Structure of PDB 7yca Chain A Binding Site BS01

Receptor Information
>7yca Chain A (length=742) Species: 70448 (Ostreococcus tauri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKTVKIVVDRDPVPTSFEKWAKPGHFSRTLAKGPATTTWVWDLHADAHDF
DSHTTDLEDISRKVFSAHFGQLGVIFIWLSGMYFHGARFSNYEAWLSDPT
HIKPSAQVVWPIVGQEILNGDVGGGFQGVQITSGFFQLWRGSGITSELQL
YSTAIGALICAGLMFFAGWWHYHKAAPKLEWFQNVESMMNHHLAGLLGLG
SLAWAGHQIHIALPVNTLLDAGVDPKEIPLPHEFMLNRALMAELYPSFAK
GLTPFFTFNWTEYSDFLTFRGGLNPVTGGLWLTDMAHHHLAIAVLFLVAG
HQYRTNWGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHAQLAINLAL
MGSLSIIVSHHMYSMPPYPYLATDYGTQLSLFTHHMWIGGFCICGAAAHA
AIFMVRDYDPATNYNNVLDRVLRHRDAIISHLNWVCIFLGFHSFGLYIHN
DTMSALGRPQDMFSDTAIQLQPIFAQFVQHTHALAPELTAPTAAGSTSAS
WGGDIVAVGGKIAMMPISLGTSDFMVHHIHAFTIHVTVLILLKGVLFARS
SRLIPDKANLGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYNSISIVIFH
FSWKMQSDVWGSVTGNGVSHITGGNFAQSANTINGWLRDFLWAQSSQVIQ
SYGSALSAYGLIFLGAHFIWAFSLMFLFSGRGYWQELIESIVWAHNKLKV
APAIQPRALSITQGRAVGVAHYLLGGIATTWSFFLARIIAVG
Ligand information
Ligand IDCL0
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;+4/p-1/b34-26+;/t32-,33-,37+,41+,51+;/m1./s1
InChIKeyVIQFHHZSLDFWDU-DVXFRRMCSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@@H](C(=O)c8c7C)C(=O)OC)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C
OpenEye OEToolkits 1.7.6CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4c(C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N@@+]5[Mg]47[N@]8C(=CC1=[N@@+]27)C(=C9C(=O)[C@@H](C(=O)OC)C6=C89)C)c(C)c3C=C
FormulaC55 H72 Mg N4 O5
NameCHLOROPHYLL A ISOMER
ChEMBL
DrugBank
ZINC
PDB chain7yca Chain A Residue 802 [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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PDB7yca The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		I538 F541 Y600 S604 I605 F608 W645 S654 F672 H676 W679 T738 T739 F742
Binding residue
(residue number reindexed from 1)		I529 F532 Y591 S595 I596 F599 W636 S645 F663 H667 W670 T729 T730 F733
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0009055 electron transfer activity
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:0009535 chloroplast thylakoid membrane
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:7yca, PDBe:7yca, PDBj:7yca
PDBsum7yca
PubMed36951548
UniProtQ0P3K1|PSAA_OSTTA Photosystem I P700 chlorophyll a apoprotein A1 (Gene Name=psaA)

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