Structure of PDB 6ly5 Chain a Binding Site BS24

Receptor Information
>6ly5 Chain a (length=742) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNVQIFVEKDAVETSFEKWSQPGHFSRTLAKGPKTTTWIWNLHADAHDFD
SQTNSLEEVSRKIFSAHFGQLAAIFLWISGMHFHGAYFSNYSAWLSDPIK
IKQSSQVVWPIVGQEILNADVGGNFQGVQTTSGWFQMWRAEGITSEVELY
WIAIGGLIMSALMLFAGWFHYHKAAPKLEWFQNAESMMNHHLAGLLGLGC
LSWSGHQIHIALPINKLLDAGVSPQEIPLPHEFLINRDLMAQLYPSFEKG
LTPFFSGQWGVYSDFLTFKGGLNPVTGGLWLSDIAHHHLALSVLFIIAGH
MYRTNWGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHAQLAINLAMI
GSLSIIVAHHMYAMPPYPYIATDYATQLSLFTHHMWIGGFCVVGGAAHGA
IFMVRDYTPANNYNNLLDRDLRHRDEIISNLNWVCIFLGCHAFGFYIHND
TMRALGRPQDMFSDKAIQLQPIFAQWIQNIHLLAPGTTAPNALATTSYAF
GGDIVEVGGKIAMMPIKLGTADFMVHHIHAFTIHVTVLILLKGVLYARSS
KLIPDKANLGFRFPCDGPGRGGTCQSSSWDHVFLGLFWMYNAISVVIFHF
SWKMQSDVWGTVTADGSISHITGGNFAQSSITINGWLRDFLWSQASQVIQ
SYGSASSAYGLIFLGAHFIWAFSLMFLFSGRGYWQELIESIVWAHNKLNF
APAIQPRALSITQGRAVGLAHYLLGGIGTTWAFFLARSLSIT
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 chain6ly5 Chain a Residue 824 [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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PDB6ly5 Structural basis for energy transfer in a huge diatom PSI-FCPI supercomplex.
Resolution2.38 Å
Binding residue
(original residue number in PDB)		F196 M202 M203 H206 Y347 L350 T351 S353 W354 Q357 I360 M364 I365
Binding residue
(residue number reindexed from 1)		F181 M187 M188 H191 Y332 L335 T336 S338 W339 Q342 I345 M349 I350
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:0009522 photosystem I
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:6ly5, PDBe:6ly5, PDBj:6ly5
PDBsum6ly5
PubMed33033236
UniProtA0A6J4B109

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