Structure of PDB 8wmj Chain A Binding Site BS44

Receptor Information
>8wmj Chain A (length=742) Species: 52970 (Rhodomonas salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVSITVDRDPVATSFEKWAQPGHFSRTLAKGPKTTTWIWNLHADVHDFD
SHTNSLEDISRKIFSAHFGQLSIIFLWLSGMYFHGARFSNYSAWLSNPTA
VKPSAQVVWPIVGQEVLNGDVGGGFQGVQVTSGFFQIWRSSGITSEVELY
WCALAGLIMSGLMIFAGWFHYHKAAPKLEWFQNAESMLNHHLSGLLGLGC
LSWAGHQIHVSLPVNKLLDAGVAPQEIPLPHEFLVNRDLMAQLYPSFSKG
LVPFFTLNWSEYSDFLTFKGGLNPVTGGLWLSDTAHHHLALAVLFIVAGH
MYRTNWGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHAQLAINLAML
GSVSIIVAHHMYAMPPYPYIATDYPTQLSIFTHHMWIGGFCVCGGAAHAG
IFMVRDYNPAQNYNNLLDRVIRHRDAIISHLNWICIFLGFHSFGLYIHND
TMRALGRTQDMFSDTAIQLKPVFAQWVQSIHTLAPGNTTPNALATASYAF
GGDVVAVGNKVAMMPISLGTADFMVHHIHAFTIHVTVLILLKGVLFSRNS
RLIPDKANLGFRFPCDGPGRGGTCQSSAWDSVFLGLFWMYNCISVVIFHF
SWKMQSDVWGTVQSDGTVTHITGGNFAQSAITINGWLRDFLWAQASQVIQ
SYGSALSAYGLIFLGAHFIWAFSLMFLFSGRGYWQELIESIVWAHNKLNV
APAIQPRALSITQGRAVGLAHYLLGGIGTTWAFFLARIISVG
Ligand information
Ligand IDPQN
InChIInChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
InChIKeyMBWXNTAXLNYFJB-NKFFZRIASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
CACTVS 3.341CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
FormulaC31 H46 O2
NamePHYLLOQUINONE;
VITAMIN K1;
2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE
ChEMBLCHEMBL1550
DrugBankDB01022
ZINCZINC000003831332
PDB chain8wmj Chain A Residue 844 [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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PDB8wmj Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		W50 M687 F688 S691 R693 W696 A720 L721 G726
Binding residue
(residue number reindexed from 1)		W40 M675 F676 S679 R681 W684 A708 L709 G714
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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8wmj, PDBe:8wmj, PDBj:8wmj
PDBsum8wmj
PubMed38734819
UniProtA6MVZ7

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