Structure of PDB 8jzf Chain a Binding Site BS26

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 724 [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)		D37 H40 D41 H295 L302 G349 H353 I356 F490 W508 L511 I650
Binding residue
(residue number reindexed from 1)		D35 H38 D39 H293 L300 G347 H351 I354 F488 W506 L509 I648
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

View graph for
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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