Structure of PDB 8jzf Chain a Binding Site BS20

Receptor Information
>8jzf Chain a (length=670) Species: 2949 (Symbiodinium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IFRYINTTLWAKAGHFNKALSKGAKTTTWIWNLHDYAHDFDIQQRSTGLI
ARKVFSSNLAHLSLVFFWISGMHLHGAYLSNYDIWLKDPKSITPSSHLAY
SLIGQDILNSYTSEYFSGITITSGFFQLYRSEGIITQSQLKYACATSLIA
TLICLSGSYLHMQLMSKFTSFYKKFQSLSQDHLIIIFGSRSTSLSAHQIH
KMLPANPLLDSGISKPSILQVISNSLSYTLALFSTNLSSTGKLLNPSTRS
VFLSQVAAHHKTTGVVFITLGLIRFLTMYKSQFSILTSYIDYHIVLSINL
ALIASLSIIVADHLTRTPIYPHKSTSYPTILCLSIHHAWLSGFLIIGSGA
HASIFNLLGSPTSEIRHRDPIYSHLIWVCIAIGLHSFSLYCHNDTLEALG
RPEDIFHDNSIQLKAIFAKQSFLRAELQPDIEMLDKKIIRITQELGTADF
IVHHIHAFTIHVTLLILSKGVLYARNSRFVSDKLELGFTYPCDGPGRGGT
CQISPWDHLFSAVFWMYNCLNVVTFHYFWKMQSDVWGFVSIQKHISHYSQ
GDFSVNSITINGWLRNLLWSEASQVIQSYALSSICPYGFIFLIGHFIWAF
SLMFLFSGRAYWQELIESILWSHHKLKIIPHIQPRALSISQGRAVGFIHY
TLGGIGSTWAFIISRLLVLT
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 chain8jzf Chain a Residue 717 [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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PDB8jzf Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F189 L196 H261 H262 T265 L308 I311 V312 L316 I321 Y322
Binding residue
(residue number reindexed from 1)		F187 L194 H259 H260 T263 L306 I309 V310 L314 I319 Y320
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009507 chloroplast
GO:0009522 photosystem I
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:8jzf, PDBe:8jzf, PDBj:8jzf
PDBsum8jzf
PubMed38319970
UniProtA0A0A0N2S9

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