Structure of PDB 8xlp Chain d Binding Site BS07

Receptor Information
>8xlp Chain d (length=341) Species: 52970 (Rhodomonas salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGWFDLMDDWLKRDRFVFVGWSGLLLFPTSYLSIGGWFTGTTFVTSWYTH
GLASSYLEGCNFFTAAVSTPANSMGHSLLLLWGPEAQGDFTRWCQIGGLW
AFCALHGSFGLIGFCLRQFEIARLVGIRPYNAIAFSGPIAIFVSVFLMYP
LGQASWFFAPSLGVAAIFRFLLFIQGFHNFTLNPFHMMGVAGILGAALLC
AIHGATVQNTIFEDGDAANTFRAFTPTQAEETYSMVTANRFWSQIFGVAF
SNKRWLHFFMLFVPLAGLWTSAIGIVGLALNLRAYDFVSQELRAAEDPEF
ETFYTKNILLNEGIRSWMAAQDQPHENFIFPEEVLPRGNAL
Ligand information
Ligand IDPHO
InChIInChI=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
InChIKeyCQIKWXUXPNUNDV-RCBXBCQGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC1=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 3.370CCc1c(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 12.01O=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 1.7.6CCC1=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 3.370CCc1c(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
FormulaC55 H74 N4 O5
NamePHEOPHYTIN A
ChEMBLCHEMBL3349047
DrugBank
ZINC
PDB chain8xlp Chain d Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8xlp Structure of inactive Photosystem II associated with CAC antenna from Rhodomonas Salina
Resolution2.57 Å
Binding residue
(original residue number in PDB)		S43 W47 G120 F124 Q128 F145 P148 F152 L278
Binding residue
(residue number reindexed from 1)		S33 W37 G110 F114 Q118 F135 P138 F142 L268
Annotation score1
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009507 chloroplast
GO:0009523 photosystem II
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8xlp, PDBe:8xlp, PDBj:8xlp
PDBsum8xlp
PubMed
UniProtA6MVR3

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