Structure of PDB 8c29 Chain B Binding Site BS15

Receptor Information
>8c29 Chain B (length=485) Species: 3329 (Picea abies) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLPWYRVHTVVLNDPGRLISVHIMHTALVAGWAGSMTLYELAVFDPSDPV
LDPMWRQGMFVIPFMTRLGIKDSWTGWNITGETVINPGIWSYEGVAGAHI
MFSGLCFLAAIWHWVYWDLEIFCDERTGKLCLDLPKVFGIHLFLSGVACF
GFGAFHVTGLYGPGIWVSDPYGLTGKIQPVDPAWGAEGFDPFVPGGIASH
HIAAGILGILAGLFHLSVRPPQRLYVGLRMGNIETVLSSSIAAVFFAAFV
VAGTMWYGSATTPVELFGPTRYQWDQGYFQQEIDRRVRAGLAENLSLSEA
WSKIPEKLAFYDYIGNNPAKGGLFRAGAMDNGDGIAVGWLGHPIFKDKEG
NELFVRRMPTFFETFPVVLVDKEGIVKADVPFRRAESKYSVEQVGVTVEF
YGGGLDRVSFGDPAIVKKYARRAQLGEIFELDRATLKSDGVFRSSPRGWF
TFGHATFALLFFFGHIWHGARTLFRDVFAGIDPDL
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 chain8c29 Chain B Residue 615 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c29 Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and alpha-tocopherol.
Resolution2.785 Å
Binding residue
(original residue number in PDB)		H23 F103 L133 V138 I141 H142 L145
Binding residue
(residue number reindexed from 1)		H22 F102 L132 V137 I140 H141 L144
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
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Cellular Component
External links
PDB RCSB:8c29, PDBe:8c29, PDBj:8c29
PDBsum8c29
PubMed37550369
UniProtR4ZGX1

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