Structure of PDB 4yuu Chain b1 Binding Site BS16

Receptor Information
>4yuu Chain b1 (length=503) Species: 2771 (Cyanidium caldarium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALPWYRVHTVVLNDPGRLISVHLMHTALVSGWAGSMALYELAVFDPSDPV
LNPMWRQGMFVMPFMARLGVTDSWGGWSITGESVSNPGLWSFEGVALTHI
VLSGLLFLASIWHWVYWDLDLFRDPRTLEPALDLPKVFGIHLVLSSLLCF
GFGAFHVTGLFGPGIWISDAYGLTGRIQSVAPAWGPEGFNPFNPGGIASH
HIAAGTVGILAGVFHLNVRPPQRLYRALRMGNIETVLSSSIAAVFFASFV
VSGTMWYGAASTPIELFGPTRYQWDSGYFQQEIEKRVEESLSNGLSLPEA
WSNIPDKLAFYDYIGNNPAKGGLFRAGPMNKGDGIAEAWLGHPVFQDKEG
HELIVRRMPAFFENFPIILVDKDGIIRADIPFRRAESKYSIEQVGVTCSF
YGGKLNNQSFKDASTVKKYARKAQFGEVFEFDRTILDSDGVFRSSPRGWF
TFGHANFALLFFFGHLWHGSRTLFRDVFAGIGAEVTEQVEFGVFQKVGDK
TTK
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 b1 Residue 620 [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)		W33 M37 Y40 G59 F61 A327 G328 W450
Binding residue
(residue number reindexed from 1)		W32 M36 Y39 G58 F60 A326 G327 W449
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
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:0009507 chloroplast
GO:0009521 photosystem
GO:0009523 photosystem II
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4yuu, PDBe:4yuu, PDBj:4yuu
PDBsum4yuu
PubMed26757821
UniProtO19928|PSBB_CYACA Photosystem II CP47 reaction center protein (Gene Name=psbB)

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