Structure of PDB 4yuu Chain C2 Binding Site BS02

Receptor Information
>4yuu Chain C2 (length=444) Species: 2771 (Cyanidium caldarium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRSIESTGFAWWSGNARLINLSGKLLGAHVAHAGLIVFWTGAMTLFETSH
FIPEKPLYEQGMILLPHLATLGWGVAPGGEIVNTYPYFATGVIHLVSSAV
LGFGGIYHSIVGPDVLEDSFSFYDWNKMTTILGIHLILLGIGAFLLVIKA
LFIGGIYDTWAPGGGDIRFITNPTLNPAIIFSYLLKSPFGGEGWIVGVNN
MEDVIGGHIWIGVTCVIGGIWHILTRPFSWARRAFVWSGEAYLSYSLGAL
ALMGQTAAEYAWYNNTVYPSEFYGPTAAEASQAQAFTFLVRDQRLGANIA
STQGPTGLGKYLMRSPTGEVILGGETMRFWDLRAPWLEPLRSSNGLDLNK
IKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVNYVSPRSWLTTS
HFFLGFFIFIGHLWHAGRARAAAAGFEKGINRENEPVLSMRPLD
Ligand information
Ligand IDCLA
InChIInChI=1S/C55H73N4O5.Mg/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;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1
InChIKeyATNHDLDRLWWWCB-AENOIHSZSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
ACDLabs 12.01O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N@@]5C(=CC1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
FormulaC55 H72 Mg N4 O5
NameCHLOROPHYLL A
ChEMBL
DrugBankDB02133
ZINC
PDB chain4yuu Chain C2 Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yuu Novel Features of Eukaryotic Photosystem II Revealed by Its Crystal Structure Analysis from a Red Alga
Resolution2.77 Å
Binding residue
(original residue number in PDB)		G171 A172 L175 H237 M282 V296 Y297
Binding residue
(residue number reindexed from 1)		G142 A143 L146 H208 M253 V267 Y268
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
GO:0045156 electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0046872 metal ion binding
Biological Process
GO:0009767 photosynthetic electron transport chain
GO:0009772 photosynthetic electron transport in photosystem II
GO:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0005737 cytoplasm
GO:0009507 chloroplast
GO:0009521 photosystem
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:4yuu, PDBe:4yuu, PDBj:4yuu
PDBsum4yuu
PubMed26757821
UniProtQ9TM46|PSBC_CYACA Photosystem II CP43 reaction center protein (Gene Name=psbC)

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