Structure of PDB 6ly5 Chain a Binding Site BS04

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 804 [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)		H62 F64 I78 H82 Q85 W354 H355 L358 N361
Binding residue
(residue number reindexed from 1)		H47 F49 I63 H67 Q70 W339 H340 L343 N346
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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