVSAIFRFLLFFQGFHNYTLNPFHMMGVTGVLGGALLCAI
HGATVQNTLFRDNQSKNTFKGFSTDQGEETYSMVTANRFWSQIFGIAFSN
KRWLHFFMLFVPVTGLWMSAIGMAGLAFNLRAYDFVSQEIRAAEDPEFET
FYTKNILLNEGLRAWLSEMDQPAKKFVFPDEVLPRGFS
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
8eqm Chain d Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
8eqm
Structure of a dimeric photosystem II complex from a cyanobacterium acclimated to far-red light.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
S41 W48 G118 G121 L122 F125 Q129 N142 A145 F146 P149 Y153 F173 G174 V276 L279
Binding residue
(residue number reindexed from 1)
S28 W35 G105 G108 L109 F112 Q116 N129 A132 F133 P136 Y140 F160 G161 V263 L266
Annotation score
1
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: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:0009523
photosystem II
GO:0009579
thylakoid
GO:0016020
membrane
GO:0031676
plasma membrane-derived thylakoid membrane
GO:0042651
thylakoid membrane
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:8eqm
,
PDBe:8eqm
,
PDBj:8eqm
PDBsum
8eqm
PubMed
36549647
UniProt
B4WKI3
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