Structure of PDB 8asp Chain a Binding Site BS46

Receptor Information
>8asp Chain a (length=740) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKVSVDNNPVPTSFEKWGKPGHFDRTLARGPKTTTWIWNLHANAHDFDSQ
TSDLEDVSRKIFSAHFGHLAVVFVWLSGMYFHGAKFSNYEGWLADPTHIK
PSAQVVWPIVGQGILNGDVGGGFHGIQITSGLFYLWRASGFTDSYQLYCT
AIGGLVMAALMLFAGWFHYHVKAPKLEWFQNVESMMNHHLAGLLGLGSLG
WAGHQIHVSMPINKLLDAGVAPKDIPLPHEFILEPSKMAELYPSFAQGLT
PFFTLNWGVYSDFLTFKGGLNPVTGGLWLSDTAHHHLAIAVLFIIAGHMY
RTNWGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHAQLAINLALLGS
LTIIVAQHMYAMPPYPYQAIDYATQLSLFTHHMWIGGFLIVGAGAHGAIF
MVRDYDPAKNVNNLLDRMLRHRDAIISHLNWVCIFLGFHSFGLYIHNDTM
RALGRPQDMFSDTAIQLQPIFAQWVQHLHTLAPGATAPNALATASYAFGG
ETIAVAGKVAMMPITLGTADFMVHHIHAFTIHVTALILLKGVLYARSSRL
VPDKANLGFRFPCDGPGRGGTCQVSGWDHVFLGLFWMYNSLSIVIFHFSW
KMQSDVWGTVSPDGSVTHVTLGNFAQSAITINGWLRDFLWAQAANVINSY
GSALSAYGIMFLAGHFVFAFSLMFLFSGRGYWQELIESIVWAHNKLNVAP
AIQPRALSIIQGRAVGVAHYLLGGIVTTWAFFLARSLSIG
Ligand information
Ligand ID45D
InChIInChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKeyFDSDTBUPSURDBL-DKLMTRRASA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C
CACTVS 3.385CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)CCC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C
OpenEye OEToolkits 1.9.2CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C
ACDLabs 12.01O=C2C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C(=O)CCC1(C)C)C)C)C)C)C)C(C)(C)CC2)C
OpenEye OEToolkits 1.9.2CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C
FormulaC40 H52 O2
Namebeta,beta-carotene-4,4'-dione;
Isomer of Canthaxanthin
ChEMBLCHEMBL1329004
DrugBank
ZINCZINC000017653971
PDB chain8asp Chain a Residue 856 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8asp The Ycf48 accessory factor occupies the site of the oxygen-evolving manganese cluster during photosystem II biogenesis.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F677 V678 V737 W740
Binding residue
(residue number reindexed from 1)		F666 V667 V726 W729
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:0005886 plasma membrane
GO:0009522 photosystem I
GO:0009579 thylakoid
GO:0016020 membrane
GO:0031676 plasma membrane-derived thylakoid membrane
GO:0042651 thylakoid membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8asp, PDBe:8asp, PDBj:8asp
PDBsum8asp
PubMed37542031
UniProtP29254|PSAA_SYNY3 Photosystem I P700 chlorophyll a apoprotein A1 (Gene Name=psaA)

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